Sample records for volatile sub stances

  1. An advanced hybrid reprocessing system based on UF{sub 6} volatilization and chromatographic separation

    SciTech Connect (OSTI)

    Wei, Yuezhou [Shanghai Jiao Tong University, 800 Dongchuan Rd., Shanghai 200240 (China); Tohoku University, Aoba-ku, Sendai 980-8578 (Japan); Liu, Ruiqin; Wu, Yan; Zu, Jianhua; Zhao, Long [Shanghai Jiao Tong University, 800 Dongchuan Rd., Shanghai 200240 (China); Mimura, Hitoshi [Tohoku University, Aoba-ku, Sendai 980-8578 (Japan); Shi, Weiqun; Chai, Zhifang [Institute of High Energy Physics, Chinese Academy of Science, Beijing 100049 (China); Yang, Jinling; Ding, Youqian [China Institute of Atomic Energy, Beijing 102413 (China)

    2013-07-01T23:59:59.000Z

    To recover U, Pu, MA (Np, Am, Cm) and some specific fission products FPs (Cs, Sr, Tc, etc.) from various spent nuclear fuels (LWR/FBR: Oxide, Metal Fuels), we are studying an advanced hybrid reprocessing system based on UF6 volatilization (Pyro) and chromatographic separation (Aqueous). Spent fuels are de-cladded by means of thermal and mechanical methods and then applied to the fluorination/volatilization process, which selectively recovers the most amount of U. Then, the remained fuel components are converted to oxides and dissolved by HNO{sub 3} solution. Compared to U, since Pu, MA and FPs are significantly less abundant in spent fuels, the scale of the aqueous separation process could become reasonably small and result in less waste. For the chromatographic separation processes, we have prepared different types of porous silica-based organic/inorganic adsorbents with fast diffusion kinetics, improved chemical stability and low pressure drop in a packed column. So they are advantageously applicable to efficient separation of the actinides and FP elements from the fuel dissolved solution. In this work, adsorption and separation behavior of representative actinides and FP elements was studied. Small scale separation tests using simulated and genuine fuel dissolved solutions were carried out to verify the feasibility of the proposed process. (authors)

  2. Master Thesis Validation of Interpersonal Stances

    E-Print Network [OSTI]

    Vellekoop, Michel

    , people recognized the stances expressed by the virtual humans when they show the behaviors technology, such as 3D animation, programming in 3D game engine and virtual reality head-mounted displayMaster Thesis Validation of Interpersonal Stances Expressed by Virtual Suspect Characters

  3. Investor-Voters and Electoral Volatility in Sub-Saharan Africa

    E-Print Network [OSTI]

    Asingo, Patrick Odhiambo

    2009-09-28T23:59:59.000Z

    is harmful if it permanently blocks some groups in the society from accessing power (Giliomee and Simkins, 1999). One can also argue that in the new and emerging democracies, low volatility can raise doubt about the quality of the elections. Understanding...

  4. volatility. atthemoney

    E-Print Network [OSTI]

    Lyuu, Yuh-Dauh

    volatility is lowest for at­the­money options. -- It becomes higher the further the option is in­ or out­of­the­money (concluded) . Suppose a year has 260 trading days. . A quick and dirty way is to replace # with a # # 365 260

  5. Gas phase photocatalytic degradation on TiO{sub 2} pellets of volatile chlorinated organic compounds from a soil vapor extraction well

    SciTech Connect (OSTI)

    Yamazaki-Nishida, S.; Read, H.W.; Nagano, J.K.; Anderson, M.A. [Wisconsin Univ., Madison, WI (United States). Water Chemistry Program; Cervera-March, S. [Barcelona Univ., (Spain). Department of Chemical Engineering; Jarosch, T.R.; Eddy-Dilek, C.A. [Westinghouse Savannah River Co., Aiken, SC (United States)

    1993-05-20T23:59:59.000Z

    The mineralization of trichloroethylene (TCE) and tetrachloroethylene (PCE) in gas stream from a soil vapor extraction (SVE) well was demonstrated with an annular photocatalytic reactor packed with porous TiO{sub 2} pellets in field trials at the Savannah River Site in Aiken, SC. The TiO{sub 2} pellets were prepared using a sol-gel method. The experiments were performed at 55 to 60{degree}C using space times of 10{sup 8} to 10{sup 10} g s/mol for TCE and PCE. Chloroform (CHCl{sub 3}) and carbon tetrachloride (CCl{sub 4}) were detected as minor products from side reactions. On a molar basis, CCl{sub 4} and CHCl{sub 3} produced were about 2% and 0.2 % of the reactants.

  6. Experimental studies of actinide volatilities with application to mixed waste oxidation processors

    SciTech Connect (OSTI)

    Krikorian, O.H.; Ebbinghaus, B.B.; Condit, R.H.; Adamson, M.G.; Fontes, A.S. Jr.; Fleming, D.L.

    1993-04-30T23:59:59.000Z

    The transpiration technique is used to measure volatilities of U from U{sub 3}O{sub 8}(s), Pu from PuO{sub 2}(s) and Pu and Am from PuO{sub 2}/2%AmO{sub 2}(s) in the presence of steam and oxygen at temperatures ranging from 900 to 1300{degree}C.

  7. Volatiles in protoplanetary disks

    E-Print Network [OSTI]

    Pontoppidan, Klaus M; Bergin, Edwin A; Brittain, Sean; Marty, Bernard; Mousis, Olvier; Oberg, Karin L

    2014-01-01T23:59:59.000Z

    Volatiles are compounds with low sublimation temperatures, and they make up most of the condensible mass in typical planet-forming environments. They consist of relatively small, often hydrogenated, molecules based on the abundant elements carbon, nitrogen and oxygen. Volatiles are central to the process of planet formation, forming the backbone of a rich chemistry that sets the initial conditions for the formation of planetary atmospheres, and act as a solid mass reservoir catalyzing the formation of planets and planetesimals. This growth has been driven by rapid advances in observations and models of protoplanetary disks, and by a deepening understanding of the cosmochemistry of the solar system. Indeed, it is only in the past few years that representative samples of molecules have been discovered in great abundance throughout protoplanetary disks - enough to begin building a complete budget for the most abundant elements after hydrogen and helium. The spatial distributions of key volatiles are being mapped...

  8. Realized Stock Volatility 2.1 Introduction

    E-Print Network [OSTI]

    Niebur, Ernst

    Chapter 2 Realized Stock Volatility 2.1 Introduction Financial market volatility is indispensable for asset and derivative pricing, asset allocation, and risk management. As volatility is not a directly is to calculate the daily volatility from the sample variance of intraday returns, the `realized' volatility

  9. CALIBRATION OF VOLATILITY SURFACES Stphane CRPEY

    E-Print Network [OSTI]

    Printems, Jacques

    CALIBRATION OF VOLATILITY SURFACES Stéphane CR�PEY Université d'�vry & ARTABEL SA GT MATHFI Calibration, 5 June 2003 Figure 1: Volatility Smile #12;GT MATHFI Calibration 5 June 2003 1 Basics CR�PEY Page 1 #12;GT MATHFI Calibration 5 June 2003 Smile of implied volatility Stochastic volatility d

  10. Role of SrMoO{sub 4} in Sr{sub 2}MgMoO{sub 6} synthesis

    SciTech Connect (OSTI)

    Vasala, S.; Yamauchi, H. [Laboratory of Inorganic Chemistry, Department of Chemistry, School of Chemical Technology, Aalto University, P.O. Box 16100, FI-00076 Aalto (Finland); Karppinen, M., E-mail: maarit.karppinen@aalto.f [Laboratory of Inorganic Chemistry, Department of Chemistry, School of Chemical Technology, Aalto University, P.O. Box 16100, FI-00076 Aalto (Finland)

    2011-05-15T23:59:59.000Z

    Here we investigate the elemental and phase compositions during the solid-state synthesis of the promising SOFC-anode material, Sr{sub 2}MgMoO{sub 6}, and demonstrate that molybdenum does not notably evaporate under the normal synthesis conditions with temperatures up to 1200 {sup o}C due to the formation of SrMoO{sub 4} as an intermediate product at low temperatures, below 600 {sup o}C. However, partial decomposition of the Sr{sub 2}MgMoO{sub 6} phase becomes evident at the higher temperatures ({approx}1500 {sup o}C). The effect of SrMoO{sub 4} on the electrical conductivity of Sr{sub 2}MgMoO{sub 6} is evaluated by preparing a series of Sr{sub 2}MgMoO{sub 6} samples with different amounts of additional SrMoO{sub 4}. Under the reducing operation conditions of an SOFC anode the insulating SrMoO{sub 4} phase is apparently reduced to the highly conductive SrMoO{sub 3} phase. Percolation takes place with 20-30 wt% of SrMoO{sub 4} in a Sr{sub 2}MgMoO{sub 6} matrix, with a notable increase in electrical conductivity after reduction. Conductivity values of 14, 60 and 160 S/cm are determined at 800 {sup o}C in 5% H{sub 2}/Ar for the Sr{sub 2}MgMoO{sub 6} samples with 30, 40 and 50 wt% of added SrMoO{sub 4}, respectively. -- Graphical abstract: SrMoO{sub 4} is formed at low temperatures during the synthesis of Sr{sub 2}MgMoO{sub 6}, which prevents the volatilization of Mo from typical precursor mixtures of this promising SOFC anode material. SrMoO{sub 4} is insulating and it is often found as an impurity in Sr{sub 2}MgMoO{sub 6} samples. It is however readily reduced to highly conducting SrMoO{sub 3}. Composites of Sr{sub 2}MgMoO{sub 6} and SrMoO{sub 3} show increased electrical conductivities compared to pure Sr{sub 2}MgMoO{sub 6} under the reductive operation conditions of an SOFC anode. Display Omitted Highlights: {yields} Sr{sub 2}MgMoO{sub 6} is a promising SOFC anode material. {yields} During the Sr{sub 2}MgMoO{sub 6} synthesis SrMoO{sub 4} is formed at low temperatures. {yields} Formation of SrMoO{sub 4} effectively prevents volatilization of Mo at high temperatures. {yields} Insulating SrMoO{sub 4} reduces to highly conductive SrMoO{sub 3} under SOFC-anode conditions. {yields} Composites of Sr{sub 2}MgMoO{sub 6} and SrMoO{sub 3} show high electrical conductivities.

  11. Characteristics of the volatile organic compounds -- Arid Integrated Demonstration Site

    SciTech Connect (OSTI)

    Last, G.V.; Lenhard, R.J.; Bjornstad, B.N.; Evans, J.C.; Roberson, K.R.; Spane, F.A.; Amonette, J.E.; Rockhold, M.L.

    1991-10-01T23:59:59.000Z

    The Volatile Organic Compounds -- Arid Integrated Demonstration Program (VOC-Arid ID) is targeted at demonstration and testing of technologies for the evaluation and cleanup of volatile organic compounds and associated contaminants at arid DOE sites. The initial demonstration site is an area of carbon tetrachloride (CCl{sub 4}) contamination located near the center of the Hanford Site. The movement of CCl{sub 4} and other volatile organic contaminants in the subsurface is very complex. The problem at the Hanford Site is further complicated by the concurrent discharge of other waste constituents including acids, lard oil, organic phosphates, and transuranic radionuclides. In addition, the subsurface environment is very complex, with large spatial variabilities in hydraulic properties. A thorough understanding of the problem is essential to the selection of appropriate containment, retrieval, and/or in situ remedial technologies. The effectiveness of remedial technologies depends on knowing where the contaminants are, how they are held up in a given physical and chemical subsurface environment; and knowing the physical, chemical, and microbiological changes that are induced by the various remedial technologies.

  12. Volatility in natural gas and oil markets

    E-Print Network [OSTI]

    Pindyck, Robert S.

    2003-01-01T23:59:59.000Z

    Using daily futures price data, I examine the behavior of natural gas and crude oil price volatility since 1990. I test whether there has been a significant trend in volatility, whether there was a short-term increase in ...

  13. NoVaS Transformations: Flexible Inference for Volatility Forecasting

    E-Print Network [OSTI]

    Politis, Dimitris N; Thomakos, Dimitrios D

    2008-01-01T23:59:59.000Z

    NoVaS Transformations: Flexible Inference for VolatilityNoVaS Transformations: Flexible Inference for Volatility

  14. Commodity Price Volatility and the Sources of Growth

    E-Print Network [OSTI]

    Cavalcanti, Tiago V. de V.; Mohaddes, Kamiar; Raissi, Mehdi

    2011-01-26T23:59:59.000Z

    -2000, show that higher levels of exchange rate volatility can stunt growth, especially in countries with thin capital markets. Bleaney and Greenaway (2001) estimate a panel data model for a sample of 14 sub-Saharan African countries over 1980-1995 and show... countries, we set t0 to this year.5 Furthermore, we assume a depreciation rate, #14;, of six percent and compute the subsequent values of the capital stock as: Kit = (1#0; #14;)Kit#0;1 + Iit: (6) 3.3 Human Capital Stock To calculate the level of human...

  15. Moment Methods for Exotic Volatility Derivatives

    E-Print Network [OSTI]

    Albanese, Claudio

    2007-01-01T23:59:59.000Z

    The latest generation of volatility derivatives goes beyond variance and volatility swaps and probes our ability to price realized variance and sojourn times along bridges for the underlying stock price process. In this paper, we give an operator algebraic treatment of this problem based on Dyson expansions and moment methods and discuss applications to exotic volatility derivatives. The methods are quite flexible and allow for a specification of the underlying process which is semi-parametric or even non-parametric, including state-dependent local volatility, jumps, stochastic volatility and regime switching. We find that volatility derivatives are particularly well suited to be treated with moment methods, whereby one extrapolates the distribution of the relevant path functionals on the basis of a few moments. We consider a number of exotics such as variance knockouts, conditional corridor variance swaps, gamma swaps and variance swaptions and give valuation formulas in detail.

  16. Hydrides of CeNi/sub 5/, MmNi/sub 5/, Ca/sub 0/ /sub 2/(Ce/sub 0/ /sub 65/Mm/sub 0/ /sub 35/)/sub 0/ /sub 8/Ni/sub 5/, Ca/sub 0/ /sub 2/Ce/sub 0/ /sub 8/Ni/sub 5/, Ca/sub 0/ /sub 2/Mm/sub 0/ /sub 8/Ni/sub 5/, and mixed CeNi/sub 5//MmNi/sub 5/

    SciTech Connect (OSTI)

    Lakner, J.F.; Chow, T.S.

    1982-09-01T23:59:59.000Z

    Six intermetallic alloys (CeNi/sub 5/, MmNi/sub 5/, Ca/sub 0/ /sub 2/(Ce/sub 0/ /sub 65/Mm/sub 0/ /sub 35/)/sub 0/ /sub 8/Ni/sub 5/, Ca/sub 0/ /sub 2/Ce/sub 0/ /sub 8/Ni/sub 5/, Ca/sub 0/ /sub 2/Mm/sub 0/ /sub 8/Ni/sub 5/, and a mixed alloy, CeNi/sub 5//MmNi/sub 5/) were investigated with respect to their suitability to provide high hydrogen capacity and their potential for use in providing substantial hydrogen pressure at both low and high temperatures. A second phase of our investigation dealt with ball-milling and hydriding and dehydriding cycles to produce fine particles for use in hydride powder transfer studies. A summary of several Van't Hoff plots is also included for hydride-forming alloys.

  17. Volatile organic compound sensor system

    DOE Patents [OSTI]

    Schabron, John F. (Laramie, WY); Rovani, Jr., Joseph F. (Laramie, WY); Bomstad, Theresa M. (Laramie, WY); Sorini-Wong, Susan S. (Laramie, WY)

    2009-02-10T23:59:59.000Z

    Generally, this invention relates to the development of field monitoring methodology for new substances and sensing chemical warfare agents (CWAs) and terrorist substances. It also relates to a portable test kit which may be utilized to measure concentrations of halogenated volatile organic compounds (VOCs) in the field. Specifically it relates to systems for reliably field sensing the potential presence of such items while also distinguishing them from other elements potentially present. It also relates to overall systems and processes for sensing, reacting, and responding to an indicated presence of such substance, including modifications of existing halogenated sensors and arrayed sensing systems and methods.

  18. Volatile organic compound sensor system

    DOE Patents [OSTI]

    Schabron, John F. (Laramie, WY); Rovani, Jr., Joseph F. (Laramie, WY); Bomstad, Theresa M. (Waxahachie, TX); Sorini-Wong, Susan S. (Laramie, WY); Wong, Gregory K. (Laramie, WY)

    2011-03-01T23:59:59.000Z

    Generally, this invention relates to the development of field monitoring methodology for new substances and sensing chemical warfare agents (CWAs) and terrorist substances. It also relates to a portable test kit which may be utilized to measure concentrations of halogenated volatile organic compounds (VOCs) in the field. Specifically it relates to systems for reliably field sensing the potential presence of such items while also distinguishing them from other elements potentially present. It also relates to overall systems and processes for sensing, reacting, and responding to an indicated presence of such substance, including modifications of existing halogenated sensors and arrayed sensing systems and methods.

  19. Detection of Low Volatility Organic Analytes on Soils Using Infrared...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Low Volatility Organic Analytes on Soils Using Infrared Reflection Spectroscopy. Detection of Low Volatility Organic Analytes on Soils Using Infrared Reflection Spectroscopy....

  20. Degradation of La{sub 0.6}Sr{sub 0.4}Fe{sub 0.8}Co{sub 0.2}O{sub 3{minus}{delta}} in carbon dioxide and water atmospheres

    SciTech Connect (OSTI)

    Benson, S.J.; Waller, D.; Kilner, J.A. [Imperial Coll. of Science, Technology and Medicine, London (United Kingdom). Dept. of Materials] [Imperial Coll. of Science, Technology and Medicine, London (United Kingdom). Dept. of Materials

    1999-04-01T23:59:59.000Z

    The mixed ionic-electronic conductor La{sub 0.6}Sr{sub 0.4}Co{sub 0.2}Fe{sub 0.8}O{sub 3{minus}{delta}} (LSCF) is a candidate for use as the membrane material in the pressure-driven air separator. However the long-term stability of these materials is a major concern for the commercial realization of these devices. In an attempt to assess the stability of the material under realistic operating conditions for such a system, samples of LSCF were exposed to atmospheres of H{sub 2}O/CO{sub 2}/O{sub 2} at 750 C. Degradation of the material was studied using Raman spectroscopy and X-ray diffraction. Oxygen isotope exchange combined with secondary ion mass spectrometry was used to observe the effect of the presence of CO{sub 2} and H{sub 2}O on the oxygen diffusivity and surface exchange. It was observed that oxygen surface exchange was actually enhanced in the presence of CO{sub 2} and H{sub 2}O, during the duration of the study, although the oxygen diffusivity remained the same. The presence of volatile chromia species was found to significantly increase the rate of degradation of the ceramic.

  1. Experimental studies and thermodynamic modelling of volatilities of uranium, plutonium, and americium from their oxides and from their oxides interacted with ash

    SciTech Connect (OSTI)

    Krikorian, O.H.; Ebbinghaus, B.B.; Adamson, M.G.; Fontes, A.S. Jr.; Fleming, D.L.

    1993-09-15T23:59:59.000Z

    The purpose of this study is to identify the types and amounts of volatile gaseous species of U, Pu, and Am that are produced in the combustion chamber offgases of mixed waste oxidation processors. Primary emphasis is on the Rocky Flats Plant Fluidized Bed Incinerator. Transpiration experiments have been carried out on U{sub 3}O{sub 8}(s), U{sub 3}O{sub 8} interacted with various ash materials, PuO{sub 2}(s), PuO{sub 2} interacted with ash materials, and a 3%PuO{sub 2}/0.06%AmO{sub 2}/ash material, all in the presence of steam and oxygen, and at temperatures in the vicinity of 1,300 K. UO{sub 3}(g) and UO{sub 2}(OH){sub 2}(g) have been identified as the uranium volatile species and thermodynamic data established for them. Pu and Am are found to have very low volatilities, and carryover of Pu and Am as fine dust particulates is found to dominate over vapor transport. The authors are able to set upper limits on Pu and Am volatilities. Very little lowering of U volatility is found for U{sub 3}O{sub 8} interacted with typical ashes. However, ashes high in Na{sub 2}O (6.4 wt %) or in CaO (25 wt %) showed about an order of magnitude reduction in U volatility. Thermodynamic modeling studies were carried out that show that for aluminosilicate ash materials, it is the presence of group I and group II oxides that reduces the activity of the actinide oxides. K{sub 2}O is the most effective followed by Na{sub 2}O and CaO for common ash constituents. A more major effect in actinide activity lowering could be achieved by adding excess group I or group II oxides to exceed their interaction with the ash and lead to direct formation of alkali or alkaline earth uranates, plutonates, and americates.

  2. Securing non-volatile memory regions

    DOE Patents [OSTI]

    Faraboschi, Paolo; Ranganathan, Parthasarathy; Muralimanohar, Naveen

    2013-08-20T23:59:59.000Z

    Methods, apparatus and articles of manufacture to secure non-volatile memory regions are disclosed. An example method disclosed herein comprises associating a first key pair and a second key pair different than the first key pair with a process, using the first key pair to secure a first region of a non-volatile memory for the process, and using the second key pair to secure a second region of the non-volatile memory for the same process, the second region being different than the first region.

  3. On the pricing and hedging of volatility derivatives

    E-Print Network [OSTI]

    Howison, Sam

    On the pricing and hedging of volatility derivatives SAM HOWISON Mathematical Institute, University a stochastic volatility model as our starting point; we also provide formulae for the case that the volatility follows a jump- diffusion process of the type described in [18]. The fact that stochastic volatility

  4. The profitability of trading volatility using realvalued and symbolic models

    E-Print Network [OSTI]

    Tino, Peter

    implied volatility models . 1 Acknowledgements: This work was supported by the Austrian Science Fund (FWF

  5. Reactive flash volatilization of fluid fuels

    DOE Patents [OSTI]

    Schmidt, Lanny D.; Dauenhauer, Paul J.; Dreyer, Bradon J.; Salge, James R.

    2013-01-08T23:59:59.000Z

    The invention provides methods for the production of synthesis gas. More particularly, various embodiments of the invention relate to systems and methods for volatilizing fluid fuel to produce synthesis gas by using a metal catalyst on a solid support matrix.

  6. Metal volatilization and separation during incineration

    SciTech Connect (OSTI)

    Ho, T.C.; Chu, H.W.; Hopper, J.R. (Lamar Univ., Beaumont, TX (United States). Dept. of Chemical Engineering)

    1993-01-01T23:59:59.000Z

    The US Environmental Protection Agency (US EPA) has reported that metals can account for almost all of the identified risks from a thermal treatment process. Fundamental research leading to better understanding of their behavior and improved control of their emissions is greatly needed. This paper reports studies on metal volatilization and separation during incineration. Metal volatilization studies were carried out in two separate experiments. In the first experiment, the dynamic volatilization characteristics of various metals during the combustion of metal-containing wood pellets were investigated in a high-temperature electric furnace. In addition to uncontrolled volatilization, the potential of employing chemical additives to bind metals and prevent them from volatilizing during combustion was also investigated. The second experiment involved the investigation of metal volatilization characteristics during the thermal treatment of metal-contaminated clay in a fluidized bed unit. The metal species tested in both experiments were compounds of lead and cadmium. Metal capture/separation studies were also carried out in two separate experiments. The first involved the use of sorbents in the combustion chamber to capture metals during the fluidized bed incineration of metal-containing wood pellets. The second experiments, however, employed sorbents to absorb metal vapors in a fluidized-bed waste-heat boiler. The objective of both the experiments is to characterize the metal absorption efficiency associated with the processes.

  7. Flow of Volatile-Free and Volatile-Rich Basaltic Magmas through Elastic-Walled Dikes

    E-Print Network [OSTI]

    Al Hanbali, Ahmad

    averaged in "one-dimensional" flow tube. #12;Questions: · Can we obtain a simple 1D symmetric model) · Anisotropy 1 in horizontal and vertical rock stress #12;Elastic flow equations · Continuity equation t(m bFlow of Volatile-Free and Volatile-Rich Basaltic Magmas through Elastic-Walled Dikes O. Bokhove

  8. GeO{sub 2}/Ge structure submitted to annealing in deuterium: Incorporation pathways and associated oxide modifications

    SciTech Connect (OSTI)

    Bom, N. M., E-mail: nicolau.bom@ufrgs.br [PGMICRO, UFRGS, 91509-900 Porto Alegre, Rio Grande do Sul (Brazil); Soares, G. V.; Hartmann, S.; Bordin, A. [Instituto de Física, UFRGS, 91509-900 Porto Alegre, Rio Grande do Sul (Brazil); Radtke, C. [Instituto de Química, UFRGS, 91509-900 Porto Alegre, Rio Grande do Sul (Brazil)

    2014-10-06T23:59:59.000Z

    Deuterium (D) incorporation in GeO{sub 2}/Ge structures following D{sub 2} annealing was investigated. Higher D concentrations were obtained for GeO{sub 2}/Ge samples in comparison to their SiO{sub 2}/Si counterparts annealed in the same conditions. Oxygen vacancies produced during the annealing step in D{sub 2} constitute defect sites for D incorporation, analogous to defects at the SiO{sub 2}/Si interfacial region. Besides D incorporation, volatilization of the oxide layer is also observed as a consequence of D{sub 2} annealing, especially in the high temperature regime of the present study (>450?°C). In parallel to this volatilization, the stoichiometry and chemical structure of remnant oxide are modified as well. These results evidence the broader impact of forming gas annealing in dielectric/Ge structures with respect to SiO{sub 2}/Si counterparts.

  9. Non-volatile memory for checkpoint storage

    DOE Patents [OSTI]

    Blumrich, Matthias A.; Chen, Dong; Cipolla, Thomas M.; Coteus, Paul W.; Gara, Alan; Heidelberger, Philip; Jeanson, Mark J.; Kopcsay, Gerard V.; Ohmacht, Martin; Takken, Todd E.

    2014-07-22T23:59:59.000Z

    A system, method and computer program product for supporting system initiated checkpoints in high performance parallel computing systems and storing of checkpoint data to a non-volatile memory storage device. The system and method generates selective control signals to perform checkpointing of system related data in presence of messaging activity associated with a user application running at the node. The checkpointing is initiated by the system such that checkpoint data of a plurality of network nodes may be obtained even in the presence of user applications running on highly parallel computers that include ongoing user messaging activity. In one embodiment, the non-volatile memory is a pluggable flash memory card.

  10. Plasma regenerated particulate trap and NO.sub.x reduction system

    DOE Patents [OSTI]

    Penetrante, Bernardino M. (San Ramon, CA); Vogtlin, George E. (Fremont, CA); Merritt, Bernard T. (Livermore, CA); Brusasco, Raymond M. (Livermore, CA)

    2000-01-01T23:59:59.000Z

    A non-catalytic two-stage process for removal of NO.sub.x and particulates from engine exhaust comprises a first stage that plasma converts NO to NO.sub.2 in the presence of O.sub.2 and hydrocarbons, and a second stage, which preferably occurs simultaneously with the first stage, that converts NO.sub.2 and carbon soot particles to respective environmentally benign gases that include N.sub.2 and CO.sub.2. By preconverting NO to NO.sub.2 in the first stage, the efficiency of the second stage for NO.sub.x reduction is enhanced while carbon soot from trapped particulates is simultaneously converted to CO.sub.2 when reacting with the NO.sub.2 (that converts to N.sub.2). For example, an internal combustion engine exhaust is connected by a pipe to a chamber where carbon-containing particulates are electrostatically trapped or filtered and a non-thermal plasma converts NO to NO.sub.2 in the presence of O.sub.2 and hydrocarbons. Volatile hydrocarbons (C.sub.x H.sub.y) from the trapped particulates are oxidized in the plasma and the remaining soot from the particulates reacts with the NO.sub.2 to convert NO.sub.2 to N.sub.2, and the soot to CO.sub.2. The nitrogen exhaust components remain in the gas phase throughout the process, with no accompanying adsorption.

  11. Forecasting Volatility in Stock Market Using GARCH Models

    E-Print Network [OSTI]

    Yang, Xiaorong

    2008-01-01T23:59:59.000Z

    Forecasting volatility has held the attention of academics and practitioners all over the world. The objective for this master's thesis is to predict the volatility in stock market by using generalized autoregressive conditional heteroscedasticity(GARCH...

  12. CEC-500-2010-FS-017 Volatility of Ultrafine Particulate

    E-Print Network [OSTI]

    Gas Vehicles TRANSPORTATION ENERGY RESEARCH PIER Transportation Research www. Limited research has been done to characterize compressed natural gas mass emissions and practically-volatile and semi-volatile fractions of ultrafine particulate matter emissions from compressed natural gas vehicles

  13. X-ray elemental online analyzer measures volatiles

    SciTech Connect (OSTI)

    Klein, A.; Pilz, K.; Reich, K. [Indutech Instruments GmbH, Simmersfeld (Germany)

    2008-04-15T23:59:59.000Z

    The use of an online XRF analyser for determining the volatiles content of coal is outlined. 3 figs.

  14. Proboscis extension reflex platform for volatiles and semi-volatiles detection

    DOE Patents [OSTI]

    Wingo, Robert M. (Los Alamos, NM); McCabe, Kirsten J. (Los Alamos, NM); Haarmann, Timothy K. (Jemez Pueblo, NM)

    2010-11-30T23:59:59.000Z

    The present invention provides an apparatus for the detection of volatile and semi-volatile chemicals using the olfactory abilities of honey bees that are trained to respond to the presence of a specific chemical in a sample of gas with the proboscis extension reflex (PER). In particular, the geometry and arrangement of the parts of the apparatus are such that the amount of surface area in contact with the sample of gas prior to its introduction to the bees is minimized to improve the detection of particular volatile and semi-volatile that have a tendency to "stick" to contacting surfaces, especially certain chemicals associated with explosives and narcotics. According to another aspect of the present invention, a pre-concentrating means is incorporated with the device to effectively increase the concentration of "sticky" chemicals presented to the insects.

  15. Online measurements of the emissions of intermediate-volatility and semi-volatile organic compounds from aircraft

    E-Print Network [OSTI]

    Herndon, S. C.

    A detailed understanding of the climate and air quality impacts of aviation requires measurements of the emissions of intermediate-volatility and semi-volatile organic compounds (I/SVOCs) from aircraft. Currently both the ...

  16. Sub-to super-ambient temperature programmable microfabricated gas chromatography column

    DOE Patents [OSTI]

    Robinson, Alex L.; Anderson, Lawrence F.

    2004-03-16T23:59:59.000Z

    A sub- to super-ambient temperature programmable microfabricated gas chromatography column enables more efficient chemical separation of chemical analytes in a gas mixture by combining a thermoelectric cooler and temperature sensing on the microfabricated column. Sub-ambient temperature programming enables the efficient separation of volatile organic compounds and super-ambient temperature programming enables the elution of less volatile analytes within a reasonable time. The small heat capacity and thermal isolation of the microfabricated column improves the thermal time response and power consumption, both important factors for portable microanalytical systems.

  17. Sample and Implied Volatility in GARCH Models

    E-Print Network [OSTI]

    Kokoszka, Piotr

    Sample and Implied Volatility in GARCH Models Lajos Horva´th University of Utah Piotr Kokoszka Utah of various GARCH-type models is a function hðq� of the parameter vector q which is estimated by bq. For most distributions of the differences ^2 � hðq� and ^2 � hðbq� for broad classes of GARCH-type models. Even though

  18. Emission of volatile sulfur compounds during composting of municipal solid waste (MSW)

    SciTech Connect (OSTI)

    Zhang, Hongyu [Beijing Building Materials Academy of Science Research/State Key Laboratory of Solid Waste Reuse for Building Material, Beijing 100041 (China); College of Resources and Environment Sciences, China Agricultural University, Beijing 100094 (China); Schuchardt, Frank [Johann Heinrich von Thuenen-Institute, Institute of Agricultural Technology and Biosystems Engineering, Bundesallee 50, 38116 Braunschweig (Germany); Li, Guoxue, E-mail: ligx@cau.edu.cn [College of Resources and Environment Sciences, China Agricultural University, Beijing 100094 (China); Yang, Jinbing; Yang, Qingyuan [College of Resources and Environment Sciences, China Agricultural University, Beijing 100094 (China)

    2013-04-15T23:59:59.000Z

    Highlights: ? We compare the volatile sulfur compounds (VSCs) emissions during three types of municipal solid wastes (MSWs) composting. ? The VSCs released from the kitchen waste composting was significantly higher than that from 15–80 mm fraction of MSW. ? Among the five VSCs, H{sub 2}S was the most abundant compound with 39.0–43.0% of total VSCs released. ? Addition of 20% cornstalks could significantly reduce the VSCs emissions during kitchen waste composting. - Abstract: Volatile sulfur compounds (VSCs) are the main source for malodor from composting plants. In this study, the VSCs generated from composting of 15–80 mm municipal solid waste (T0), kitchen waste (T1) and kitchen waste mixed dry cornstalks (T2) were measured in 60 L reactors with forced aeration for a period of 30 days. The VSCs detected in all treatments were hydrogen sulfide (H{sub 2}S), methyl mercaptan (MM), dimethyl sulfide (DMS), carbon bisulfide (CS{sub 2}) and dimethyl disulfide (DMDS). Over 90% of the VSCs emissions occurred during the first 15 days, and reached their peak values at days 4–7. The emission profiles of five VSCs species were significantly correlated with internal materials temperature and outlet O{sub 2} concentration (p < 0.05). Total emissions of the VSCs were 216.1, 379.3 and 126.0 mg kg{sup ?1} (dry matter) for T0, T1 and T2, respectively. Among the five VSCs, H{sub 2}S was the most abundant compound with 39.0–43.0% of total VSCs released. Composting of kitchen waste from separate collection posed a negative influence on the VSC and leachate production because of its high moisture content. An addition of dry cornstalks at a mixing ratio of 4:1 (wet weight) could significantly reduce the VSCs emissions and avoid leachate. Compared to pure kitchen waste, VSCs were reduced 66.8%.

  19. Infrared Spectroscopy of Wild 2 Particle Hypervelocity Tracks in Stardust Aerogel: Evidence for the presence of Volatile Organics in Comet Dust

    SciTech Connect (OSTI)

    Bajt, S; Sandford, S A; Flynn, G J; Matrajt, G; Snead, C J; Westphal, A J; Bradley, J P

    2007-08-28T23:59:59.000Z

    Infrared spectroscopy maps of some tracks, made by cometary dust from 81P/Wild 2 impacting Stardust aerogel, reveal an interesting distribution of volatile organic material. Out of six examined tracks three show presence of volatile organic components possibly injected into the aerogel during particle impacts. When particle tracks contained excess volatile organic material, they were found to be -CH{sub 2}-rich. Off-normal particle tracks could indicate impacts by lower velocity particles that could have bounced off the Whipple shield, therefore carry off some contamination from it. However, this theory is not supported by data that show excess organic-rich material in normal and off-normal particle tracks. It is clear that the population of cometary particles impacting the Stardust aerogel collectors also include grains that contained little or none of this volatile organic component. This observation is consistent with the highly heterogeneous nature of the collected grains, as seen by a multitude of other analytical techniques. We propose that at least some of the volatile organic material might be of cometary origin based on supporting data shown in this paper. However, we also acknowledge the presence of carbon (primarily as -CH{sub 3}) in the original aerogel, which complicates interpretation of these results.

  20. aqueous volatile organic: Topics by E-print Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Mirna 1997-01-01 39 Impacts of herbaceous bioenergy crops on atmospheric volatile organic composition and potential consequences Environmental Sciences and Ecology Websites...

  1. ambient volatile organic: Topics by E-print Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    sensitivity, allowing 38 Impacts of herbaceous bioenergy crops on atmospheric volatile organic composition and potential consequences Environmental Sciences and Ecology Websites...

  2. Princeton and PPPL launch center to study volatile space weather...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Princeton and PPPL launch center to study volatile space weather and violent solar storms By John Greenwald December 12, 2013 Tweet Widget Google Plus One Share on Facebook...

  3. Volatiles as a link between planetary interiors and the environment

    E-Print Network [OSTI]

    Black, Benjamin A. (Benjamin Alexander)

    2013-01-01T23:59:59.000Z

    Volatiles derived from planetary interiors influence magma evolution and environmental processes. Over appropriate timescales, Earth's mantle, crust, ocean, and atmosphere constitute coupled systems. The apparently synchronous ...

  4. Growth History Of Kilauea Inferred From Volatile Concentrations...

    Open Energy Info (EERE)

    Inferred From Volatile Concentrations In Submarine-Collected Basalts Jump to: navigation, search OpenEI Reference LibraryAdd to library Journal Article: Growth History Of Kilauea...

  5. Partitioning of Volatile Organics in Diesel Particulate and Exhaust...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    in Diesel Particulate and Exhaust Evaluation of how sampling details affect the measurement of volatile organic compounds in diesel exhaust deer08strzelec.pdf More Documents...

  6. Ammonia volatilization from N fertilizers surface applied on bermudagrass

    E-Print Network [OSTI]

    Panossian, Jack B.

    1980-01-01T23:59:59.000Z

    . The biological activity was measured by trapping the CO in NaOH (0. 422 N). The NH3 which was volatilized from the urea was trapped in boric acid according to Bremner (1965). Volatilized NH and evolved CO were measured daily by titrating the boric acid and 13... was passed over the soil surface, then bubbled into boric acid to trap volatilized NH (Bremner, 1965). Humidified air was used to prevent rapid soil drying which would retard NH volatilization (Ernst and Massey, 1960). The apparatus is diagrammed in Fig. 1...

  7. CO{sub 2} Sequestration Potential of Charqueadas Coal Field in Brazil

    SciTech Connect (OSTI)

    Romanov, V [NETL

    2012-10-23T23:59:59.000Z

    The I2B coal seam in the Charqueadas coal field has been evaluated as a target for enhanced coal bed methane production and CO{sub 2} sequestration. The samples were low rank coals (high volatile bituminous and sub-bituminous) obtained from the I2B seam as ?3? cores. Such properties as sorption capacity, internal structure of the samples, porosity and permeability were of primary interest in this characterization study.

  8. TMVOC, simulator for multiple volatile organic chemicals

    SciTech Connect (OSTI)

    Pruess, Karsten; Battistelli, Alfredo

    2003-03-25T23:59:59.000Z

    TMVOC is a numerical simulator for three-phase non-isothermal flow of water, soil gas, and a multicomponent mixture of volatile organic chemicals (VOCs) in multidimensional heterogeneous porous media. It is an extension of the TOUGH2 general-purpose simulation program developed at the Lawrence Berkeley National Laboratory. TMVOC is designed for applications to contamination problems that involve hydrocarbon fuel or organic solvent spills in saturated and unsaturated zones. It can model contaminant behavior under ''natural'' environmental conditions, as well as for engineered systems, such as soil vapor extraction, groundwater pumping, or steam-assisted source remediation. TMVOC is upwards compatible with T2VOC (Falta et al., 1995) and can be initialized from T2VOC-style initial conditions. The main enhancements in TMVOC relative to T2VOC are as follows: a multicomponent mixture of volatile organic chemicals can be modeled; any and all combinations of the three phases water-oil-gas are treated; several non-condensible gases may be present; diffusion is treated in all phases in a manner that is fully coupled with phase partitioning. This paper gives a brief summary of the methodology used in TMVOC as well as highlighting some implementation issues. Simulation of a NAPL spill and subsequent remediation is discussed for a 2-D vertical section of a saturated-unsaturated flow problem.

  9. Numerical Convergence Properties of Option Pricing PDEs with Uncertain Volatility

    E-Print Network [OSTI]

    Forsyth, Peter A.

    is then simply the cost of this hedge. The principal source of risk is the price of the underlying assetNumerical Convergence Properties of Option Pricing PDEs with Uncertain Volatility D. M. Pooley , P, 2001 Abstract The pricing equations derived from uncertain volatility models in finance are often cast

  10. IMPLICIT SOLUTION OF UNCERTAIN VOLATILITY/TRANSACTION COST

    E-Print Network [OSTI]

    Forsyth, Peter A.

    IMPLICIT SOLUTION OF UNCERTAIN VOLATILITY/TRANSACTION COST OPTION PRICING MODELS WITH DISCRETELY OBSERVED BARRIERS P.A. FORSYTH \\Lambda AND K.R. VETZAL y Abstract. Option pricing models with uncertain volatility/transaction costs give rise to a nonlinear PDE. Previous work has focussed on explicit methods

  11. Role of Volatilization in Changing TBA and MTBE Concentrations at

    E-Print Network [OSTI]

    Role of Volatilization in Changing TBA and MTBE Concentrations at MTBE-Contaminated Sites J U A N tertiary butyl ether (MTBE) added to gasoline. Frequent observations of high TBA, and especially rising TBA/MTBE of MTBE to TBA. Typically overlooked is the role of volatilization in the attenuation of these chemicals

  12. Cursed Resources? Political Conditions and Oil Market Volatility*

    E-Print Network [OSTI]

    Edwards, Paul N.

    that there is a pronounced negative relationship between a country's political openness and the short-run volatility in oil shifts in oil demand or supply affect prices (see, for example, Hamilton (2009a) for a recent assessmentCursed Resources? Political Conditions and Oil Market Volatility* Gilbert E. Metcalf Tufts

  13. PSERC 98-22 "Market Power and Price Volatility in

    E-Print Network [OSTI]

    PSERC 98-22 "Market Power and Price Volatility in Restructured Markets for Electricity" Tim Mount/IEEE Service Center/445 Hoes Lane/P.O. Box 1331/Piscataway, NJ 08855-1331, USA. Telephone: + Intl. 908-562-3966. #12;MARKET POWER AND PRICE VOLATILITY IN RESTRUCTURED MARKETS FOR ELECTRICITY Tim Mount School

  14. Scaling and memory in volatility return intervals in financial markets

    E-Print Network [OSTI]

    Stanley, H. Eugene

    markets, we study the return intervals between the daily volatilities of the price changes that are above.federal- reserve.gov releases H10 hist. We choose to study daily data records because there are intraday trendsScaling and memory in volatility return intervals in financial markets Kazuko Yamasaki* , Lev

  15. Organizational Adaptation in Volatile Environments Kathleen M. Carley

    E-Print Network [OSTI]

    Sadeh, Norman M.

    Organizational Adaptation in Volatile Environments Kathleen M. Carley Dept. of Social and Decision. Citation: Kathleen M. Carley, 2000, "Organizational Adaptation in Volatile Environments" Ch. 11 in C. L. Hulin & D. R. Ilgen (Eds.) Computational Modeling in Organizational Behavior: The Third Scientific

  16. Melt Processed Single Phase Hollandite Waste Forms For Nuclear Waste Immobilization: Ba{sub 1.0}Cs{sub 0.3}A{sub 2.3}Ti{sub 5.7}O{sub 16}; A = Cr, Fe, Al

    SciTech Connect (OSTI)

    Brinkman, Kyle [Savannah River National Laboratory, Aiken, SC 29808 (United States); Marra, James [Savannah River National Laboratory, Aiken, SC 29808 (United States); Amoroso, Jake [Savannah River National Laboratory, Aiken, SC 29808 (United States); Conradson, Steven D. [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Tang, Ming [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)

    2013-09-23T23:59:59.000Z

    Cs is one of the more problematic fission product radionuclides to immobilize due to its high volatility at elevated temperatures, ability to form water soluble compounds, and its mobility in many host materials. The hollandite structure is a promising crystalline host for Cs immobilization and has been traditionally fabricated by solid state sintering methods. This study presents the structure and performance of Ba{sub 1.0}Cs{sub 0.3}A{sub 2.3}Ti{sub 5.7}O{sub 16}; A = Cr, Fe, Al hollandite fabricated by melt processing. Melt processing is considered advantageous given that melters are currently in use for High Level Waste (HLW) vitrification in several countries. This work details the impact of Cr additions that were demonstrated to i) promote the formation of a Cs containing hollandite phase and ii) maintain the stability of the hollandite phase in reducing conditions anticipated for multiphase waste form processing.

  17. Essays on Resource Allocation and Management, Price Volatility and Applied Nonparametrics

    E-Print Network [OSTI]

    Nigatu, Getchew Sisay

    2012-01-01T23:59:59.000Z

    85 3.4.4 Comparing GARCH and MRS VolatilityMRS and GARCH Conditional Standard Deviation for (a) CCXF. (2002). Improving GARCH Volatility Forecasts with Regime-

  18. The crystal structure of Yb{sub 2}(SO{sub 4}){sub 3}.3H{sub 2}O and its decomposition product, {beta}-Yb{sub 2}(SO{sub 4}){sub 3}

    SciTech Connect (OSTI)

    Mills, Stuart J., E-mail: smills@museum.vic.gov.au [Department of Earth and Ocean Sciences, University of British Columbia, Vancouver, British Columbia, V6T 1Z4 (Canada); Mineral Sciences Department, Natural History Museum of Los Angeles County, 900 Exposition Boulevard, Los Angeles, California 90007 (United States); Petricek, Vaclav [Institute of Physics, Academy of Sciences of the Czech Republic, v.v.i., Na Slovance 2, 182 21 Praha (Czech Republic); Kampf, Anthony R. [Mineral Sciences Department, Natural History Museum of Los Angeles County, 900 Exposition Boulevard, Los Angeles, California 90007 (United States); Herbst-Imer, Regine [Department of Structural Chemistry, University of Goettingen, Tammannstrasse 4, 37077 Goettingen (Germany); Raudsepp, Mati [Department of Earth and Ocean Sciences, University of British Columbia, Vancouver, British Columbia, V6T 1Z4 (Canada)

    2011-09-15T23:59:59.000Z

    Yb{sub 2}(SO{sub 4}){sub 3}.3H{sub 2}O, synthesised by hydrothermal methods at 220(2) deg. C, has been investigated by single crystal X-ray diffraction. Yb{sub 2}(SO{sub 4}){sub 3}.3H{sub 2}O crystallises in space group Cmc2{sub 1} and is isostructural with Lu{sub 2}(SO{sub 4}){sub 3}.3H{sub 2}O. The crystal structure has been refined to R{sub 1}=0.0145 for 3412 reflections [F{sub o}>3{sigma}(F)], and 0.0150 for all 3472 reflections. The structure of Yb{sub 2}(SO{sub 4}){sub 3}.3H{sub 2}O is a complex framework of YbO{sub 6} octahedra, YbO{sub 8} and YbO{sub 5}(H{sub 2}O){sub 3} polyhedra and SO{sub 4} tetrahedra. Thermal data shows that Yb{sub 2}(SO{sub 4}){sub 3}.3H{sub 2}O decomposes between 120 and 190 deg. C to form {beta}-Yb{sub 2}(SO{sub 4}){sub 3}. The structure of a twinned crystal of {beta}-Yb{sub 2}(SO{sub 4}){sub 3} was solved and refined using an amplimode refinement in R3c with an R{sub 1}=0.0755 for 8944 reflections [F{sub o}>3{sigma}(F)], and 0.1483 for all 16,361 reflections. {beta}-Yb{sub 2}(SO{sub 4}){sub 3} has a unique structural topology based on a 3D network of pinwheels. - Graphical abstract: Octahedral-tetrahedral linkages found in Y{sub 2}(SO{sub 4}){sub 3} [and Er{sub 2}(SO{sub 4}){sub 3}] and ss-Yb{sub 2}(SO{sub 4}){sub 3}. Highlights: > The crystal structure and decomposition reactions of Yb{sub 2}(SO{sub 4}){sub 3}.3H{sub 2}O. > The crystal structure of a twinned crystal of {beta}-Yb{sub 2}(SO{sub 4}){sub 3}. > Comparison of the structures of {beta}-Yb{sub 2}(SO{sub 4}){sub 3} and Y{sub 2}(SO{sub 4}){sub 3}.

  19. Measurements of the volatilities of solutes from aqueous solutions and their application to water/steam cycles

    SciTech Connect (OSTI)

    Jensen, J.P. [Technical Univ. of Denmark, Lyngby (Denmark). Dept. of Chemical Engineering; Palmer, D.A.; Simonson, J.M. [Oak Ridge National Lab., TN (United States)

    1995-02-01T23:59:59.000Z

    Partitioning of NaSO{sub 4} and NaHSO{sub 4} between the liquid and vapor phases was measured at 300, 325 and 350{degrees}C by sampling both phases from a static platinum-lined autoclave. Sample compositions were determined by ion chromatography and acidimetric titrations. The solutions were buffered with either acid or base so that the volatility of individual species was determined. The molal thermodynamic partitioning constants were calculated by taking into account the mean stoichiometric activity coefficient in the liquid phase and the hydrolysis equilibrium constants. The vapor phase species were assumed to be neutral molecules with unit activity coefficients. The strong temperature dependence of the partitioning constant was treated by the isocoulombic method to obtain a linear dependence of the logarithm of the partitioning constant versus reciprocal temperature in Kelvin. A model is described for predicting the composition of the condensate in the water/steam cycle of power plants using drum boilers. Equilibrium between liquid and steam is assumed in the drum during boiling, and in the low pressure turbine on steam condensation. The model is based on the measured partitioning constants of HCl, NH{sub 4}Cl, NaCl, NaOH, H{sub 2}SO{sub 4}, NaHSO{sub 4}, NaSO{sub 4} and NH{sub 3}, the hydrolysis of HSO{sub 4}{sup -} and NH{sub 4}{sup +} and the ionic product of water. Two test cases are given to demonstrate the sensitivity of the pH of the first condensate to the concentrations of various anions relative to the corresponding sodium concentration in the drum. These calculations also indicate that very high concentrations of solutes can be achieved under certain conditions.

  20. Measurement of the B<sub>-c>meson lifetime in the decay B<sub>-c>?J/???

    SciTech Connect (OSTI)

    Aaltonen, T.; Álvarez González, B.; Amerio, S.; Amidei, D.; Anastassov, A.; Annovi, A.; Antos, J.; Apollinari, G.; Appel, J. A.; Arisawa, T.; Artikov, A.; Asaadi, J.; Ashmanskas, W.; Auerbach, B.; Aurisano, A.; Azfar, F.; Badgett, W.; Bae, T.; Barbaro-Galtieri, A.; Barnes, V. E.; Barnett, B. A.; Barria, P.; Bartos, P.; Bauce, M.; Bedeschi, F.; Behari, S.; Bellettini, G.; Bellinger, J.; Benjamin, D.; Beretvas, A.; Bhatti, A.; Bisello, D.; Bizjak, I.; Bland, K. R.; Blumenfeld, B.; Bocci, A.; Bodek, A.; Bortoletto, D.; Boudreau, J.; Boveia, A.; Brigliadori, L.; Bromberg, C.; Brucken, E.; Budagov, J.; Budd, H. S.; Burkett, K.; Busetto, G.; Bussey, P.; Buzatu, A.; Calamba, A.; Calancha, C.; Camarda, S.; Campanelli, M.; Campbell, M.; Canelli, F.; Carls, B.; Carlsmith, D.; Carosi, R.; Carrillo, S.; Carron, S.; Casal, B.; Casarsa, M.; Castro, A.; Catastini, P.; Cauz, D.; Cavaliere, V.; Cavalli-Sforza, M.; Cerri, A.; Cerrito, L.; Chen, Y. C.; Chertok, M.; Chiarelli, G.; Chlachidze, G.; Chlebana, F.; Cho, K.; Chokheli, D.; Chung, W. H.; Chung, Y. S.; Ciocci, M. A.; Clark, A.; Clarke, C.; Compostella, G.; Convery, M. E.; Conway, J.; Corbo, M.; Cordelli, M.; Cox, C. A.; Cox, D. J.; Crescioli, F.; Cuevas, J.; Culbertson, R.; Dagenhart, D.; d’Ascenzo, N.; Datta, M.; de Barbaro, P.; Dell’Orso, M.; Demortier, L.; Deninno, M.; Devoto, F.; d’Errico, M.; Di Canto, A.; Di Ruzza, B.; Dittmann, J. R.; D’Onofrio, M.; Donati, S.; Dong, P.; Dorigo, M.; Dorigo, T.; Ebina, K.; Elagin, A.; Eppig, A.; Erbacher, R.; Errede, S.; Ershaidat, N.; Eusebi, R.; Farrington, S.; Feindt, M.; Fernandez, J. P.; Field, R.; Flanagan, G.; Forrest, R.; Frank, M. J.; Franklin, M.; Freeman, J. C.; Funakoshi, Y.; Furic, I.; Gallinaro, M.; Garcia, J. E.; Garfinkel, A. F.; Garosi, P.; Gerberich, H.; Gerchtein, E.; Giagu, S.; Giakoumopoulou, V.; Giannetti, P.; Gibson, K.; Ginsburg, C. M.; Giokaris, N.; Giromini, P.; Giurgiu, G.; Glagolev, V.; Glenzinski, D.; Gold, M.; Goldin, D.; Goldschmidt, N.; Golossanov, A.; Gomez, G.; Gomez-Ceballos, G.; Goncharov, M.; González, O.; Gorelov, I.; Goshaw, A. T.; Goulianos, K.; Grinstein, S.; Grosso-Pilcher, C.; Group, R. C.; Guimaraes da Costa, J.; Hahn, S. R.; Halkiadakis, E.; Hamaguchi, A.; Han, J. Y.; Happacher, F.; Hara, K.; Hare, D.; Hare, M.; Harr, R. F.; Hatakeyama, K.; Hays, C.; Heck, M.; Heinrich, J.; Herndon, M.; Hewamanage, S.; Hocker, A.; Hopkins, W.; Horn, D.; Hou, S.; Hughes, R. E.; Hurwitz, M.; Husemann, U.; Hussain, N.; Hussein, M.; Huston, J.; Introzzi, G.; Iori, M.; Ivanov, A.; James, E.; Jang, D.; Jayatilaka, B.; Jeon, E. J.; Jindariani, S.; Jones, M.; Joo, K. K.; Jun, S. Y.; Junk, T. R.; Kamon, T.; Karchin, P. E.; Kasmi, A.; Kato, Y.; Ketchum, W.; Keung, J.; Khotilovich, V.; Kilminster, B.; Kim, D. H.; Kim, H. S.; Kim, J. E.; Kim, M. J.; Kim, S. B.; Kim, S. H.; Kim, Y. K.; Kim, Y. J.; Kimura, N.; Kirby, M.; Klimenko, S.; Knoepfel, K.; Kondo, K.; Kong, D. J.; Konigsberg, J.; Kotwal, A. V.; Kreps, M.; Kroll, J.; Krop, D.; Kruse, M.; Krutelyov, V.; Kuhr, T.; Kurata, M.; Kwang, S.; Laasanen, A. T.; Lami, S.; Lammel, S.; Lancaster, M.; Lander, R. L.; Lannon, K.; Lath, A.; Latino, G.; LeCompte, T.; Lee, E.; Lee, H. S.; Lee, J. S.; Lee, S. W.; Leo, S.; Leone, S.; Lewis, J. D.; Limosani, A.; Lin, C.-J.; Lindgren, M.; Lipeles, E.; Lister, A.; Litvintsev, D. O.; Liu, C.; Liu, H.; Liu, Q.; Liu, T.; Lockwitz, S.; Loginov, A.; Lucchesi, D.; Lueck, J.; Lujan, P.; Lukens, P.; Lungu, G.; Lys, J.; Lysak, R.; Madrak, R.; Maeshima, K.; Maestro, P.; Malik, S.; Manca, G.; Manousakis-Katsikakis, A.; Margaroli, F.; Marino, C.; Martínez, M.; Mastrandrea, P.; Matera, K.; Mattson, M. E.; Mazzacane, A.; Mazzanti, P.; McFarland, K. S.; McIntyre, P.; McNulty, R.; Mehta, A.; Mehtala, P.; Mesropian, C.; Miao, T.; Mietlicki, D.; Mitra, A.; Miyake, H.; Moed, S.; Moggi, N.; Mondragon, M. N.; Moon, C. S.; Moore, R.; Morello, M. J.; Morlock, J.; Movilla Fernandez, P.; Mukherjee, A.; Muller, Th.; Murat, P.; Mussini, M.; Nachtman, J.; Nagai, Y.; Naganoma, J.; Nakano, I.; Napier, A.; Nett, J.; Neu, C.; Neubauer, M. S.; Nielsen, J.; Nodulman, L.; Noh, S. Y.; Norniella, O.; Oakes, L.; Oh, S. H.; Oh, Y. D.; Oksuzian, I.; Okusawa, T.; Orava, R.; Ortolan, L.; Pagan Griso, S.; Pagliarone, C.; Palencia, E.; Papadimitriou, V.; Paramonov, A. A.; Patrick, J.; Pauletta, G.; Paulini, M.; Paus, C.; Pellett, D. E.; Penzo, A.; Phillips, T. J.; Piacentino, G.; Pianori, E.; Pilot, J.; Pitts, K.; Plager, C.; Pondrom, L.; Poprocki, S.; Potamianos, K.; Prokoshin, F.; Pranko, A.; Ptohos, F.; Punzi, G.; Rahaman, A.; Ramakrishnan, V.; Ranjan, N.; Redondo, I.; Renton, P.; Rescigno, M.; Riddick, T.; Rimondi, F.; Ristori, L.; Robson, A.; Rodrigo, T.; Rodriguez, T.; Rogers, E.; Rolli, S.; Roser, R.; Ruffini, F.; Ruiz, A.; Russ, J.; Rusu, V.; Safonov, A.; Sakumoto, W. K.

    2013-01-01T23:59:59.000Z

    The lifetime of the B<sub>-c> meson is measured using 272 exclusive B<sub>-c>?J/?(?????)?? decays reconstructed in data from proton-antiproton collisions corresponding to an integrated luminosity of 6.7 fb?ą recorded by the CDF II detector at the Fermilab Tevatron. The lifetime of the B<sub>-c>meson is measured to be <sub>?(B-c>)=0.452±0.048(stat)±0.027(syst) ps. This is the first measurement of the B<sub>-c> meson lifetime in a fully reconstructed hadronic channel, and it agrees with previous results and has comparable precision.

  1. Nitrogen Trifluoride-Based Fluoride- Volatility Separations Process: Initial Studies

    SciTech Connect (OSTI)

    McNamara, Bruce K.; Scheele, Randall D.; Casella, Andrew M.; Kozelisky, Anne E.

    2011-09-28T23:59:59.000Z

    This document describes the results of our investigations on the potential use of nitrogen trifluoride as the fluorinating and oxidizing agent in fluoride volatility-based used nuclear fuel reprocessing. The conceptual process uses differences in reaction temperatures between nitrogen trifluoride and fuel constituents that produce volatile fluorides to achieve separations and recover valuable constituents. We provide results from our thermodynamic evaluations, thermo-analytical experiments, kinetic models, and provide a preliminary process flowsheet. The evaluations found that nitrogen trifluoride can effectively produce volatile fluorides at different temperatures dependent on the fuel constituent.

  2. Syntheses, crystal structures, and properties of three new metal selenites Na{sub 2}Co{sub 2}(SeO{sub 3}){sub 3}, Na{sub 2}Co{sub 1.67}Ni{sub 0.33}(SeO{sub 3}){sub 3}, and Na{sub 2}Ni{sub 2}(SeO{sub 3}){sub 3}

    SciTech Connect (OSTI)

    Yuan Xiaoqing [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); Graduate School of the Chinese Academy of Sciences, Beijing 100049 (China); Feng Meiling, E-mail: fml@fjirsm.ac.c [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, the Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); Li Jianrong [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, the Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); Graduate School of the Chinese Academy of Sciences, Beijing 100049 (China); Huang Xiaoying, E-mail: xyhuang@fjirsm.ac.c [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China)

    2010-09-15T23:59:59.000Z

    Three new sodium cobalt (nickel) selenite compounds, namely, Na{sub 2}Co{sub 2}(SeO{sub 3}){sub 3}, Na{sub 2}Co{sub 1.67}Ni{sub 0.33}(SeO{sub 3}){sub 3}, and Na{sub 2}Ni{sub 2}(SeO{sub 3}){sub 3} have been hydro-/solvothermally synthesized in the mixed solvents of acetonitrile and water. Single-crystal X-ray diffraction analyses reveal that these isostructural compounds belong to the orthorhombic Cmcm space group and their structures feature three-dimensional open frameworks constructed by the two-dimensional layers of [MSeO{sub 3}] pillared by the [SeO{sub 3}]{sup 2-} groups. The two different types of Na{sup +} ions reside in the intersecting two-dimensional channels parallel to the a- and c-axes, respectively. Their thermal properties have been investigated via TGA-DSC. The magnetic measurements indicate the existence of the antiferromagnetic interactions in these compounds. - Graphical abstract: Three new isostructural metal selenites, Na{sub 2}Co{sub 2}(SeO{sub 3}){sub 3}, Na{sub 2}Co{sub 1.67}Ni{sub 0.33}(SeO{sub 3}){sub 3}, and Na{sub 2}Ni{sub 2}(SeO{sub 3}){sub 3} have been hydro-/solvothermally synthesized and characterized. Their structures feature three-dimensional open frameworks with Na{sup +}-occupied channels.

  3. Financial distortions and the distribution of global volatility

    E-Print Network [OSTI]

    Eden, Maya Rachel

    2011-01-01T23:59:59.000Z

    In this thesis, I study the interactions between various aspects of the financial system and macroeconomic volatility in a globally integrated environment. In Chapter 1, I illustrate that an efficient allocation of liquidity ...

  4. Bootstrap Prediction for Returns and Volatilities in GARCH Models

    E-Print Network [OSTI]

    Ortega, Esther Ruiz

    Bootstrap Prediction for Returns and Volatilities in GARCH Models Lorenzo Pascuala , Juan Romob of GARCH processes is proposed. Financial market participants have shown an increasing interest Autoregressive Conditionally Heteroscedastic (GARCH) models, originally introduced by Bollerslev (1986), provide

  5. Forecasting Returns and Volatilities in GARCH Processes Using the Bootstrap

    E-Print Network [OSTI]

    Romo, Juan

    Forecasting Returns and Volatilities in GARCH Processes Using the Bootstrap Lorenzo Pascual, Juan generated by GARCH processes. The main advantage over other bootstrap methods previously proposed for GARCH by having conditional heteroscedasticity. Generalized Autoregressive Conditionally Heteroscedastic (GARCH

  6. acidos grasos volatiles: Topics by E-print Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    (more) Ntainjua Ndifor, Edwin. 2007-01-01 32 Impact of Multiple Volatilities in Bioenergy Investments CiteSeer Summary: The paper investigates the effect of the output and...

  7. The impact of fuel price volatility on transportation mode choice

    E-Print Network [OSTI]

    Kim, Eun Hie

    2009-01-01T23:59:59.000Z

    In recent years, the price of oil has driven large fluctuations in the price of diesel fuel, which is an important cost component in freight logistics. This thesis explores the impact of fuel price volatility on supply ...

  8. Temporal Geochemical Variations In Volatile Emissions From Mount...

    Open Energy Info (EERE)

    Geochemical Variations In Volatile Emissions From Mount St Helens, Usa, 1980-1994 Jump to: navigation, search OpenEI Reference LibraryAdd to library Journal Article: Temporal...

  9. Effects of Mg doping on the remarkably enhanced electrochemical performance of Na<sub>3sub>V>2sub>(PO>4sub>)>3sub> cathode materials for sodium ion batteries

    SciTech Connect (OSTI)

    Li, Hui [Beijing Inst. of Technology, Beijing (China). Key Lab. of Environmental Science and Engineering, School of Chemical Engineering and Environment; Yu, Xiqian [Brookhaven National Lab. (BNL), Upton, NY (United States). Chemistry Dept.; Bai, Ying [Beijing Inst. of Technology, Beijing (China). Key Lab. of Environmental Science and Engineering, School of Chemical Engineering and Environment; Wu, Feng [Beijing Inst. of Technology, Beijing (China). Key Lab. of Environmental Science and Engineering, School of Chemical Engineering and Environment; Wu, Chuan [Beijing Inst. of Technology, Beijing (China). Key Lab. of Environmental Science and Engineering, School of Chemical Engineering and Environment; Liu, Liang-Yu [Beijing Inst. of Technology, Beijing (China). Key Lab. of Environmental Science and Engineering, School of Chemical Engineering and Environment; Yang, Xiao-Qing [Brookhaven National Lab. (BNL), Upton, NY (United States). Chemistry Dept.

    2015-01-01T23:59:59.000Z

    Na<sub>3sub>V>2-xsub>Mgx(PO>4sub>)>3sub>/C composites with different Mg2+ doping contents (x=0, 0.01, 0.03, 0.05, 0.07 and 0.1) were prepared by a facile sol-gel method. The doping effects on the crystal structure were investigated by XRD, XPS and EXAFS. The results show that low dose doping Mg2+ does not alter the structure of the material, and magnesium is successfully substituted for vanadium site. The Mg doped Na<sub>3sub>V>2-xsub>Mgx(PO>4sub>)>3sub>/C composites exhibit significant improvements on the electrochemistry performances in terms of the rate capability and cycle performance, especially for the Na<sub>3sub>V>1.95sub>Mg>0.05sub>(PO>4sub>)>3sub>/C. For example, when the current density increased from 1 C to 30 C, the specific capacity only decreased from 112.5 mAh g-1 to 94.2 mAh g-1 showing very good rate capability. Moreover, even cycling at a high rate of 20 C, an excellent capacity retention of 81% is maintained from the initial value of 106.4 mAh g-1 to 86.2 mAh g-1 at the 50th cycle. Enhanced rate capability and cycle performance can be attributed to the optimized particle size, structural stability and enhanced ionic and electronic conductivity induced by Mg doping.

  10. CONTRIBUTION OF SEMI-VOLATILE ORGANIC MATERIAL TO AMBIENT PM2.5

    SciTech Connect (OSTI)

    Delbert J. Eatough; William K. Modey; Rebecca Sizemore; Michael Simpson

    2004-04-01T23:59:59.000Z

    Both annual 24-h average and seasonal diurnal samples collected at NETL during the research program have been analyzed. The fine particulate components determined include PM{sub 2.5} mass, ammonium sulfate, ammonium nitrate, elemental and organic carbonaceous material and trace elements. The analysis of the nitrate and organic material includes both the identification of nonvolatile material retained by the particle collection filter and semi-volatile material lost from the particles during sample collection. The results obtained in these analyses indicate that both the semivolatile and nonvolatile organic material in the fine particles sampled at the NETL site originate from mobile emissions in the local area. However, the majority of the nonvolatile material is associated with primary emissions and the majority of the semi-volatile material is secondary, being formed from photochemical processes in the atmosphere. In contrast, the fine particulate sulfate does not originate from the local area but is transported into the study region, mostly from sources in the Ohio River Valley. These observations have been supported by both detailed meteorological and apportionment analysis of the data.

  11. Double Diffusion in Enclosure Bounded by Massive and Volatilizing Walls

    E-Print Network [OSTI]

    Liu, D.; Tang, G.; Zhao, F.

    2006-01-01T23:59:59.000Z

    ICEBO2006, Shenzhen, China Maximize Comfort: Temperature, Humidity and IAQ Vol.I-6-5 Double Diffusion in Enclosure Bounded by Massive and Volatilizing Walls Di Liu Guangfa Tang Fuyun Zhao Doctoral Professor.... INTRODUCTION It has become evident that building products are major contributors to the pollution of the indoor air environment with volatile organic compounds (VOCs) [1]. The indoor airflow and temperature distributions also have influence on the emission...

  12. Evidence for tt?? Production and Measurement of (?<sub> tt?sub>)?/(?tt?>)

    SciTech Connect (OSTI)

    Aaltonen, T [Helsinki Inst. of Phys.; Alvarez Gonzalez, B [Oviedo U.; Cantabria Inst. of Phys.; Amerio, S [INFN, Padua; Amidei, D [Michigan U.; Anastassov, A [Northwestern U.; Annovi, A [Frascati; Antos, J [Comenius U.; Apollinari, G [Fermilab; Appel, J A [Fermilab; Apresyan, A [Purdue U.; Arisawa, T [Waseda U.; Dubna, JINR

    2011-08-31T23:59:59.000Z

    Using data corresponding to 6.0 fb-1 of pp? collisions at ?s = 1.96 TeV collected by the CDF II detector, we present a cross section measurement of top-quark pair production with an additional radiated photon, tt??. The events are selected by looking for a lepton (ell), a photon (?), significant transverse momentum imbalance (E<sub>T>), large total transverse energy, and three or more jets, with at least one identified as containing a b quark (b). The tt?? sample requires the photon to have 10 GeV or more of transverse energy, and to be in the central region. Using an event selection optimized for the tt?? candidate sample we measure the production cross section of tt? (?<sub>tt?>), and the ratio of cross sections of the two samples. Control samples in the dilepton+photon and lepton+photon+E<sub>T>, channels are constructed to aid in decay product identification and background measurements. We observe 30 tt?? candidate events compared to the standard model expectation of 26.9 ± 3.4 events. We measure the tt?? cross section (?<sub>tt?>) to be 0.18 ± 0.08 pb, and the ratio of ?<sub>tt?>? to ?<sub>tt?> to be 0.024 ± 0.009. Assuming no tt?? production, we observe a probability of 0.0015 of the background events alone producing 30 events or more, corresponding to 3.0 standard deviations.

  13. La??<sub>xSrx>CuO? superconductor nanowire devices

    SciTech Connect (OSTI)

    Litombe, N. E. [Harvard Univ., Cambridge, MA (United States); Brookhaven National Lab. (BNL), Upton, NY (United States); Bollinger, A. T. [Brookhaven National Lab. (BNL), Upton, NY (United States); Hoffman, J. E. [Harvard Univ., Cambridge, MA (United States); Bozovic, I. [Brookhaven National Lab. (BNL), Upton, NY (United States)

    2014-11-01T23:59:59.000Z

    La??<sub>xSrx>CuO? nanowire devices have been fabricated and characterized using electrical transport measurements. Nanowires with widths down to 80 nm are patterned using high-resolution electron beam lithography. However, the narrowest nanowires show incomplete superconducting transitions with some residual resistance at T = 4 K. Here, we report on refinement of the fabrication process to achieve narrower nanowire devices with complete superconducting transitions, opening the path to the study of novel physics arising from dimension-limited superconductivity on the nanoscale.

  14. Scaling of Dynamic Spin Correlations in BaCu<sub>2sub>(Si>0.5sub>Ge>0.5sub>)>2sub>O>7sub>

    SciTech Connect (OSTI)

    Zheludev, Andrey I [ORNL; Masuda, T. [Yokohama City University, Japan; Dhalenne, G. [Universite Paris Sud, Orsay, France; Revcolevschi, A. [Universite Paris Sud, Orsay, France; Frost, C. [ISIS Facility, Rutherford Appleton Laboratory; Perring, T. G. [ISIS Facility, Rutherford Appleton Laboratory

    2007-01-01T23:59:59.000Z

    The magnetic dynamic structure factor of the one-dimensional S=1/2 chain system BaCu{sub 2}(Si{sub 0.5}Ge{sub 0.5}){sub 2}O{sub 7} is studied in a wide range of energy transfers and temperatures. Contrary to previous erroneous reports [T. Masuda et al., Phys. Rev. Lett. 93, 077206 (2004)], the scaling properties observed in the range 0.5-25 meV are found to be fully consistent with expectations for a Luttinger spin liquid. At higher energies, a breakdown of scaling laws is observed and attributed to lattice effects. The results are complementary to those found in literature for other S=1/2 chain compounds, such as KCuF{sub 3} and Cu benzoate.

  15. Refined conceptual model for the Volatile Organic Compounds-Arid Integrated Demonstration and 200 West Area Carbon Tetrachloride Expedited Response Action

    SciTech Connect (OSTI)

    Last, G.V. [Pacific Northwest Lab., Richland, WA (United States); Rohay, V.J. [Westinghouse Hanford Co., Richland, WA (United States)

    1993-03-01T23:59:59.000Z

    This report presents a refined geohydrologic and geochemical conceptual model of the host site (Hanford Reservation) for the Volatile Organic Compounds -- Arid Integrated Demonstration (VOC-Arid ID) and 200 West Area Carbon Tetrachloride (CCl{sub 4}) Expedited Response Action (ERA), based on the results from fiscal year 1992 site characterization activities. The ERA was initiated in December 1990 to minimize or stabilize CCl{sub 4} migration within the unsaturated (vadose) zone in the vicinity of three CCl{sub 4} disposal sites in the 200 West Area (216-Z-1A tile field, 216-Z-9 trench, and 216-Z-18 crib). Implementation of this ERA was based on concerns that CCl{sub 4} residing in the soils was continuing to spread to the groundwater and, if left unchecked, would significantly increase the area of groundwater contamination. A soil-vapor-extraction system began operating at the site in February 1992.

  16. Development of a portable mass spectrometric system for determination of isotopic composition of solid uranium samples using fluorine volatilization. Final report

    SciTech Connect (OSTI)

    Loge, G.

    1994-09-30T23:59:59.000Z

    Using hardware and materials supplied by LANL, a prototype quadrupole mass spectrometer system designed for portable field analysis of isotopic composition of solid uranium samples was assembled and tested. The system contained the capability for fluorine volatilization of solid uranium samples with gas introduction, which was successfully tested and demonstrated using 100 mg samples of U{sub 3}O{sub 8}. Determination of precision and accuracy for measuring isotopic composition was performed using isotopic standards. Use with soil samples containing uranium were also attempted. Silicates in the soil forming SiF{sub 4} were found to be a kinetic bottleneck to the formation of UF{sub 6}. This could be avoided by performing some sort of chemical separation as a pre-treatment step, which was demonstrated using nitric acid.

  17. Lu<sub>1-xsub>I>3sub>:Cex>--a scintillator for gamma ray spectroscopy and time-of-flight PET

    DOE Patents [OSTI]

    Shah, Kanai S.

    2007-02-06T23:59:59.000Z

    The present invention concerns very fast scintillator materials comprising lutetium iodide doped with Cerium (Lu<sub>1-xsub>I>3sub>:Cex>; LuI<sub>3sub>:Ce). The LuI<sub>3 sub>scintillator material has surprisingly good characteristics including high light output, high gamma ray stopping efficiency, fast response, low cost, good proportionality, and minimal afterglow that the material is useful for gamma ray spectroscopy, medical imaging, nuclear and high energy physics research, diffraction, non-destructive testing, nuclear treaty verification and safeguards, and geological exploration. The timing resolution of the scintillators of the present invention provide compositions capable of resolving the position of an annihilation event within a portion of a human body cross-section.

  18. Structure determination of {alpha}-La{sub 6}W{sub 2}O{sub 15}

    SciTech Connect (OSTI)

    Chambrier, M-H., E-mail: marie-helene.chambier.etu@univ-lemans.f [Laboratoire des Oxydes et Fluorures, UMR-CNRS 6010, Universite du Maine, 72085 Le Mans Cedex 9 (France); Ibberson, R.M. [ISIS Facility, STFC-Rutherford Appleton Laboratory, Harwell Science and Innovation Campus, Didcot OX11 0QX (United Kingdom); Goutenoire, F., E-mail: francois.goutenoire@univ-lemans.f [Laboratoire des Oxydes et Fluorures, UMR-CNRS 6010, Universite du Maine, 72085 Le Mans Cedex 9 (France)

    2010-06-15T23:59:59.000Z

    The structure of the high temperature alpha form of La{sub 6}W{sub 2}O{sub 15} has been determined ab-initio from high temperature laboratory X-ray and neutron time-of-flight data. This tungstate crystallizes in the non-centrosymmetric orthorhombic space group (No. 20) C222{sub 1}, with Z=2, a=12.6250(2) A, b=9.1875(1) A, c=5.9688(1) A. The structure comprises [O{sub 2}La{sub 3}] infinite ribbons and is better described by the structural formula [O{sub 2}La{sub 3}]{sub 2}[WO{sub 5.5}]{sub 2}. Using this description we can understand the strong structural similarity of the present compound with compounds of the general composition BiM{sub 2}AO{sub 6} (M=Cu, Mg, Zn, Mn, Cd, Ca, Pb; A=P, As, V) described as [O{sub 2}M{sub 2}Bi][AO{sub 4}]. The [WO{sub 5.5}] entity implies oxygen disorder in the material. - Graphical abstract: Projection of the polyhedra around the tungsten atom. Atoms labelled in grey are occupied at 50%. Short oxygen-oxygen distances are marked. The polyhedra represents WO{sub 5.5} that is related to the structural unit W{sub 2}O{sub 11} unit. Alpha-La{sub 6}W{sub 2}O{sub 15} could be described as [O{sub 2}La{sub 3}]{sub 2}[WO{sub 5.5}]{sub 2}.

  19. FIELD SCREENING FOR HALOGENATED VOLATILE ORGANIC COMPOUNDS

    SciTech Connect (OSTI)

    John F. Schabron; Joseph F. Rovani, Jr.; Theresa M. Bomstad

    2003-07-01T23:59:59.000Z

    Western Research Institute (WRI) is continuing work toward the development of new screening methodology and a test kit to measure halogenated volatile organic compounds (VOCs) in the field. Heated diode and corona discharge sensors are commonly used to detect leaks of refrigerants from air conditioners, freezers, and refrigerators. They are both selective to the presence of halogens. In prior work, the devices were tested for response to carbon tetrachloride, heptane, toluene, and water vapors. In the current work, sensor response was evaluated with sixteen halogenated VOCs relative to carbon tetrachloride. The results show that the response of the various chlorinated VOCs is within an order of magnitude of the response to carbon tetrachloride for each of the sensors. Thus, for field screening a single response factor can be used. Both types of leak detectors are being further modified to provide an on-board LCD signal readout, which is related to VOC concentration. The units will be fully portable and will operate with 115-V line or battery power. Signal background, noise level, and response data on the Bacharach heated diode detector and the TIF corona discharge detector show that when the response curves are plotted against the log of concentration, the plot is linear to the upper limit for the particular unit, with some curvature at lower levels. When response is plotted directly against concentration, the response is linear at the low end and is curved at the high end. The dynamic ranges for carbon tetrachloride of the two devices from the lower detection limit (S/N=2) to signal saturation are 4-850 vapor parts per million (vppm) for the corona discharge unit and 0.01-70 vppm for the heated diode unit. Additional circuit modifications are being made to lower the detection limit and increase the dynamic response range of the corona discharge unit. The results indicate that both devices show potential utility for future analytical method development work toward the goal of developing a portable test kit for screening halogenated VOCs in the field.

  20. Directional drilling sub

    SciTech Connect (OSTI)

    Benoit, L.F.

    1980-09-02T23:59:59.000Z

    A directional drilling ''sub'' provides a shifting end portion which allows the sub to be rotated from a first in-line axially straight orientation with the drill string to a second angled or ''bent'' position which second position is normally associated with conventional bent ''subs'' which are permanently structured in the bent position. The device shifts from the first (In-line) position to the second (Bent) position upon the application of torsional force thereto which torsional force can be applied, for example, by the actuation of a ''turbodrill'' (Normally attached thereto in operation). The device can be manufactured or machined to provide varying angles to the sub in its bent position to satisfy differing directional drilling situations. The axially aligned first position allows easy entry of the drill string, sub , and turbodrill into the well hole, while the second bend position is used to commence directional drilling. The sub will return gradually to its original axially aligned position when the device is withdrawn from the wellhole, as such position is the path of minimum resistance for the withdrawing drill string and torsion is not present to hold the sub in the bent position.

  1. Combustion properties of coal-char blends: NO{sub x} emission characteristics. [Quarterly] technical report, March 1, 1993--May 31, 1993

    SciTech Connect (OSTI)

    Rostam-Abadi, M.; Khan, L.; Khan, S. [Illinois State Geological Survey, Champaign, IL (United States); Smoot, L.D.; Germane, G.J.; Eatough, C.N. [Brigham Young Univ., Provo, UT (United States). Advanced Combustion Engineering Research Center

    1993-09-01T23:59:59.000Z

    Tests under pulverized coal combustion conditions suggest that NO{sub x} formed during release of volatile matter far exceed NO{sub x} formed during combustion of the resulting char. This is attributed to char/NO{sub x} interactions by both direct reduction of NO{sub x} by carbon and char-catalyzed reduction by CO. This implies combustion of char not only produces substantially lower NO{sub x} but the presence of char in the flame during initial stages of combustion may potentially provide catalytic activity for reduction of NO{sub x} produced from volatile nitrogen. The goal of the project is to determine if the concept of NO{sub x} reduction by char/NO{sub x} interactions, while maintaining a high combustion efficiency by co-firing coal with char, is a technically feasible way to reduce NO{sub x}, emissions. The project will provide important combustion data required to establish the feasibility of utilizing chars in industrial combustion applications and the advantages of burning coal-char blends in reducing NO{sub x} and SO{sub 2} emissions. During the reporting period, 19 runs were made with a continuous feed charring oven (CFCO) to produce 237 pounds of char(about 16%vm) required for preparing coal-char blends.

  2. Physical-chemical NO/sub x/ mechanisms in fluidized bed combustion

    SciTech Connect (OSTI)

    Bywater, R. J.

    1980-11-03T23:59:59.000Z

    Fluidized bed combustors operate in the large-particle (> 1 mm) high-velocity (> 1 m/s) fluidization regime which differs from most previous applications. These characteristics foster a distinctive volatiles evolution structure in the vicinity of the coal injectors of bottom-fed atmospheric fluidized beds (AFBC). The evolution of coal volatiles associated with bottom-fed AFBC was defined as the focal point. The major effort of the work was concerned with a group combustion model of dense gas/solids mixtures of devolatilizing coal being injected into the bottom of an AFBC. Critical development needs were defined in the area of solids circulation and injector design which impact both basic FBC design and NO/sub x/ emissions. Results of model calculations identified important new physical-chemical mechanisms influencing NO/sub x/ emissions.

  3. Modeling CO{sub 2}-Brine-Rock Interaction Including Mercury and H{sub 2}S Impurities in the Context of CO{sub 2} Geologic Storage

    SciTech Connect (OSTI)

    Spycher, N.; Oldenburg, C.M.

    2014-01-01T23:59:59.000Z

    This study uses modeling and simulation approaches to investigate the impacts on injectivity of trace amounts of mercury (Hg) in a carbon dioxide (CO{sub 2}) stream injected for geologic carbon sequestration in a sandstone reservoir at ~2.5 km depth. At the range of Hg concentrations expected (7-190 ppbV, or ~ 0.06-1.6 mg/std.m{sup 3}CO{sub 2}), the total volumetric plugging that could occur due to complete condensation of Hg, or due to complete precipitation of Hg as cinnabar, results in a very small porosity change. In addition, Hg concentration much higher than the concentrations considered here would be required for Hg condensation to even occur. Concentration of aqueous Hg by water evaporation into CO{sub 2} is also unlikely because the higher volatility of Hg relative to H{sub 2}O at reservoir conditions prevents the Hg concentration from increasing in groundwater as dry CO{sub 2} sweeps through, volatilizing both H{sub 2}O and Hg. Using a model-derived aqueous solution to represent the formation water, batch reactive geochemical modeling show that the reaction of the formation water with the CO{sub 2}-Hg mixture causes the pH to drop to about 4.7 and then become buffered near 5.2 upon reaction with the sediments, with a negligible net volume change from mineral dissolution and precipitation. Cinnabar (HgS(s)) is found to be thermodynamically stable as soon as the Hg-bearing CO{sub 2} reacts with the formation water which contains small amounts of dissolved sulfide. Liquid mercury (Hg(l)) is not found to be thermodynamically stable at any point during the simulation. Two-dimensional radial reactive transport simulations of CO{sub 2} injection at a rate of 14.8 kg/s into a 400 m-thick formation at isothermal conditions of 106°C and average pressure near 215 bar, with varying amounts of Hg and H{sub 2}S trace gases, show generally that porosity changes only by about ±0.05% (absolute, i.e., new porosity = initial porosity ±0.0005) with Hg predicted to readily precipitate from the CO{sub 2} as cinnabar in a zone mostly matching the single-phase CO{sub 2} plume. The precipitation of minerals other than cinnabar, however, dominates the evolution of porosity. Main reactions include the replacement of primarily Fe-chlorite by siderite, of calcite by dolomite, and of K-feldspar by muscovite. Chalcedony is also predicted to precipitate from the dissolution of feldspars and quartz. Although the range of predicted porosity change is quite small, the amount of dissolution and precipitation predicted for these individual minerals is not negligible. These reactive transport simulations assume that Hg gas behaves ideally. To examine effects of non-ideality on these simulations, approximate calculations of the fugacity coefficient of Hg in CO{sub 2} were made. Results suggest that Hg condensation could be significantly overestimated when assuming ideal gas behavior, making our simulation results conservative with respect to impacts on injectivity. The effect of pressure on Henry’s constant for Hg is estimated to yield Hg solubilities about 10% lower than when this effect is not considered, a change that is considered too small to affect the conclusions of this report. Although all results in this study are based on relatively mature data and modeling approaches, in the absence of experimental data and more detailed site-specific information, it is not possible to fully validate the results and conclusions.

  4. Characterization of nanosized Al{sub 2}(WO{sub 4}){sub 3}

    SciTech Connect (OSTI)

    Nihtianova, D., E-mail: diana.nihtianova@gmail.com [Institute of Mineralogy and Crystallography, Bulgarian Academy of Sciences, Acad. Georgi Bonchev Str., bl. 107, 1113 Sofia (Bulgaria); Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, Acad. Georgi Bonchev Str., bl. 11, 1113 Sofia (Bulgaria); Velichkova, N., E-mail: veli4kov@svr.igic.bas.bg [Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, Acad. Georgi Bonchev Str., bl. 11, 1113 Sofia (Bulgaria); Nikolova, R., E-mail: rosica.pn@clmc.bas.bg [Institute of Mineralogy and Crystallography, Bulgarian Academy of Sciences, Acad. Georgi Bonchev Str., bl. 107, 1113 Sofia (Bulgaria); Koseva, I., E-mail: ikosseva@svr.igic.bas.bg [Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, Acad. Georgi Bonchev Str., bl. 11, 1113 Sofia (Bulgaria); Yordanova, A., E-mail: a.yordanova@svr.igic.bas.bg [Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, Acad. Georgi Bonchev Str., bl. 11, 1113 Sofia (Bulgaria); Nikolov, V., E-mail: vnikolov@svr.igic.bas.bg [Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, Acad. Georgi Bonchev Str., bl. 11, 1113 Sofia (Bulgaria)

    2011-11-15T23:59:59.000Z

    Graphical abstract: TEM method allows to detect small quantities of impurities not detectable by other methods. In our case impurities of W{sub 5}O{sub 14} are detected in Al{sub 2}(WO{sub 4}){sub 3} nanopowder. Highlights: {yields} Nanosized Al{sub 2}(WO{sub 4}){sub 3} by simple co-precipitation method. {yields} Spherical particles with mean size of 22 nm distributed between 10 and 40 nm at 630 {sup o}C. {yields} XRD, DTA and TEM confirm well defined products with perfect structure. {yields} TEM locality allows detection of impurities not detectable by XRD and DTA. -- Abstract: Nanosized aluminum tungstate Al{sub 2}(WO{sub 4}){sub 3} was prepared by co-precipitation reaction between Na{sub 2}WO{sub 4} and Al(NO{sub 3}){sub 3} aqueous solutions. The powder size and shape, as well as size distribution are estimated after different conditions of powder preparation. The purity of the final product was investigated by XRD and DTA analyses, using the single crystal powder as reference. Between the specimen and the reference no difference was detected. The crystal structure of Al{sub 2}(WO{sub 4}){sub 3} nanosized powder was confirmed by TEM (SAED, HRTEM). In additional, TEM locality allows to detect some W{sub 5}O{sub 14} impurities, which are not visible by conventional X-ray powder diffraction and thermal analyses.

  5. The polygallides: Yb{sub 3}Ga{sub 7}Ge{sub 3} and YbGa{sub 4}Ge{sub2}.

    SciTech Connect (OSTI)

    Peter, S. C.; Malliakas, C. D.; Nakotte, H.; Kothapilli, K.; Rayaprol, S.; Schultz, A. J.; Kanatzidis, M. G. (Materials Science Division); ( XSD); (Northwestern Univ.); (Jawaharlal Nehru Centre for Adv. Sci. Res.); (New Mexico State Univ.); (Los Alamos Nat. Lab.); (UGC-DAE Consortium for Sci. Res.)

    2012-03-01T23:59:59.000Z

    Yb{sub 3}Ga{sub 7}Ge{sub 3} and YbGa{sub 4}Ge{sub 2} were obtained from reactions of Yb and Ge in excess liquid gallium. The crystal structure of Yb{sub 3}Ga{sub 7}Ge{sub 3} was refined using X-ray and neutron diffraction data on selected single crystals. Yb{sub 3}Ga{sub 7}Ge{sub 3} crystallizes in the monoclinic space group C2/c with lattice constants a = 12.2261(20) {angstrom}, b = 10.7447(20) {angstrom}, c = 8.4754(17) {angstrom} and {beta} = 110.288(30){sup o} (neutron diffraction data). The crystal structure of Yb{sub 3}Ga{sub 7}Ge{sub 3} is an intergrowth of planar layers of YbGa{sub x}Ge{sub y} and puckered layers of (Ge)n. YbGa{sub 4}Ge{sub 2} crystallizes in a modified PuGa{sub 6} structure type in the tetragonal polar space group I4cm with lattice constants a = b = 5.9874(6) {angstrom} and c = 15.1178(19) {angstrom}. The structure of YbGa{sub 4}Ge{sub 2} is an intergrowth of puckered Ga layers and puckered Ga{sub x}Ge{sub y} layers with Yb atoms residing within the channels formed by the connection of the two layers. Physical properties, resistivity ({rho}), magnetic susceptibility ({chi}) and specific heat (C) were measured for Yb{sub 3}Ga{sub 7}Ge{sub 3}. No magnetic ordering was observed. It was found that at low temperatures, {rho} varied as T{sup 2} and C{alpha}T, indicating Fermi-liquid regime in Yb{sub 3}Ga{sub 7}Ge{sub 3} at low temperatures.

  6. Freeway Short-Term Traffic Flow Forecasting by Considering Traffic Volatility Dynamics and Missing Data Situations

    E-Print Network [OSTI]

    Zhang, Yanru

    2012-10-19T23:59:59.000Z

    , assuming constant variance when perform forecasting. This method does not consider the volatility nature of traffic flow data. This paper demonstrated that the variance part of traffic flow data is not constant, and dependency exists. A volatility model...

  7. Quantifying the value that wind power provides as a hedge against volatile natural gas prices

    E-Print Network [OSTI]

    Bolinger, Mark; Wiser, Ryan; Golove, William

    2002-01-01T23:59:59.000Z

    Gas Pricing by Regulated Natural Gas Utilities, Docket No.A HEDGE AGAINST VOLATILE NATURAL GAS PRICES Mark Bolinger,A HEDGE AGAINST VOLATILE NATURAL GAS PRICES Mark Bolinger,

  8. Carbon tetrachloride contamination, 200 West Area, Hanford Site: Arid Site Integrated Demonstration for remediation of volatile organic compounds

    SciTech Connect (OSTI)

    Last, G.V. (Pacific Northwest Lab., Richland, WA (United States)); Rohay, V.J. (Westinghouse Hanford Co., Richland, WA (United States))

    1991-05-06T23:59:59.000Z

    The Arid State Integrated Demonstration is a US Department of Energy (DOE) program targeted at the acquisition, development, demonstration, and deployment of technologies for evaluation and cleanup of volatile organic and associated contaminants in soils and ground waters. Several DOE laboratories, universities, and industry will participate in the program. Candidate technologies will be demonstrated in the areas of site characterization; performance prediction, monitoring, and evaluations; contaminant extraction and ex situ treatment; in situ remediations; and site closure and monitoring. The performance of these demonstrated technologies will be compared to baseline technologies and documented to promote the transfer of new technologies to industry for use at DOE facilities. The initial host site is the Hanford Site's 200 West Area. The location of the demonstration contains primarily carbon tetrachloride (CCl{sub 4}), chloroform, and a variety of associated mixed waste contaminants. Chemical processes used to recover and purify plutonium at Hanford's plutonium finishing plant (Z Plant) resulted in the production of actinide-bearing waste liquid. Both aqueous and organic liquid wastes were generated, and were routinely discharged to subsurface disposal facilities. The primary radionuclide in the waste streams was plutonium, and the primary organic was CCl{sub 4}. This paper contains brief descriptions of the principal CCl{sub 4} waste disposal facilities in Hanford's 200 West Area, associated hydrogeology, existing information on the extent of soil and ground-water contamination, and a conceptual outline of suspected subsurface CCl{sub 4} distributions.

  9. Carbon tetrachloride contamination, 200 West Area, Hanford Site: Arid Site Integrated Demonstration for remediation of volatile organic compounds

    SciTech Connect (OSTI)

    Last, G.V. [Pacific Northwest Lab., Richland, WA (United States); Rohay, V.J. [Westinghouse Hanford Co., Richland, WA (United States)

    1991-05-06T23:59:59.000Z

    The Arid State Integrated Demonstration is a US Department of Energy (DOE) program targeted at the acquisition, development, demonstration, and deployment of technologies for evaluation and cleanup of volatile organic and associated contaminants in soils and ground waters. Several DOE laboratories, universities, and industry will participate in the program. Candidate technologies will be demonstrated in the areas of site characterization; performance prediction, monitoring, and evaluations; contaminant extraction and ex situ treatment; in situ remediations; and site closure and monitoring. The performance of these demonstrated technologies will be compared to baseline technologies and documented to promote the transfer of new technologies to industry for use at DOE facilities. The initial host site is the Hanford Site`s 200 West Area. The location of the demonstration contains primarily carbon tetrachloride (CCl{sub 4}), chloroform, and a variety of associated mixed waste contaminants. Chemical processes used to recover and purify plutonium at Hanford`s plutonium finishing plant (Z Plant) resulted in the production of actinide-bearing waste liquid. Both aqueous and organic liquid wastes were generated, and were routinely discharged to subsurface disposal facilities. The primary radionuclide in the waste streams was plutonium, and the primary organic was CCl{sub 4}. This paper contains brief descriptions of the principal CCl{sub 4} waste disposal facilities in Hanford`s 200 West Area, associated hydrogeology, existing information on the extent of soil and ground-water contamination, and a conceptual outline of suspected subsurface CCl{sub 4} distributions.

  10. Quantifying the value that energy efficiency and renewable energy provide as a hedge against volatile natural gas prices

    E-Print Network [OSTI]

    Bolinger, Mark; Wiser, Ryan; Bachrach, Devra; Golove, William

    2002-01-01T23:59:59.000Z

    Gas Pricing by Regulated Natural Gas Utilities, Docket No.a Hedge Against Volatile Natural Gas Prices Mark Bolinger,wake of unprecedented natural gas price volatility during

  11. Ammonia volatilization from surface application of ammonium sulfate to carbonate systems

    E-Print Network [OSTI]

    Feagley, Sam Edward

    1976-01-01T23:59:59.000Z

    from surface application of' ammonium fertilizers to calcareous soils 7 Ammonia Volatilization from Limed, Acid Soil Comparison of ammonia vole, tilization from different ammonium fertilizers Other factors affecting ammonia volatilization 10...-Newman-Keul's multiple range analysis of ammonia volatilization from a limed, acid soil supporting Coastal bermudagrass as affected by calcium carbonate . 58 Student-Newman-Keul's multiple range analysis of ammonia volatilization i'rom a limed. , acid soil supporting...

  12. Neuropeptide alterations in the tree shrew hypothalamus during volatile anesthesia

    E-Print Network [OSTI]

    Neuropeptide alterations in the tree shrew hypothalamus during volatile anesthesia Laetitia perception and brain cognitive state. Prolonged general anesthesia has an impact on many of these processes anesthesia administered accompanying a neurosurgical procedure. Using a predicted-peptide database and hybrid

  13. Volatility Persistence in Crude Oil Markets Amlie CHARLES

    E-Print Network [OSTI]

    Boyer, Edmond

    , reflecting rising demand for crude oil, particularly from developing nations. Oil prices have been veryVolatility Persistence in Crude Oil Markets Amélie CHARLES Audencia Nantes, School of Management oil markets ­ Brent, West Texas Intermediate (WTI) and Organization of Petroleum Exporting Countries

  14. Enhanced phytoremediation of volatile environmental pollutants with transgenic trees

    E-Print Network [OSTI]

    of plants for the treatment of environmental pollutants (1, 2). Plants act as solar-powered pumpEnhanced phytoremediation of volatile environmental pollutants with transgenic trees Sharon L. Doty 98195-2100; Department of Civil and Environmental Engineering, University of Washington, Seattle, WA

  15. Predicting Market-Volatility from Federal Reserve Board Meeting Minutes

    E-Print Network [OSTI]

    Gordon, Geoffrey J.

    been applied to predict intra-day stock market returns, e.g. by (Pui Cheong Fung et al., 2003Predicting Market-Volatility from Federal Reserve Board Meeting Minutes NLP for Finance Reza Bosagh Zadeh, Andreas Zollmann 1 Introduction Predicting markets has always had a certain appeal to researchers

  16. Modeling Energy Market Volatility Using REMI October 2010

    E-Print Network [OSTI]

    Johnson, Eric E.

    ;Disclaimer #12;Some Background on Energy Market Volatility (EMV) · EMV is defined here to include price techniques #12;Some Specifics · Energy Prices in real (and nominal) terms are highly variable ­ Including oil Sources: WTI prices from EIA, Short Term Energy Outlook, Table 2 and GDP deflator from Bureau of Economic

  17. Volatile Organic Compounds in Untreated Ambient Groundwater of

    E-Print Network [OSTI]

    Volatile Organic Compounds in Untreated Ambient Groundwater of the United States, 1985-1995 P A U L, ambient groundwater of the conterminous United States was conducted based on samples collected from 2948-chloropropane, which had a reporting level of 1.0 µg/L. Because ambient groundwater was targeted, areas of known

  18. Ammonia volatilization from soils with surface rice straw residue

    E-Print Network [OSTI]

    Barghassa, Peyam

    1995-01-01T23:59:59.000Z

    rice residue and related factors on NH3 volatilization from an acid Beaumont clay (pH 5.4) and an alkaline Lake Charles clay (pH 7.4). The treatments in the greenhouse and lab consisted of all possible combinations of the following variables: surface...

  19. Phase equilibria in the quasi-ternary system Ag{sub 2}Se–Ga{sub 2}Se{sub 3}–In{sub 2}Se{sub 3} and physical properties of (Ga{sub 0.6}In{sub 0.4}){sub 2}Se{sub 3}, (Ga{sub 0.594}In{sub 0.396}Er{sub 0.01}){sub 2}Se{sub 3} single crystals

    SciTech Connect (OSTI)

    Ivashchenko, I.A., E-mail: inna.ivashchenko@mail.ru [Department of Inorganic and Physical Chemistry, Eastern European National University, Voli Ave 13, Lutsk 43025 (Ukraine); Danyliuk, I.V.; Olekseyuk, I.D. [Department of Inorganic and Physical Chemistry, Eastern European National University, Voli Ave 13, Lutsk 43025 (Ukraine); Halyan, V.V. [Department of General Physics, Eastern European National University, Voli Ave 13, Lutsk 43025 (Ukraine)

    2014-02-15T23:59:59.000Z

    The quasi-ternary system Ag{sub 2}Se–Ga{sub 2}Se{sub 3}–In{sub 2}Se{sub 3} was investigated by differential thermal, X-ray phase, X-ray structure, microstructure analysis and microhardness measurements. Five quasi-binary phase diagrams, six polythermal sections, isothermal section at 820 K and the liquidus surface projection were constructed. The character and temperature of the invariant processes were determined. The specific resistance of the single crystals (Ga{sub 0.6}In{sub 0.4}){sub 2}Se{sub 3}, (Ga{sub 0.594}In{sub 0.396}Er{sub 0.01}){sub 2}Se{sub 3} was measured, 7.5×10{sup 5} and 3.15×10{sup 5} ? m, respectively, optical absorption spectra in the 600–1050 nm range were recorded at room temperature, and the band gap energy was estimated which is 1.95±0. 01 eV for both samples. - Graphical abstract: The article reports for the first time the investigated liquidus surface projection of the Ag{sub 2}Se–Ga{sub 2}Se{sub 3}–In{sub 2}Se{sub 3} system and isothermal section at 820 K of the system. Five phase diagrams, six polythermal sections, isothermal section at 820 K and the liquidus surface projection were built at the first time. The existence of the large region of the solid solutions based on AgIn{sub 5}Se{sub 8}, Ga{sub 2}Se{sub 3} and AgGa{sub 1?x}In{sub x}Se{sub 2} was investigated. The existence of two ternary phases was established in the Ga{sub 2}Se{sub 3}–In{sub 2}Se{sub 3} system. Two single crystals (Ga{sub 0.6}In{sub 0.4}){sub 2}Se{sub 3}, (Ga{sub 0.594}In{sub 0.396}Er{sub 0.01}){sub 2}Se{sub 3} were grown and some of optical properties of them were studied at first time. Display Omitted - Highlights: • Liquidus surface projection was built for Ag{sub 2}Se–Ga{sub 2}Se{sub 3}–In{sub 2}Se{sub 3} system. • Solid solution ranges of AgIn{sub 5}Se{sub 8}, Ga{sub 2}Se{sub 3} and AgGa{sub 1?x}In{sub x}Se{sub 2} were investigated. • Two single crystals (Ga{sub 0.6}In{sub 0.4}){sub 2}Se{sub 3}, (Ga{sub 0.594}In{sub 0.396}Er{sub 0.01}){sub 2}Se{sub 3} were grown. • Some optical properties of these single crystals were studied.

  20. ELSEVIER Physica A 245 (1997) 441445 Volatility distribution in the S&P500 stock index

    E-Print Network [OSTI]

    1997-01-01T23:59:59.000Z

    Cizeau a, Yanhui Liu a, Martin Meyer a, C.-K. Peng b,a, H. Eugene Stanley a,. aCenter Jbr Polymer Studies Deaconess Medical Center, Boston, MA 02215, USA Received 15 August 1997 Abstract We study the volatility; Volatility; S&P500; Multiplicative processes The volatility is a measure of the mean fluctuation of a market

  1. Chemical oxidation of volatile and semi-volatile organic compounds in soil

    SciTech Connect (OSTI)

    Gates, D.D.; Siegrist, R.L.; Cline, S.R.

    1995-06-01T23:59:59.000Z

    Subsurface contamination with fuel hydrocarbons or chlorinated hydrocarbons is prevalent throughout the Department of Energy (DOE) complex and in many sites managed by the Environmental Protection Agency (EPA) Superfund program. The most commonly reported chlorinated hydrocarbons (occurring > 50% of DOE contaminated sites) were trichloroethylene (TCE), 1, 1, 1,-trichloroethane (TCA), and tetrachloroethylene (PCE) with concentrations in the range of 0.2 {mu}g/kg to 12,000 mg/kg. The fuel hydrocarbons most frequently reported as being present at DOE sites include aromatic compounds and polyaromatic compounds such as phenanthrene, pyrene, and naphthalene. The primary sources of these semi-volatile organic compounds (SVOCs) are coal waste from coal fired electric power plants used at many of these facilities in the past and gasoline spills and leaks. Dense non-aqueous phase liquids (DNAPLs) can migrate within the subsurface for long periods of time along a variety of pathways including fractures, macropores, and micropores. Diffusion of contaminants in the non-aqueous, aqueous, and vapor phase can occur from the fractures and macropores into the matrix of fine-textured media. As a result of these contamination processes, removal of contaminants from the subsurface and the delivery of treatment agents into and throughout contaminated regions are often hindered, making rapid and extensive remediation difficult.

  2. Tunneling study of epitaxial YBa sub 2 Cu sub 3 O sub x superconducting films

    SciTech Connect (OSTI)

    Boguslavsky, Y.M.; Rudenko, E.M.; Mukhortov, V.M. (Inst. of Metal Physics, Ukrainian Academy of Sciences, 36 Vernadsky str. 252142, Kiev-142 (SU))

    1991-03-01T23:59:59.000Z

    This paper presents planar and edge-type tunnel junctions YBa{sub 2}Cu{sub 3}O{sub x}-metal (Pb,Pt,In) based on epitaxial Y-Ba-Cu-O films. Features of conductance characteristics of these junctions, mainly conductance zero bias anomalies, have been considered. We have observed the difference between the R{sub d}(V) dependences for two types of the contacts at low bias voltages V {approx lt}5 mV. This difference probably linked with an anisotropy of the states density N ({epsilon}) in near-contact region of YBa{sub 2}Cu{sub 3}O{sub x}. Existence of the correlation in the temperature dependences of the states density of YBa{sub 2}Cu{sub 3}O{sub x} along the Cu-O planes and perpendicularly to them have been observed.

  3. The polygallides: Yb{sub 3}Ga{sub 7}Ge{sub 3} and YbGa{sub 4}Ge{sub 2}

    SciTech Connect (OSTI)

    Peter, Sebastian C. [Department of Chemistry, Northwestern University, 2145N. Sheridan Road, Evanston, IL 60208 (United States); New Chemistry Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bangalore 560064 (India); Malliakas, Christos D. [Department of Chemistry, Northwestern University, 2145N. Sheridan Road, Evanston, IL 60208 (United States); Nakotte, Heinze; Kothapilli, Karunakar [Physics Department, New Mexico State University, Las Cruces, NM 88003 (United States); Los Alamos Neutron Science Center, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Rayaprol, Sudhindra [UGC-DAE Consortium for Scientific Research, Mumbai Centre, BARC, R-5 Shed, Trombay, Mumbai 400085 (India); Schultz, Arthur J. [X-Ray Science Division, Argonne National Laboratory, Argonne, IL 60439 (United States); Kanatzidis, Mercouri G., E-mail: m-kanatzidis@northwestern.edu [Department of Chemistry, Northwestern University, 2145N. Sheridan Road, Evanston, IL 60208 (United States); Materials Science Division, Argonne National Laboratory, Argonne, IL 60439 (United States)

    2012-03-15T23:59:59.000Z

    Yb{sub 3}Ga{sub 7}Ge{sub 3} and YbGa{sub 4}Ge{sub 2} were obtained from reactions of Yb and Ge in excess liquid gallium. The crystal structure of Yb{sub 3}Ga{sub 7}Ge{sub 3} was refined using X-ray and neutron diffraction data on selected single crystals. Yb{sub 3}Ga{sub 7}Ge{sub 3} crystallizes in the monoclinic space group C2/c with lattice constants a=12.2261(20) Angstrom-Sign , b=10.7447(20) Angstrom-Sign , c=8.4754(17) Angstrom-Sign and {beta}=110.288(30) Degree-Sign (neutron diffraction data). The crystal structure of Yb{sub 3}Ga{sub 7}Ge{sub 3} is an intergrowth of planar layers of YbGa{sub x}Ge{sub y} and puckered layers of (Ge){sub n}. YbGa{sub 4}Ge{sub 2} crystallizes in a modified PuGa{sub 6} structure type in the tetragonal polar space group I4cm with lattice constants a=b=5.9874(6) Angstrom-Sign and c=15.1178(19) Angstrom-Sign . The structure of YbGa{sub 4}Ge{sub 2} is an intergrowth of puckered Ga layers and puckered Ga{sub x}Ge{sub y} layers with Yb atoms residing within the channels formed by the connection of the two layers. Physical properties, resistivity ({rho}), magnetic susceptibility ({chi}) and specific heat (C) were measured for Yb{sub 3}Ga{sub 7}Ge{sub 3}. No magnetic ordering was observed. It was found that at low temperatures, {rho} varied as T{sup 2} and C{proportional_to}T, indicating Fermi-liquid regime in Yb{sub 3}Ga{sub 7}Ge{sub 3} at low temperatures. - Graphical abstract: The compounds Yb{sub 3}Ga{sub 7}Ge{sub 3} and YbGa{sub 4}Ge{sub 2} are obtained from reactions of Yb and Ge in excess liquid gallium. Highlights: Black-Right-Pointing-Pointer Yb{sub 3}Ga{sub 7}Ge{sub 3} and YbGa{sub 4}Ge{sub 2} are two new polygallides. Black-Right-Pointing-Pointer The crystal structure of Yb{sub 3}Ga{sub 7}Ge{sub 3} was established using neutron diffraction data. Black-Right-Pointing-Pointer YbGa{sub 4}Ge{sub 2} is one of the rare polar intermetallic compounds. Black-Right-Pointing-Pointer The physical properties of Yb{sub 3}Ga{sub 7}Ge{sub 3} point to a Fermi-liquid regime at low temperature.

  4. Observation of ?<sub>cJ> decays to ??ŻŻŻ????

    SciTech Connect (OSTI)

    Ablikim, M.; Achasov, M. N.; Ambrose, D. J.; An, F. F.; An, Q.; An, Z. H.; Bai, J. Z.; Ban, Y.; Becker, J.; Bennett, J. V.; Bertani, M.; Bian, J. M.; Boger, E.; Bondarenko, O.; Boyko, I.; Briere, R. A.; Bytev, V.; Cai, X.; Cakir, O.; Calcaterra, A.; Cao, G. F.; Cetin, S. A.; Chang, J. F.; Chelkov, G.; Chen, G.; Chen, H. S.; Chen, J. C.; Chen, M. L.; Chen, S. J.; Chen, Y. B.; Cheng, H. P.; Chu, Y. P.; Cronin-Hennessy, D.; Dai, H. L.; Dai, J. P.; Dedovich, D.; Deng, Z. Y.; Denig, A.; Denysenko, I.; Destefanis, M.; Ding, W. M.; Ding, Y.; Dong, L. Y.; Dong, M. Y.; Du, S. X.; Fang, J.; Fang, S. S.; Fava, L.; Feldbauer, F.; Feng, C. Q.; Ferroli, R. B.; Fu, C. D.; Fu, J. L.; Gao, Y.; Geng, C.; Goetzen, K.; Gong, W. X.; Gradl, W.; Greco, M.; Gu, M. H.; Gu, Y. T.; Guan, Y. H.; Guo, A. Q.; Guo, L. B.; Guo, Y. P.; Han, Y. L.; Harris, F. A.; He, K. L.; He, M.; He, Z. Y.; Held, T.; Heng, Y. K.; Hou, Z. L.; Hu, H. M.; Hu, J. F.; Hu, T.; Huang, G. M.; Huang, J. S.; Huang, X. T.; Huang, Y. P.; Hussain, T.; Ji, C. S.; Ji, Q.; Ji, X. B.; Ji, X. L.; Jiang, L. L.; Jiang, X. S.; Jiao, J. B.; Jiao, Z.; Jin, D. P.; Jin, S.; Jing, F. F.; Kalantar-Nayestanaki, N.; Kavatsyuk, M.; Kuehn, W.; Lai, W.; Lange, J. S.; Li, C. H.; Li, Cheng; Li, Cui; Li, D. M.; Li, F.; Li, G.; Li, H. B.; Li, J. C.; Li, K.; Li, Lei; Li, Q. J.; Li, S. L.; Li, W. D.; Li, W. G.; Li, X. L.; Li, X. N.; Li, X. Q.; Li, X. R.; Li, Z. B.; Liang, H.; Liang, Y. F.; Liang, Y. T.; Liao, G. R.; Liao, X. T.; Liu, B. J.; Liu, C. L.; Liu, C. X.; Liu, C. Y.; Liu, F. H.; Liu, Fang; Liu, Feng; Liu, H.; Liu, H. B.; Liu, H. H.; Liu, H. M.; Liu, H. W.; Liu, J. P.; Liu, K. Y.; Liu, Kai; Liu, P. L.; Liu, Q.; Liu, S. B.; Liu, X.; Liu, X. H.; Liu, Y. B.; Liu, Z. A.; Liu, Zhiqiang; Liu, Zhiqing; Loehner, H.; Lu, G. R.; Lu, H. J.; Lu, J. G.; Lu, Q. W.; Lu, X. R.; Lu, Y. P.; Luo, C. L.; Luo, M. X.; Luo, T.; Luo, X. L.; Lv, M.; Ma, C. L.; Ma, F. C.; Ma, H. L.; Ma, Q. M.; Ma, S.; Ma, T.; Ma, X. Y.; Ma, Y.; Maas, F. E.; Maggiora, M.; Malik, Q. A.; Mao, Y. J.; Mao, Z. P.; Messchendorp, J. G.; Min, J.; Min, T. J.; Mitchell, R. E.; Mo, X. H.; Morales Morales, C.; Motzko, C.; Muchnoi, N. Yu.; Muramatsu, H.; Nefedov, Y.; Nicholson, C.; Nikolaev, I. B.; Ning, Z.; Olsen, S. L.; Ouyang, Q.; Pacetti, S.; Park, J. W.; Pelizaeus, M.; Peng, H. P.; Peters, K.; Ping, J. L.; Ping, R. G.; Poling, R.; Prencipe, E.; Qi, M.; Qian, S.; Qiao, C. F.; Qin, X. S.; Qin, Y.; Qin, Z. H.; Qiu, J. F.; Rashid, K. H.; Rong, G.; Ruan, X. D.; Sarantsev, A.; Schaefer, B. D.; Schulze, J.; Shao, M.; Shen, C. P.; Shen, X. Y.; Sheng, H. Y.; Shepherd, M. R.; Song, X. Y.; Spataro, S.; Spruck, B.; Sun, D. H.; Sun, G. X.; Sun, J. F.; Sun, S. S.; Sun, Y. J.; Sun, Y. Z.; Sun, Z. J.; Sun, Z. T.; Tang, C. J.; Tang, X.; Tapan, I.; Thorndike, E. H.; Toth, D.; Ullrich, M.; Varner, G. S.; Wang, B.; Wang, B. Q.; Wang, K.; Wang, L. L.; Wang, L. S.; Wang, M.; Wang, P.; Wang, P. L.; Wang, Q.; Wang, Q. J.; Wang, S. G.; Wang, X. L.; Wang, Y. D.; Wang, Y. F.; Wang, Y. Q.; Wang, Z.; Wang, Z. G.; Wang, Z. Y.; Wei, D. H.; Weidenkaff, P.; Wen, Q. G.; Wen, S. P.; Werner, M.; Wiedner, U.; Wu, L. H.; Wu, N.; Wu, S. X.; Wu, W.; Wu, Z.; Xia, L. G.; Xiao, Z. J.; Xie, Y. G.; Xiu, Q. L.; Xu, G. F.; Xu, G. M.; Xu, H.; Xu, Q. J.; Xu, X. P.; Xu, Z. R.; Xue, F.; Xue, Z.; Yan, L.; Yan, W. B.; Yan, Y. H.; Yang, H. X.; Yang, Y.; Yang, Y. X.; Ye, H.; Ye, M.; Ye, M. H.; Yu, B. X.; Yu, C. X.; Yu, J. S.; Yu, S. P.; Yuan, C. Z.; Yuan, Y.; Zafar, A. A.; Zallo, A.; Zeng, Y.; Zhang, B. X.; Zhang, B. Y.; Zhang, C. C.; Zhang, D. H.; Zhang, H. H.; Zhang, H. Y.; Zhang, J. Q.; Zhang, J. W.; Zhang, J. Y.; Zhang, J. Z.; Zhang, S. H.; Zhang, X. J.; Zhang, X. Y.; Zhang, Y.; Zhang, Y. H.; Zhang, Y. S.; Zhang, Z. P.; Zhang, Z. Y.; Zhao, G.; Zhao, H. S.; Zhao, J. W.; Zhao, K. X.; Zhao, Lei; Zhao, Ling; Zhao, M. G.; Zhao, Q.; Zhao, S. J.; Zhao, T. C.; Zhao, X. H.; Zhao, Y. B.; Zhao, Z. G.; Zhemchugov, A.; Zheng, B.; Zheng, J. P.; Zheng, Y. H.; Zhong, B.; Zhong, J.; Zhou, L.; Zhou, X. K.; Zhou, X. R.; Zhu, C.; Zhu, K.; Zhu, K. J.; Zhu, S. H.; Zhu, X. L.; Zhu, X. W.; Zhu, Y. C.; Zhu, Y. M.; Zhu, Y. S.; Zhu, Z. A.; Zhuang, J.; Zou, B. S.; Zou, J. H.

    2012-09-01T23:59:59.000Z

    Decays of the ?<sub>cJ> states (J=0, 1, 2) to ??ŻŻŻ????, including processes with intermediate ?(1385), are studied through the E1 transition ?'???<sub>cJ> using 106×10? ?' events collected with the BESIII detector at BEPCII. This is the first observation of ?cJ decays to the final state ??ŻŻŻ????. The branching ratio of the intermediate process ?<sub>cJ>??(1385)±?ŻŻŻ(1385)? is also measured for the first time, and the results agree with the theoretical predictions based on the color-octet effect.

  5. As[sub 2]S[sub 3]/Sr(Ti[sub 0.7]Co[sub 0.3])O[sub 3] and As[sub 2]S[sub 3]/Sr(Ti[sub 0.6]Fe[sub 0.4])O[sub 3] strip-loaded waveguides for integrated magneto-optical isolator applications

    E-Print Network [OSTI]

    Bi, Lei

    Sr(Ti[sub 0.6]Fe[sub 0.4])O[sub 3] (STF) and Sr(Ti[sub 0.7]Co[sub 0.3])O[sub 3] (STC) room-temperature ferromagnetic oxides were grown epitaxially on LaAlO[sub 3](001), (LaSr)(AlTa)O[sub 3] (001) and Si (001) substrates. ...

  6. Metal-semiconductor-transition observed in Bi{sub 2}Ca(Sr, Ba){sub 2}Co{sub 2}O{sub 8+?} single crystals

    SciTech Connect (OSTI)

    Dong, Song-Tao [National Laboratory of Solid State Microstructures and Department of Material Science and Engineering, Nanjing University, Nanjing 210093 (China); Institute of Material Science and Engineering, Jiangsu University of Science and Technology, Zhenjiang 212003 (China); Zhang, Bin-Bin; Zhang, Lun-Yong; Yao, Shu-Hua, E-mail: ybchen@nju.edu.cn, E-mail: shyao@nju.edu.cn; Zhou, Jian; Zhang, Shan-Tao; Gu, Zheng-Bin; Chen, Yan-Feng [National Laboratory of Solid State Microstructures and Department of Material Science and Engineering, Nanjing University, Nanjing 210093 (China); Chen, Y. B., E-mail: ybchen@nju.edu.cn, E-mail: shyao@nju.edu.cn [National Laboratory of Solid State Microstructures and Department of Physics and National Laboratory of Solid State Microstructures, Nanjing University, Nanjing 210093 (China)

    2014-07-28T23:59:59.000Z

    Electrical property evolution of Bi{sub 2}AE{sub 2}Co{sub 2}O{sub 8+?} single crystals (AE?=?Ca, Sr and Ba) is systematically explored. When AE changes from Ca to Ba, the electrical property of Bi{sub 2}Ca{sub 2}Co{sub 2}O{sub 8+?} and Bi{sub 2}Sr{sub 2}Co{sub 2}O{sub 8+?} demonstrates semiconductor-like properties. But Bi{sub 2}Ba{sub 2}Co{sub 2}O{sub 8+?} shows the metallic behavior. Analysis of temperature-dependent resistance substantiates that from metallic Bi{sub 2}Ba{sub 2}Co{sub 2}O{sub 8+?} to semiconductor-like Bi{sub 2}Sr{sub 2}Co{sub 2}O{sub 8+?} can be attributed to Anderson localization. However the semiconductor behaviour of Bi{sub 2}Sr{sub 2}Co{sub 2}O{sub 8+?} and Bi{sub 2}Ca{sub 2}Co{sub 2}O{sub 8+?} is related to electronic correlations effect that is inferred by large negative magnetoresistance (?70%). The theoretical electronic structures and valence X-ray photoemission spectroscopy substantiate that there is a relative large density of state around Fermi level in Bi{sub 2}Ba{sub 2}Co{sub 2}O{sub 8+?} compared with other two compounds. It suggests that Bi{sub 2}Ba{sub 2}Co{sub 2}O{sub 8+?} is more apt to be metal in this material system.

  7. Kinetics of SH with NO/sub 2/, O/sub 3/, O/sub 2/, and H/sub 2/O/sub 2/

    SciTech Connect (OSTI)

    Friedl, R.R.; Brune, W.H.; Anderson, J.G.

    1985-12-05T23:59:59.000Z

    A low pressure (1-8 torr of He) discharge flow reactor with (a) LIF detection of SH using a high repetition rate (20 kHz) metal atom laser to circumvent severe predissociation of the A/sup 2/..sigma../sup +/ state and (b) resonance fluorescence detection of OH has been used to examine the kinetics of the title reactions at 298 K: SH + NO/sub 2/ ..-->.. HSO + NO, SH + O/sub 3/ ..-->.. HSO + O/sub 2/; SH + O/sub 2/ ..-->.. SO + OH, SH + H/sub 2/O/sub 2/ ..-->.. H/sub 2/S + HO/sub 2/; SH + H/sub 2/O/sub 2/ ..-->.. HSO + H/sub 2/O. Regeneration of SH in reaction 2 by HSO + O/sub 3/ is observed and is used to infer a rate constant for HSO + O/sub 3/ ..-->.. products. Absence of OH production in that reaction implies that the primary products are SH + 2O/sub 2/. Isotope experiments with H/sub 2/S replaced by D/sub 2/S substantiate that conclusion and yield a reaction rate constant for DSO + O/sub 3/ ..-->.. SD + 2O/sub 2/. Brief discussions of SH reactivity compared with OH and Br are offered, as well as a summary of the atmospheric chemistry of SH. 20 references, 7 figures.

  8. High temperature redox reactions with uranium: Synthesis and characterization of Cs(UO{sub 2})Cl(SeO{sub 3}), Rb{sub 2}(UO{sub 2}){sub 3}O{sub 2}(SeO{sub 3}){sub 2}, and RbNa{sub 5}U{sub 2}(SO{sub 4}){sub 7}

    SciTech Connect (OSTI)

    Babo, Jean-Marie [Department of Chemistry and Biochemistry, Florida State University, 95 Chieftan Way, Tallahassee, FL 32306-4390 (United States); Department of Civil and Environmental Engineering and Earth Sciences and Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, IN 46556 (United States); Albrecht-Schmitt, Thomas E., E-mail: talbrechtschmitt@gmail.com [Department of Chemistry and Biochemistry, Florida State University, 95 Chieftan Way, Tallahassee, FL 32306-4390 (United States)

    2013-10-15T23:59:59.000Z

    Cs(UO{sub 2})Cl(SeO{sub 3}) (1), Rb{sub 2}(UO{sub 2}){sub 3}O{sub 2}(SeO{sub 3}){sub 3} (2), and RbNa{sub 5}U{sub 2}(SO{sub 4}){sub 7} (3) single crystals were synthesized using CsCl, RbCl, and a CuCl/NaCl eutectic mixture as fluxes, respectively. Their lattice parameters and space groups are as follows: P2{sub 1}/n (a=6.548(1) Ĺ, b=11.052(2) Ĺ, c=10.666(2) Ĺ and ?=93.897(3)°), P1{sup Ż} (a=7.051(2) Ĺ, b=7.198(2) Ĺ, c=8.314(2) Ĺ, ?=107.897(3)°, ?=102.687(3)° and ?=100.564(3)°) and C2/c (a=17.862(4) Ĺ, b=6.931(1) Ĺ, c=20.133(4) Ĺ and ?=109.737(6)°. The small anionic building units found in these compounds are SeO{sub 3}{sup 2?} and SO{sub 4}{sup 2?} tetrahedra, oxide, and chloride. The crystal structure of the first compound is composed of [(UO{sub 2}){sub 2}Cl{sub 2}(SeO{sub 3}){sub 2}]{sup 2?} chains separated by Cs{sup +} cations. The structure of (2) is constructed from [(UO{sub 2}){sub 3}O{sub 11}]{sup 16?} chains further connected through selenite units into layers stacked perpendicularly to the [0 1 0] direction, with Rb{sup +} cations intercalating between them. The structure of compound (3) is made of uranyl sulfate layers formed by edge and vertex connections between dimeric [U{sub 2}O{sub 16}] and [SO{sub 4}] polyhedra. These layers contain unusual sulfate–metal connectivity as well as large voids. - Graphical abstract: A new family of uranyl selenites and sulfates has been prepared by high-temperature redox reactions. This compounds display new bonding motifs. Display Omitted - Highlights: • Low-dimensional Uranyl Oxoanion compounds. • Conversion of U(IV) to U(VI) at high temperatures. • Dimensional reduction by both halides and stereochemically active lone-pairs.

  9. Electronic and thermoelectric analysis of phases in the In<sub>2sub>O>3sub>(ZnO)k> system

    SciTech Connect (OSTI)

    Hopper, E. Mitchell; Zhu, Qimin; Song, Jung-Hwan; Peng, Haowei; Freeman, Arthur J.; Mason, Thomas O.

    2011-01-13T23:59:59.000Z

    The high-temperature electrical conductivity and thermopower of several compounds in the In<sub>2sub>O>3sub>(ZnO)k> system (k = 3, 5, 7, and 9) were measured, and the band structures of the k = 1, 2, and 3 structures were predicted based on first-principles calculations. These phases exhibit highly dispersed conduction bands consistent with transparent conducting oxide behavior. Jonker plots (Seebeck coefficient vs. natural logarithm of conductivity) were used to obtain the product of the density of states and mobility for these phases, which were related to the maximum achievable power factor (thermopower squared times conductivity) for each phase by Ioffe analysis (maximum power factor vs. Jonker plot intercept). With the exception of the k = 9 phase, all other phases were found to have maximum predicted power factors comparable to other thermoelectric oxides if suitably doped.

  10. Quantum Critical Transition Amplifies Magnetoelastic Coupling in Mn[N(CN)<sub>2sub>]>2sub>

    SciTech Connect (OSTI)

    Brinzari, T. V.; Chen, P.; Sun, Q.-C.; Liu, J.; Tung, L.-C.; Wang, Y.; Schlueter, J. A.; Singleton, J.; Manson, J. L.; Whangbo, M.-H.; Litvinchuk, A. P.; Musfeldt, J. L.

    2013-06-01T23:59:59.000Z

    We report the discovery of a magnetic quantum critical transition in Mn[N(CN)<sub>2sub>]>2sub> that drives the system from a canted antiferromagnetic state to the fully polarized state with amplified magnetoelastic coupling as an intrinsic part of the process. The local lattice distortions, revealed through systematic phonon frequency shifts, suggest a combined MnN<sub>6sub> octahedra distortion+counterrotation mechanism that reduces antiferromagnetic interactions and acts to accommodate the field-induced state. These findings deepen our understanding of magnetoelastic coupling near a magnetic quantum critical point and away from the static limit.

  11. The tomato carotenoid cleavage dioxygenase 1 genes contribute to the formation of the flavor volatiles b-ionone,

    E-Print Network [OSTI]

    Klee, Harry J.

    volatiles b-ionone, pseudoionone, and geranylacetone Andrew J. Simkin1 , Steven H. Schwartz2 , Michele

  12. Perturbation Expansion for Option Pricing with Stochastic Volatility

    E-Print Network [OSTI]

    Petr Jizba; Hagen Kleinert; Patrick Haener

    2007-08-22T23:59:59.000Z

    We fit the volatility fluctuations of the S&P 500 index well by a Chi distribution, and the distribution of log-returns by a corresponding superposition of Gaussian distributions. The Fourier transform of this is, remarkably, of the Tsallis type. An option pricing formula is derived from the same superposition of Black-Scholes expressions. An explicit analytic formula is deduced from a perturbation expansion around a Black-Scholes formula with the mean volatility. The expansion has two parts. The first takes into account the non-Gaussian character of the stock-fluctuations and is organized by powers of the excess kurtosis, the second is contract based, and is organized by the moments of moneyness of the option. With this expansion we show that for the Dow Jones Euro Stoxx 50 option data, a Delta-hedging strategy is close to being optimal.

  13. Method for refreshing a non-volatile memory

    SciTech Connect (OSTI)

    Riekels, James E. (New Hope, MN); Schlesinger, Samuel (Aventura, FL)

    2008-11-04T23:59:59.000Z

    A non-volatile memory and a method of refreshing a memory are described. The method includes allowing an external system to control refreshing operations within the memory. The memory may generate a refresh request signal and transmit the refresh request signal to the external system. When the external system finds an available time to process the refresh request, the external system acknowledges the refresh request and transmits a refresh acknowledge signal to the memory. The memory may also comprise a page register for reading and rewriting a data state back to the memory. The page register may comprise latches in lieu of supplemental non-volatile storage elements, thereby conserving real estate within the memory.

  14. Combustion properties of coal-char blends: NO{sub x} emission characteristics. Interim final technical report, September 1, 1992--August 31, 1993

    SciTech Connect (OSTI)

    Rostam-Abadi, M.; Khan, L.; Khan, S. [Illinois State Geological Survey, Champaign, IL (United States); Smoot, L.D.; Germane, G.J.; Eatough, C.N. [Brigham Young Univ., Provo, UT (United States). Advanced Combustion Engineering Research Center

    1993-12-31T23:59:59.000Z

    Under pulverized coal combustion conditions, NO{sub x} formed during the release of volatile matter far exceed NO{sub x} formed from combustion of the resulting char. It is believed that interactions of NO{sub x} with char is responsible for the reduced NO{sub x} formation from the combustion of char. The goal of this research is to assess the potential technical and economical benefits of co-firing coal-char blends in pulverized coal boilers to reduce NO{sub x}. The rationale for the proposed research is that the presence of char in the flame during the initial stages of combustion may provide catalytic activity for reduction of NO{sub x} produced from volatile nitrogen. This project is a cooperative effort between the Illinois State Geological Survey (ISGS) and BYU/ACERC. Seven hundred and fifty pounds of three coal-char blends containing 12.5%, 25%, and 50% char and 125 pounds of a coal-activated carbon blend containing 12.5% activated carbon were prepared. The volatile matter contents of the blends ranged from 27.3 to 35.6% (dry basis). Char (16.2 wt% volatile matter) was made from an Illinois No. 6 coal (Peabody Coal Company) in a continuous feed charring oven under mild gasification conditions. Nine combustion tests will be performed with the coal and blends in a 0.5--1.0 MBtu/hr combustor located at BYU. Combustion data will be analyzed to determine the effect of blend type, stoichiometry, and flame temperature on NO{sub x} formation, ignition characteristics, flame stability, and combustion efficiency. A four month no-cost extension has been requested for the project. The results of the combustion tests will be reported in the final technical report in December 1993.

  15. Reverse Monte Carlo simulation of Se{sub 80}Te{sub 20} and Se{sub 80}Te{sub 15}Sb{sub 5} glasses

    SciTech Connect (OSTI)

    Abdel-Baset, A. M.; Rashad, M. [Physics Department, Faculty of Science , Assiut University, Assiut, P.O. Box 71516 (Egypt); Moharram, A. H. [Faculty of Science, King Abdul Aziz Univ., Rabigh Branch, P.O. Box 433 (Saudi Arabia)

    2013-12-16T23:59:59.000Z

    Two-dimensional Monte Carlo of the total pair distribution functions g(r) is determined for Se{sub 80}Te{sub 20} and Se{sub 80}Te{sub 15}Sb{sub 5} alloys, and then it used to assemble the three-dimensional atomic configurations using the reverse Monte Carlo simulation. The partial pair distribution functions g{sub ij}(r) indicate that the basic structure unit in the Se{sub 80}Te{sub 15}Sb{sub 5} glass is di-antimony tri-selenide units connected together through Se-Se and Se-Te chain. The structure of Se{sub 80}Te{sub 20} alloys is a chain of Se-Te and Se-Se in addition to some rings of Se atoms.

  16. Summary Report for the Development of Materials for Volatile Radionuclides

    SciTech Connect (OSTI)

    Strachan, Denis M.; Chun, Jaehun; Henager, Charles H.; Matyas, Josef; Riley, Brian J.; Ryan, Joseph V.; Thallapally, Praveen K.

    2010-11-22T23:59:59.000Z

    The materials development summarized here is in support of the Waste Forms campaign, Volatile Radionuclide task. Specifically, materials are being developed for the removal and immobilization of iodine and krypton, specifically 129I and 85Kr. During FY 2010, aerogel materials were investigated for removal and immobilization of 129I. Two aerogel formulations were investigated, one based on silica aerogels and the second on chalcogenides. For 85Kr, metal organic framework (MOF) structures were investigated.

  17. Fiber optic micromirror sensor for volatile organic compounds

    SciTech Connect (OSTI)

    Butler, M.A.; Ricco, A.J.; Buss, R. (Sandia National Lab., Albuquerque, NM (US))

    1990-04-01T23:59:59.000Z

    With the growing concern over environmental pollution, there is a need for sensors to locate and measure the distribution of a wide range of pollutants. In this paper the authors report a fiber optic sensor, based on a thin film micromirror, which responds to a wide range of volatile organic compounds (VOCs). This generic class of sensor will be useful for monitoring applications where the pollutant has already been identified.

  18. Lasing characteristics of ZrO{sub 2}–Y{sub 2}O{sub 3}–Ho{sub 2}O{sub 3} crystal

    SciTech Connect (OSTI)

    Borik, M A; Lomonova, E E; Kulebyakin, A V; Ushakov, S N [A M Prokhorov General Physics Institute, Russian Academy of Sciences, Moscow (Russian Federation); Lyapin, A A; Ryabochkina, P A; Chabushkin, A N [N.P. Ogarev Mordovian State University, Saransk (Russian Federation)

    2013-09-30T23:59:59.000Z

    The spectral dependences of the gain cross section of the {sup 5}I{sub 8} ? {sup 5}I{sub 7}, {sup 5}I{sub 7} ? {sup 5}I{sub 8} transition of Ho{sup 3+} ions in the ZrO{sub 2} – 13.6 mol % Y{sub 2}O{sub 3} – 0.4 mol % Ho{sub 2}O{sub 3} crystal are calculated at different relative population inversions using the absorption and luminescence spectra of the {sup 5}I{sub 8} ? {sup 5}I{sub 7} and {sup 5}I{sub 7} ? {sup 5}I{sub 8} transitions of Ho{sup 3+} ions at T=''300'' K. Lasing of these crystals at the {sup 5}I{sub 7} ? {sup 5}I{sub 8} transition is obtained for the first time under pumping by a Tm : YLiF{sub 4} laser (?{sub p} = 1.905 ?m). The lasing wavelength is 2.17 ?m. (lasers)

  19. New, improved equation solves for volatile oil, condensate reserves

    SciTech Connect (OSTI)

    Walsh, M.P. (Petroleum Recovery Research Inst., Austin, TX (United States))

    1994-08-22T23:59:59.000Z

    A new generalized material-balance equation (GMBE) can be applied to the full range of reservoir fluids, including volatile oil and gas condensate. The GMBE replaces the nearly 60-year-old conventional material-balance equation (CMBE). Material balance methods are routinely used by petroleum engineers to estimate reserves. The so-called straight-line methods are the most common. Two of the most popular are: P/z-plot for estimating gas reserves in a dry-gas reservoir; and Havlena and Odeh method for estimating original oil-in-place (N) and original gas-in-place (G) in a black-oil reservoir. A major shortcoming of these and other straight-line methods is that none apply to the full range of reservoir fluids and very few, if any, deal satisfactorily with volatile oil and rich gas condensate. Also, the limits of the methods are not well defined. As drilling goes deeper and more volatile oil and gas-condensate reservoirs are discovered, there is a growing need for a general straight-line method to estimate N and G. For the GMBE, no restrictions are placed on the initial fluid compositions.

  20. Magnetism and superconductivity in U?Pt<sub>xRh>(1–x)sub>C?

    SciTech Connect (OSTI)

    Wakeham, N. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Ni, Ni [Univ. of California, Los Angeles, CA (United States); Bauer, E. D. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Thompson, J. D. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Tegtmeier, E. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Ronning, F. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2015-01-01T23:59:59.000Z

    We report the phase diagram of the doping series U?Pt<sub>xRh>(1–x)sub>C?, studied through measurements of resistivity, specific heat, and magnetic susceptibility. The Néel temperature of U?Rh?C? of ~ 22 K is suppressed with increasing Pt content, reaching zero temperature close to x = 0.7, where we observed signatures of increased quantum fluctuations. In addition, evidence is presented that the antiferromagnetic state undergoes a spin-reorientation transition upon application of an applied magnetic field. This transition shows non-monotonic behavior as a function of x, peaking at around x = 0.3. Superconductivity is observed for x ? 0.9, with T<sub>c> increasing with increasing x. The reduction in T<sub>c> and increase in residual resistivity with decreasing Pt content is inconsistent with the extension of the Abrikosov-Gor'kov theory to unconventional superconductivity.

  1. Isotope Effect on Adsorbed Quantum Phases: Diffusion of H<sub>2sub> and D<sub>2sub> in Nanoporous Carbon

    SciTech Connect (OSTI)

    Contescu, Cristian I.; Zhang, Hongxin; Olsen, Raina J.; Mamontov, Eugene; Morris, James R.; Gallego, Nidia C.

    2013-06-01T23:59:59.000Z

    Quasielastic neutron scattering of H<sub>2sub> and D<sub>2sub> in the same nanoporous carbon at 10–40 K demonstrates extreme quantum sieving, with D<sub>2sub> diffusing up to 76 times faster. D<sub>2sub> also shows liquidlike diffusion while H<sub>2sub> exhibits Chudley-Elliott jump diffusion, evidence of their different relationships with the local lattice of adsorption sites due to quantum effects on intermolecular interactions. The onset of diffusion occurs at 22–25 K for H<sub>2sub> and 10–13 K for D<sub>2sub>. At these temperatures, H<sub>2sub> and D<sub>2sub> have identical thermal de Broglie wavelengths that correlate with the dominant pore size.

  2. Criticality Safety Study of UF<sub>6sub>and UO<sub>2sub>F>2sub>in 8-in. Inner Diameter Piping

    SciTech Connect (OSTI)

    Elam, K.R.

    2003-10-07T23:59:59.000Z

    The purpose of this report is to provide an evaluation of the criticality safety aspects of using up to 8-in.-inner-diameter (ID) piping as part of a system to monitor the {sup 235}U enrichment in uranium hexafluoride (UF{sub 6}) gas both before and after an enrichment down-blending operation. The evaluated operation does not include the blending stage but includes only the monitors and the piping directly associated with the monitors, which are in a separate room from the blending operation. There are active controls in place to limit the enrichment of the blended UF{sub 6} to a maximum of 5 weight percent (wt%) {sup 235}U. Under normal operating conditions of temperature and pressure, the UF{sub 6} will stay in the gas phase and criticality will not be credible. The two accidents of concern are solidification of the UF{sub 6} along with some hydrofluoric acid (HF) and water or moisture ingress, which would cause the UF{sub 6} gas to react and form a hydrated uranyl fluoride (UO{sub 2}F{sub 2}) solid or solution. Of these two types of accidents, the addition of water and formation of UO{sub 2}F{sub 2} is the most reactive scenario and thus limits related to UO{sub 2}F{sub 2} will bound the limits related to UF{sub 6}. Two types of systems are included in the monitoring process. The first measures the enrichment of the approximately 90 wt% enriched UF{sub 6} before it is blended. This system uses a maximum 4-in.-(10.16-cm-) ID pipe, which is smaller than the 13.7-cm-cylinder-diameter subcritical limit for UO{sub 2}F{sub 2} solution of any enrichment as given in Table 1 of American National Standard ANSI/ANS-8.1.1 Therefore, this system poses no criticality concerns for either accident scenario. The second type of system includes two enrichment monitors for lower-enriched UF{sub 6}. One monitors the approximately 1.5 wt% enriched UF{sub 6} entering the blending process, and the second monitors the approximately 5 wt% enriched UF{sub 6} coming out of the blending process. Both use a maximum 8-in.-(20.32-cm-) ID piping, where the length of the larger ID piping is approximately 9.5 m. This diameter of piping is below the 26.6-cm-cylinder-diameter subcritical limit for 5 wt% enriched UO{sub 2}F{sub 2} solutions as given in Table 6 of ANSI/ANS-8.1. Therefore, for up to 5 wt% enriched UF{sub 6}, this piping does not present a criticality concern for either accident scenario. Calculations were performed to determine the enrichment level at which criticality could become a concern in these 8-in.-ID piping sections. Both unreflected and fully water-reflected conditions were considered.

  3. Development and Characterization of a Thermodenuder for Aerosol Volatility Measurements

    SciTech Connect (OSTI)

    Dr. Timothy Onasch

    2009-09-09T23:59:59.000Z

    This SBIR Phase I project addressed the critical need for improved characterization of carbonaceous aerosol species in the atmosphere. The proposed work focused on the development of a thermodenuder (TD) system capable of systematically measuring volatility profiles of primary and secondary organic aerosol species and providing insight into the effects of absorbing and nonabsorbing organic coatings on particle absorption properties. This work provided the fundamental framework for the generation of essential information needed for improved predictions of ambient aerosol loadings and radiative properties by atmospheric chemistry models. As part of this work, Aerodyne Research, Inc. (ARI) continued to develop and test, with the final objective of commercialization, an improved thermodenuder system that can be used in series with any aerosol instrument or suite of instruments (e.g., aerosol mass spectrometers-AMS, scanning mobility particle sizers-SMPS, photoacoustic absorption spectrometers-PAS, etc.) to obtain aerosol chemical, physical, and optical properties as a function of particle volatility. In particular, we provided the proof of concept for the direct coupling of our improved TD design with a full microphysical model to obtain volatility profiles for different organic aerosol components and to allow for meaningful comparisons between different TD-derived aerosol measurements. In a TD, particles are passed through a heated zone and a denuding (activated charcoal) zone to remove semi-volatile material. Changes in particle size, number concentration, optical absorption, and chemical composition are subsequently detected with aerosol instrumentation. The aerosol volatility profiles provided by the TD will strengthen organic aerosol emission inventories, provide further insight into secondary aerosol formation mechanisms, and provide an important measure of particle absorption (including brown carbon contributions and identification, and absorption enhancements due to coatings on soot particles). The successfully completed Phase I project included construction of a prototype design for the TD with detailed physical modeling, testing with laboratory and ambient aerosol particles, and the initiation of a detailed microphysical model of the aerosol particles passing through the TD to extract vapor pressure distributions. The objective of the microphysical model is to derive vapor pressure distributions (i.e. vapor pressure ranges, including single chemical compounds, mixtures of known compounds, and complex ‘real-world’ aerosols, such as SOA, and soot particles with absorbing and nonabsorbing coatings) from TD measurements of changes in particle size, mass, and chemical composition for known TD temperatures and flow rates (i.e. residence times). The proposed Phase II project was designed to optimize several TD systems for different instrument applications and to combine the hardware and modeling into a robust package for commercial sales.

  4. Strong Enhancement of Flux Pinning in YBa<sub>2sub>Cu>3sub>O>7-?sub> Multilayers with Columnar Defects Comprised of Self-Assembled BaZrO<sub>3sub>

    SciTech Connect (OSTI)

    Kang, Sukill [ORNL; Leonard, Keith J [ORNL; Martin, Patrick M [ORNL; Li, Jing [ORNL; Goyal, Amit [ORNL

    2007-01-01T23:59:59.000Z

    Multilayer structures comprising YBa{sub 2}Cu{sub 3}O{sub 7-{delta}} (YBCO) films with columns of self-assembled BaZrO{sub 3} (BZO) nanodots with interlayers of CeO{sub 2} or pure YBa{sub 2}Cu{sub 3}O{sub 7-{delta}} were grown on rolling-assisted biaxially textured substrates (RABiTSs) using pulsed laser deposition. A significant enhancement of the critical current density (J{sub c}) was observed for the multilayers compared with a single layer of YBCO + BZO. J{sub c} varies as J{sub c}{approx}H{sup -{alpha}} with a of 0.27 for single layer of YBCO + BZO and 0.34 for both multilayered films. Enhancement of pinning in the multilayers is attributed to the presence of columnar defects comprised of self-assembled nanodots of BZO as well as planar CuO-type stacking defects arising as a result of interfacial reactions in the multilayers.

  5. Study on the Volatility of Cesium in Dry Ashing Pretreatment and Dissolution of Ash by Microwave Digestion System - 13331

    SciTech Connect (OSTI)

    Choi, Kwang-Soon; Lee, Chang Heon; Ahn, Hong-Joo; Park, Yong Joon; Song, Kyuseok [Nuclear Chemistry Research Division, Korea Atomic Energy Research Institute, Daedeok-daero 989-111, Yuseong-gu, Daejeon, 305-353 (Korea, Republic of)] [Nuclear Chemistry Research Division, Korea Atomic Energy Research Institute, Daedeok-daero 989-111, Yuseong-gu, Daejeon, 305-353 (Korea, Republic of)

    2013-07-01T23:59:59.000Z

    Based on the regulation of the activity concentration of Cs-137, Co-58, Co-60, Fe-55, Ni-59, Ni-63, Sr-90, Nb-94, and Tc-99, and the total alpha from the radioactive waste acceptance criteria, the measurement of the activity concentration of these nuclides in low and intermediate levels of radioactive waste such as in paper, cotton, vinyl and plastic samples was investigated. A dry ashing method was applied to obtain a concentration effect of the samples. Owing to the temperature dependence of the volatility for cesium, the temperature of 300 to 650 deg. C was examined. It was found that 450 deg. C is the optimum dry ashing temperature. After dry ashing, the produced ash was dissolved with HNO{sub 3}, HCl, and HF by a high-performance microwave digestion system. The ash sample, for the most part, was completely dissolved with 10 mL of HNO{sub 3}, 4 mL of HCl, and 0.25 mL of HF by a high-performance microwave digestion system using a nova high temperature rotor at 250 deg. C for 90 min until reaching 0.2 g. To confirm the reliability of cesium loss after the performance of the dry ashing procedure, a cesium standard solution for AAS and a Cs-137 standard solution for gamma spectrometry were added to a paper towel or a planchet of stainless steel, respectively. Cesium was measured by AAS, ICP-MS, and gamma spectrometry. The volatility of cesium did not occur until 450 deg. C ashing. (authors)

  6. Itinerant electrons, local moments, and magnetic correlations in the pnictide superconductors CeFeAsO??<sub>xFx>and Sr(Fe??<sub>xCox>)?As?

    SciTech Connect (OSTI)

    Vilmercati, Paolo; Fedorov, Alexei; Bondino, Federica; Offi, Francesco; Panaccione, Giancarlo; Lacovig, Paolo; Simonelli, Laura; McGuire, Michael A.; Sefat, Athena S. M.; Mandrus, David; Sales, Brian C.; Egami, Takeshi; Ku, Wei; Mannella, Norman

    2012-06-01T23:59:59.000Z

    A direct and element-specific measurement of the local Fe spin moment has been provided by analyzing the Fe 3s core level photoemission spectra in the parent and optimally doped CeFeAsO??<sub>xFx> (x = 0, 0.11) and Sr(Fe??<sub>xCox>)2As2 (x = 0, 0.10) pnictides. The rapid time scales of the photoemission process allowed the detection of large local spin moments fluctuating on a 10?ą? s time scale in the paramagnetic, antiferromagnetic, and superconducting phases, indicative of the occurrence of ubiquitous strong Hund's magnetic correlations. The magnitude of the spin moment is found to vary significantly among different families, 1.3?<sub>B> in CeFeAsO and 2.1?B in SrFe?As?. Surprisingly, the spin moment is found to decrease considerably in the optimally doped samples, 0.9?<sub>B> in CeFeAsO?.??F?.?? and 1.3?<sub>B> in Sr(Fe?.?Co?.?)?As?. The strong variation of the spin moment against doping and material type indicates that the spin moments and the motion of itinerant electrons are influenced reciprocally in a self-consistent fashion, reflecting the strong competition between the antiferromagnetic superexchange interaction among the spin moments and the kinetic energy gain of the itinerant electrons in the presence of a strong Hund's coupling. By describing the evolution of the magnetic correlations concomitant with the appearance of superconductivity, these results constitute a fundamental step toward attaining a correct description of the microscopic mechanisms shaping the electronic properties in the pnictides, including magnetism and high-temperature superconductivity.

  7. Volatility and entrainment of feed components and product glass characteristics during pilot-scale vitrification of simulated Hanford site low-level waste

    SciTech Connect (OSTI)

    Shade, J.W.

    1996-05-03T23:59:59.000Z

    Commercially available melter technologies were tested for application to vitrification of Hanford site low-level waste (LLW). Testing was conducted at vendor facilities using a non-radioactive LLW simulant. Technologies tested included four Joule-heated melter types, a carbon electrode melter, a cyclone combustion melter, and a plasma torch-fired melter. A variety of samples were collected during the vendor tests and analyzed to provide data to support evaluation of the technologies. This paper describes the evaluation of melter feed component volatility and entrainment losses and product glass samples produced during the vendor tests. All vendors produced glasses that met minimum leach criteria established for the test glass formulations, although in many cases the waste oxide loading was less than intended. Entrainment was much lower in Joule-heated systems than in the combustion or plasma torch-fired systems. Volatility of alkali metals, halogens, B, Mo, and P were severe for non-Joule-heated systems. While losses of sulfur were significant for all systems, the volatility of other components was greatly reduced for some configurations of Joule-heated melters. Data on approaches to reduce NO{sub x} generation, resulting from high nitrate and nitrite content in the double-shell slurry feed, are also presented.

  8. REMOVAL OF H{sub 2}S AND SO{sub 2} BY CaCO{sub 3}-BASED SORBENTS AT HIGH PRESSURES

    SciTech Connect (OSTI)

    Prof. Stratis V. Sotirchos

    1998-08-01T23:59:59.000Z

    During the six months of this reporting period, we did more experiments on the study of the behavior of the sulfidation of precalcined limestones in the presence of small amounts of oxygen. Sulfidation experiments in the presence of oxygen were carried out because in past experiments we had observed that leaks of oxygen into the feed mixture led to completely different results from those obtained in the absence of oxygen. The new experiments reaffirmed the observations that we had made in our previous studies. The behavior of the sulfidation of limestone was found to depend strongly, in both a qualitative and a quantitative sense, on the level of the oxygen concentration in the feed. For small concentration of oxygen, the weight gained by the calcined sample during sulfidation in a N{sub 2}-H{sub 2}S atmosphere presented a maximum, whereas for concentrations above 0.5-0.8%, it increased continuously, reaching in some cases values that corresponded to complete conversion of CaO to CaSO{sub 4}. The maximum in the variation of the weight gain with time tended to become more pronounced as the intraparticle diffusional limitations were decreased. The use of different sample sizes showed that the interparticle diffusional limitations had a similar effect, and this led us to the conclusion that the main cause for the presence of a maximum in the variation of the weight of the sample during sulfidation in the presence of oxygen is the formation of a volatile product (possibly Ca) in the CaS-CaSO{sub 4} solid-solid reaction.

  9. Centrosymmetric [N(CH{sub 3}){sub 4}]{sub 2}TiF{sub 6} vs. noncentrosymmetric polar [C(NH{sub 2}){sub 3}]{sub 2}TiF{sub 6}: A hydrogen-bonding effect on the out-of-center distortion of TiF{sub 6} octahedra

    SciTech Connect (OSTI)

    Kim, Eun-ah [Department of Chemistry Education, Chung-Ang University, Seoul 156-756 (Korea, Republic of)] [Department of Chemistry Education, Chung-Ang University, Seoul 156-756 (Korea, Republic of); Lee, Dong Woo [Department of Chemistry, Chung-Ang University, Seoul 156-756 (Korea, Republic of)] [Department of Chemistry, Chung-Ang University, Seoul 156-756 (Korea, Republic of); Ok, Kang Min, E-mail: kmok@cau.ac.kr [Department of Chemistry, Chung-Ang University, Seoul 156-756 (Korea, Republic of)

    2012-11-15T23:59:59.000Z

    The syntheses, structures, and characterization of organically templated zero-dimensional titanium fluoride materials, A{sub 2}TiF{sub 6} (A=[N(CH{sub 3}){sub 4}] or [C(NH{sub 2}){sub 3}]), are reported. Phase pure samples of A{sub 2}TiF{sub 6} were synthesized by either solvothermal reaction method or a simple mixing method. While [N(CH{sub 3}){sub 4}]{sub 2}TiF{sub 6} crystallizes in a centrosymmetric space group, R-3, [C(NH{sub 2}){sub 3}]{sub 2}TiF{sub 6} crystallizes in a noncentrosymmetric polar space group, Cm. The asymmetric out-of-center distortion of TiF{sub 6} octahedra in polar [C(NH{sub 2}){sub 3}]{sub 2}TiF{sub 6} are attributable to the hydrogen-bonding interactions between the fluorine atoms in TiF{sub 6} octahedra and the nitrogen atoms in the [C(NH{sub 2}){sub 3}]{sup +} cation. Powder second-harmonic generation (SHG) measurements on the [C(NH{sub 2}){sub 3}]{sub 2}TiF{sub 6}, using 1064 nm radiation, indicate the material has SHG efficiency of 25 Multiplication-Sign that of {alpha}-SiO{sub 2}, which indicates an average nonlinear optical susceptibility, Left-Pointing-Angle-Bracket d{sub eff} Right-Pointing-Angle-Bracket {sub exp} of 2.8 pm/V. Additional SHG measurements reveal that the material is not phase-matchable (Type 1). The magnitudes of out-of-center distortions and dipole moment calculations for TiF{sub 6} octahedra will be also reported. - Graphical abstract: The out-of-center distortion of TiF{sub 6} octahedron in the polar noncentrosymmetric [C(NH{sub 2}){sub 3}]{sub 2}TiF{sub 6} is attributable to the hydrogen-bonding interactions between the F in TiF{sub 6} octahedron and the H-N in the [C(NH{sub 2}){sub 3}]{sup +}. Highlights: Black-Right-Pointing-Pointer Two titanium fluorides materials have been synthesized in high yields. Black-Right-Pointing-Pointer Hydrogen-bonds are crucial for the out-of-center distortion of TiF{sub 6} octahedra. Black-Right-Pointing-Pointer [C(NH{sub 2}){sub 3}]{sub 2}TiF{sub 6} has a SHG efficiency of 25 Multiplication-Sign that of {alpha}-SiO{sub 2}.

  10. A Rh<sub>xSy>/C Catalyst for the Hydrogen Oxidation and Hydrogen Evolution Reactions in HBr

    SciTech Connect (OSTI)

    Masud, Jahangir [Univ. of Kansas, Lawrence, KS (United States); Nguyena, Trung V. [Univ. of Kansas, Lawrence, KS (United States); Singh, Nirala [Univ. of California, Santa Barbara, CA (United States); McFarland, Eric [Univ. of California, Santa Barbara, CA (United States); Ikenberry, Myles [Kansas State Univ., Manhattan, KS (United States); Hohn, Keith [Kansas State Univ., Manhattan, KS (United States); Pan, Chun-Jern [National Taiwan University of Science & Technology, Tapei (Taiwan); Hwang, Bing-Joe [National Taiwan University of Science & Technology, Tapei (Taiwan)

    2015-01-01T23:59:59.000Z

    Rhodium sulfide (Rh<sub>2sub>S>3sub>) on carbon support was synthesized by refluxing rhodium chloride with ammonium thiosulfate. Thermal treatment of Rh<sub>2sub>S>3sub> at high temperatures (600°C to 850°C) in presence of argon resulted in the transformation of Rh<sub>2sub>S>3sub> into Rh<sub>3sub>S>4sub>, Rh<sub>17sub>S>15sub> and Rh which were characterized by TGA/DTA, XRD, EDX, and deconvolved XPS analyses. The catalyst particle size distribution ranged from 3 to 12 nm. Cyclic voltammetry and rotating disk electrode measurements were used to evaluate the catalytic activity for hydrogen oxidation and evolution reactions in H<sub>2sub>SO>4sub> and HBr solutions. The thermally treated catalysts show high activity for the hydrogen reactions. The exchange current densities (i<sub>o>) of the synthesized Rh<sub>xSy> catalysts in H<sub>2sub>-saturated 1M H<sub>2sub>SO>4sub> and 1M HBr for HER and HOR were 0.9 mA/cm2 to 1.0 mA/cm2 and 0.8 to 0.9 mA/cm2, respectively. The lower i<sub>o> values obtained in 1M HBr solution compared to in H<sub>2sub>SO>4sub> might be due to the adsorption of Br- on the active surface. Stable electrochemical active surface area (ECSA) of Rh<sub>xSy> catalyst was obtained for CV scan limits between 0 V and 0.65 V vs. RHE. Scans with upper voltage limit beyond 0.65 V led to decreased and unreproducible ECSA measurements.

  11. Conversion of closo-2,4-C/sub 2/B/sub 5/H/sub 7/ to (nido-2,4-C/sub 2/B/sub 4/H/sub 7/)/sup /minus//

    SciTech Connect (OSTI)

    Abdou, Z.J.; Gomez, F.; Abdou, G.; Onak, T.

    1988-10-05T23:59:59.000Z

    A method for the conversion of closo-2-,4-C/sub 2/B/sub 5/H/sub 7/ to (nido-2,4-CB/sub 4/H/sub 7/)/sup /minus// by the use of Li(N(R)/sub 2/), R = CH/sub 3/, C/sub 2/H/sub 5/, CH(CH/sub 3/)/sub 2/, as the reagent and acetonitrile as the solvent. The stoichiometry for the reaction appears to be somewhat greater than 1:1 Li(N(R)/sub 2/):C/sub 2/B/sub 5/H/sub 7/. The reaction was found to be nearly quantitative at room temperature. The /sup 11/B NMR spectrum shows that there are at least two intermediates in the reaction. 14 references, 2 figures.

  12. Metal alkoxides. Models for metal oxides. 15. Carbon-carbon and carbon-hydrogen bond activation in the reactions between ethylene and ditungsten hexaalkoxides: W sub 2 (OCH sub 2 -t-Bu) sub 6 (. eta. sup 2 -C sub 2 H sub 4 ) sub 2 , W sub 2 (OR) sub 6 (CH sub 2 ) sub 4 (. eta. sup 2 -C sub 2 H sub 4 ), and W sub 2 (OR) sub 6 (. mu. -CCH sub 2 CH sub 2 CH sub 2 ) (where r = CH sub 2 -t-Bu, i-Pr, c-C sub 5 h sub 9 , and c-C sub 6 H sub 11 ). Preparations, properties, structures, and reaction mechanisms

    SciTech Connect (OSTI)

    Chisholm, M.H.; Huffman, J.C.; Hampden-Smith, M.J. (Indiana Univ., Bloomington (USA))

    1989-07-05T23:59:59.000Z

    W{sub 2}(OR){sub 6} (M {triple bond}M) compounds and ethylene (1 atm, 22{degree}C) react in alkane and aromatic hydrocarbon solvents to give W{sub 2}(OR){sub 6}({mu}-CCH{sub 2}CH{sub 2}CH{sub 2}) compounds and ethane, where R = i-Pr, c-C{sub 5}H{sub 9}, c-C{sub 6}H{sub 11}, and CH{sub 2}-t-Bu. Under comparable conditions, W{sub 2}(O-t-Bu){sub 6} and ethylene fail to react. In the formation of W{sub 2}(OR){sub 6}({mu}-CCH{sub 2}CH{sub 2}CH{sub 2}) compounds, the intermediates W{sub 2}(OCH{sub 2}-t-Bu){sub 6}({eta}{sup 2}-C{sub 2}H{sub 4}){sub 2} and W{sub 2}(OR){sub 6}(CH{sub 2}){sub 4}({eta}{sup 2}-C{sub 2}H{sub 4}), where R = C-C{sub 5}H{sub 9}, i-Pr, and CH{sub 2}-t-Bu, have been characterized. For R = i-Pr and CH{sub 2}-t-Bu, the intermediates are shown to be formed reversibly from W{sub 2}(OR){sub 6} and ethylene. The compound W{sub 2}(O-i-Pr){sub 6}(CH{sub 2}){sub 4}({eta}{sup 2}-C{sub 2}H{sub 4}) has been fully characterized by an X-ray study and found to contain a metallacyclopentane ring and a W-{eta}{sup 2}-C{sub 2}H{sub 4} moiety, one at each metal center. The pyridine adduct W{sub 2}(O-i-Pr){sub 6}({mu}-CCH{sub 2}CH{sub 2}ch{sub 2})(py) has been fully characterized and shown to contain a novel 1,6-dimetallabicyclo(3.1.0)hex-1(5)-ene organometallic core. All compounds have been characterized by {sup 13}C and {sup 1}H NMR studies. Various aspects of the reaction pathway have been probed by the use of isotopically labeled ethylenes, and a proposed general scheme is compared to previous studies of ethylene activation at mononuclear metal centers and carbonyl dinuclear and cluster compounds.

  13. Syntheses, structures, and properties of Ag{sub 4}(Mo{sub 2}O{sub 5})(SeO{sub 4}){sub 2}(SeO{sub 3}) and Ag{sub 2}(MoO{sub 3}){sub 3}SeO{sub 3}

    SciTech Connect (OSTI)

    Ling Jie [Department of Chemistry and Biochemistry, 179 Chemistry Building, Auburn University, Auburn, AL 36849 (United States); Albrecht-Schmitt, Thomas E. [Department of Chemistry and Biochemistry, 179 Chemistry Building, Auburn University, Auburn, AL 36849 (United States)], E-mail: albreth@auburn.edu

    2007-05-15T23:59:59.000Z

    Ag{sub 4}(Mo{sub 2}O{sub 5})(SeO{sub 4}){sub 2}(SeO{sub 3}) has been synthesized by reacting AgNO{sub 3}, MoO{sub 3}, and selenic acid under mild hydrothermal conditions. The structure of this compound consists of cis-MoO{sub 2} {sup 2+} molybdenyl units that are bridged to neighboring molybdenyl moieties by selenate anions and by a bridging oxo anion. These dimeric units are joined by selenite anions to yield zigzag one-dimensional chains that extended down the c-axis. Individual chains are polar with the C {sub 2} distortion of the Mo(VI) octahedra aligning on one side of each chain. However, the overall structure is centrosymmetric because neighboring chains have opposite alignment of the C {sub 2} distortion. Upon heating Ag{sub 4}(Mo{sub 2}O{sub 5})(SeO{sub 4}){sub 2}(SeO{sub 3}) looses SeO{sub 2} in two distinct steps to yield Ag{sub 2}MoO{sub 4}. Crystallographic data: (193 K; MoK{alpha}, {lambda}=0.71073 A): orthorhombic, space group Pbcm, a=5.6557(3), b=15.8904(7), c=15.7938(7) A, V=1419.41(12), Z=4, R(F)=2.72% for 121 parameters with 1829 reflections with I>2{sigma}(I). Ag{sub 2}(MoO{sub 3}){sub 3}SeO{sub 3} was synthesized by reacting AgNO{sub 3} with MoO{sub 3}, SeO{sub 2}, and HF under hydrothermal conditions. The structure of Ag{sub 2}(MoO{sub 3}){sub 3}SeO{sub 3} consists of three crystallographically unique Mo(VI) centers that are in 2+2+2 coordination environments with two long, two intermediate, and two short bonds. These MoO{sub 6} units are connected to form a molybdenyl ribbon that extends along the c-axis. These ribbons are further connected together through tridentate selenite anions to form two-dimensional layers in the [bc] plane. Crystallographic data: (193 K; MoK{alpha}, {lambda}=0.71073 A): monoclinic, space group P2{sub 1} /n, a=7.7034(5), b=11.1485(8), c=12.7500(9) A, {beta}=105.018(1) V=1002.7(2), Z=4, R(F)=3.45% for 164 parameters with 2454 reflections with I>2{sigma}(I). Ag{sub 2}(MoO{sub 3}){sub 3}SeO{sub 3} decomposes to Ag{sub 2}Mo{sub 3}O{sub 10} on heating above 550 deg. C. - Graphical abstract: A view of the one-dimensional [(Mo{sub 2}O{sub 5})(SeO{sub 4}){sub 2}(SeO{sub 3})]{sup 4-} chains that extend down the c-axis in the structure of Ag{sub 4}(Mo{sub 2}O{sub 5})(SeO{sub 4}){sub 2}(SeO{sub 3})

  14. Effect of nanosized Co{sub 0.5}Ni{sub 0.5}Fe{sub 2}O{sub 4} on the transport critical current density of Bi{sub 1.6}Pb{sub 0.4}Sr{sub 2}Ca{sub 2}Cu{sub 3}O{sub 10} superconductor

    SciTech Connect (OSTI)

    Hafiz, M.; Abd-Shukor, R. [School of Applied Physics, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor (Malaysia)

    2014-09-03T23:59:59.000Z

    The effects of nano-sized Co{sub 0.5}Ni{sub 0.5}Fe{sub 2}O{sub 4} addition on the superconducting and transport properties of Bi{sub 1.6}Pb{sub 0.4}Sr{sub 2}Ca{sub 2}Cu{sub 3}O{sub 10} (Bi-2223) in bulk form has been investigated. Bi-2223 superconductor was fabricated using co-precipitation method and 0.01 – 0.05 wt% of Co{sub 0.5}Ni{sub 0.5}Fe{sub 2}O{sub 4} nanoparticles with average size of 20 nm were added into the samples. The critical temperature (T{sub c}) and critical current density (J{sub c}) of the samples were measured by using the four-point probe method, while the phase formation and microstructure of the samples were examined using x-ray diffraction and SEM respectively. It was found that J{sub c} of all samples added with Co{sub 0.5}Ni{sub 0.5}Fe{sub 2}O{sub 4} were higher than non-added sample, with x = 0.01 wt. % sample showing the highest J{sub c}. This study showed that small addition of nano-Co{sub 0.5}Ni{sub 0.5}Fe{sub 2}O{sub 4} can effectively enhance the transport critical current density in Bi-2223 superconductor.

  15. Substrate step-edge YBa sub 2 Cu sub 3 O sub 7 rf SQUIDs

    SciTech Connect (OSTI)

    Daly, K.P.; Dozier, W.D.; Burch, J.F.; Coons, S.B.; Hu, R.; Platt, C.E.; Simon, R.W. (TRW Space Technology Group, One Space Park, Redondo Beach, California 90278 (US))

    1991-02-04T23:59:59.000Z

    We have developed a technique which permits high-yield fabrication of microbridges and low noise YBa{sub 2}Cu{sub 3}O{sub 7} superconducting quantum interference devices (SQUIDs) in epitaxial thin films. These SQUIDs operate over a wide temperature range extending from 4 K to close to the superconducting transition temperature. Measurements of an rf SQUID operating at 77 K give a peak-to-peak flux sensitivity of 36 {mu}V/{Phi}{sub 0} and a flux noise at 10 Hz of 1.5{times} 10{sup {minus}4} {Phi}{sub 0}/{radical}Hz. Device yields over 80% have been obtained.

  16. Syntheses, crystal structures and optical properties of the first strontium selenium(IV) and tellurium(IV) oxychlorides: Sr{sub 3}(SeO{sub 3})(Se{sub 2}O{sub 5})Cl{sub 2} and Sr{sub 4}(Te{sub 3}O{sub 8})Cl{sub 4}

    SciTech Connect (OSTI)

    Jiang Hailong [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002 (China); Graduate School of the Chinese Academy of Sciences, Beijing 100039 (China); Mao Jianggao [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002 (China)], E-mail: mjg@fjirsm.ac.cn

    2008-02-15T23:59:59.000Z

    Two new quaternary strontium selenium(IV) and tellurium(IV) oxychlorides, namely, Sr{sub 3}(SeO{sub 3})(Se{sub 2}O{sub 5})Cl{sub 2} and Sr{sub 4}(Te{sub 3}O{sub 8})Cl{sub 4}, have been prepared by solid-state reaction. Sr{sub 3}(SeO{sub 3})(Se{sub 2}O{sub 5})Cl{sub 2} features a three-dimensional (3D) network structure constructed from strontium(II) interconnected by Cl{sup -}, SeO{sub 3}{sup 2-} as well as Se{sub 2}O{sub 5}{sup 2-} anions. The structure of Sr{sub 4}(Te{sub 3}O{sub 8})Cl{sub 4} features a 3D network in which the strontium tellurium oxide slabs are interconnected by bridging Cl{sup -} anions. The diffuse reflectance spectrum measurements and results of the electronic band structure calculations indicate that both compounds are wide band-gap semiconductors. - Graphical abstract: Solid-state reactions of SrO, SrCl{sub 2}, and SeO{sub 2} or TeO{sub 2} in different molar ratios and under different temperatures lead to two new strontium selenium(IV) or tellurium(IV) oxychlorides with two different types of structures, namely, Sr{sub 3}(SeO{sub 3})(Se{sub 2}O{sub 5})Cl{sub 2} and Sr{sub 4}(Te{sub 3}O{sub 8})Cl{sub 4}. Both compounds are wide band-gap semiconductors based on the diffuse reflectance spectra and the electronic band structures.

  17. Vehicular emission of volatile organic compounds (VOCs) from a tunnel study in Hong Kong

    E-Print Network [OSTI]

    2009-01-01T23:59:59.000Z

    Chemistry and Physics Vehicular emission of volatile organicY. , and Huang, Y. S. : Emission factors and characteristicslight-duty vehicle emissions, Environ. Sci. Technol. , 30,

  18. Improvement of SOFC Electrodes through Catalyst Infiltration & Control of Cr Volatilization from FeCr Components

    SciTech Connect (OSTI)

    Visco, S.J.; Jacobson, C.; Kurokawa, H.; Sholklapper, T.; Lu, C.; De Jonghe, L.

    2005-01-28T23:59:59.000Z

    This presentation discusses the improvement of SOFC electrodes through catalyst infiltration and control of Cr volatilization from FeCr components.

  19. Field measurements of ammonia volatilization from surface applications of nitrogen fertilizers to a calcareous soil

    E-Print Network [OSTI]

    Hargrove, W. L

    1977-01-01T23:59:59.000Z

    to measure volatilized NH3 in the labora- tory. A) Vacuum pump, B) Boric acid trap to collect volatilized NH ~ C) NH3 volatilization chamber, D) Trkp to re- move NH3 from incoming air . . . . . . . . . . . 21 A schematic of the apparatus used to make... direct measurements of NH losses in the field. A) Vacuum pum), B) Boric acid trap, C) NH volatilization chamber, consisting of metal cylinder and plexi- glass top The cumulative NH losses over time for four rates of' a)plication of urea...

  20. Bi{sub 6}(SeO{sub 3}){sub 3}O{sub 5}Br{sub 2}: A new bismuth oxo-selenite bromide

    SciTech Connect (OSTI)

    Berdonosov, Peter S., E-mail: berdonosov@inorg.chem.msu.ru [Department of Chemistry, Lomonosov Moscow State University, 119991 Moscow (Russian Federation); Olenev, Andrei V. [SineTheta Ltd., MSU Building 1-77, 119991 Moscow (Russian Federation)] [SineTheta Ltd., MSU Building 1-77, 119991 Moscow (Russian Federation); Kirsanova, Maria A. [Department of Chemistry, Lomonosov Moscow State University, 119991 Moscow (Russian Federation)] [Department of Chemistry, Lomonosov Moscow State University, 119991 Moscow (Russian Federation); Lebed, Julia B. [Institute for nuclear research RAS, 142190, Troitsk, Moscow region (Russian Federation)] [Institute for nuclear research RAS, 142190, Troitsk, Moscow region (Russian Federation); Dolgikh, Valery A. [Department of Chemistry, Lomonosov Moscow State University, 119991 Moscow (Russian Federation)] [Department of Chemistry, Lomonosov Moscow State University, 119991 Moscow (Russian Federation)

    2012-12-15T23:59:59.000Z

    A new bismuth oxo-selenite bromide Bi{sub 6}(SeO{sub 3}){sub 3}O{sub 5}Br{sub 2} was synthesized and structurally characterized. The crystal structure belongs to the triclinic system (space group P1-bar , Z=2, a=7.1253(7) A, b=10.972(1) A, c=12.117(1) A, {alpha}=67.765(7) Degree-Sign , {beta}=82.188(8) Degree-Sign , {gamma}=78.445(7) Degree-Sign ) and is unrelated to those of other known oxo-selenite halides. It can be considered as an open framework composed of BiO{sub x} or BiO{sub y}Br{sub z} polyhedrons forming channels running along [1 0 0] direction which contain the selenium atoms in pyramidal shape oxygen coordination (SeO{sub 3}E). The spectroscopic properties and thermal stability were studied. The new compound is stable up to 400 Degree-Sign C. - graphical abstract: New bismuth oxo-selenite bromide with new open framework structure. Highlights: Black-Right-Pointing-Pointer New bismuth oxo-selenite bromide was found and structurally characterized. Black-Right-Pointing-Pointer Bi{sub 6}(SeO{sub 3}){sub 3}O{sub 5}Br{sub 2} exhibit a new open framework structure type. Black-Right-Pointing-Pointer BiO{sub x} or BiO{sub y}Br{sub z} polyhedrons form channels in the structure which are decorated by [SeO{sub 3}E] groups.

  1. Syntheses, crystal structures and characterizations of BaZn(SeO{sub 3}){sub 2} and BaZn(TeO{sub 3})Cl{sub 2}

    SciTech Connect (OSTI)

    Jiang Hailong [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, and the Graduate School of the Chinese Academy of Sciences, Fuzhou 350002 (China); Feng Meiling [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, and the Graduate School of the Chinese Academy of Sciences, Fuzhou 350002 (China); Mao Jianggao [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, and the Graduate School of the Chinese Academy of Sciences, Fuzhou 350002 (China)]. E-mail: mjg@ms.fjirsm.ac.cn

    2006-06-15T23:59:59.000Z

    Two new barium zinc selenite and tellurite, namely, BaZn(SeO{sub 3}){sub 2} and BaZn(TeO{sub 3})Cl{sub 2}, have been synthesized by the solid state reaction. The structure of BaZn(SeO{sub 3}){sub 2} features double chains of [Zn(SeO{sub 3}){sub 2}]{sup 2-} anions composed of four- and eight-member rings which are alternatively along a-axis. The double chains of [Zn{sub 2}(TeO{sub 3}){sub 2}Cl{sub 3}]{sup 3-} anions in BaZn(TeO{sub 3})Cl{sub 2} are formed by Zn{sub 3}Te{sub 3} rings in which each tellurite group connects with three ZnO{sub 3}Cl tetrahedra. BaZn(SeO{sub 3}){sub 2} and BaZn(TeO{sub 3})Cl{sub 2} are wide bandgap semiconductors based on optical diffuse reflectance spectrum measurements. -- Graphical abstract: Two new barium zinc selenite and tellurite, namely, BaZn(SeO{sub 3}){sub 2} and BaZn(TeO{sub 3})Cl{sub 2}, have been synthesized by solid state reaction. The structure of BaZn(SeO{sub 3}){sub 2} features 1D double chains of [Zn(SeO{sub 3}){sub 2}]{sup 2-} anions composed of four- and eight-member rings which are alternatively along a-axis. The 1D double chains of [Zn{sub 2}(TeO{sub 3}){sub 2}Cl{sub 3}]{sup 3-} anions in BaZn(TeO{sub 3})Cl{sub 2} are formed by Zn{sub 3}Te{sub 3} rings in which each tellurite group connects with one ZnO{sub 3}Cl and two ZnO{sub 2}Cl{sub 2} tetrahedra. BaZn(SeO{sub 3}){sub 2} and BaZn(TeO{sub 3})Cl{sub 2} are wide bandgap semiconductors based on optical diffuse reflectance spectrum measurements.

  2. Structural chemistry and magnetic properties of Nd{sub 18}Li{sub 8}Fe{sub 4}M?O{sub 39} (M?=Al, Ga) and La{sub 18}Li{sub 8}Fe{sub 4.5}In{sub 0.5}O{sub 39}

    SciTech Connect (OSTI)

    Thammajak, Nirawat; Battle, Peter D., E-mail: peter.battle@chem.ox.ac.uk; Brown, Catherine; Higgon, Katherine; Stansfield, Rhian

    2014-01-15T23:59:59.000Z

    Polycrystalline samples of Nd{sub 18}Li{sub 8}Fe{sub 4}M?O{sub 39} (M?=Al, Ga) and La{sub 18}Li{sub 8}Fe{sub 4.5}In{sub 0.5}O{sub 39} have been prepared by the ceramic method and characterised by neutron diffraction and magnetometry. All three compounds adopt a cubic structure (space group Pm3{sup Ż}n, a ?12 Ĺ) based on intersecting ?1 1 1? chains of cation sites with alternating octahedral and prismatic coordination geometry. These sites are occupied by Li, Fe and M? or In; Nd or La cations occupy sites between the chains. The cation distribution over the octahedral and prismatic sites within the chains is disordered in all three compounds. The Nd-containing compositions show spin-glass behaviour below ?4.5 K whereas small, weakly-ferrimagnetic domains form in La{sub 18}Li{sub 8}Fe{sub 4.5}In{sub 0.5}O{sub 39} below 7.60 K. The dependence of the magnetic properties on the nature of the lanthanide cation is discussed. - Graphical abstract: At low temperatures Nd{sub 18}Li{sub 8}Fe{sub 4}M?O{sub 39} (M’=Al, Ga) behave as spin glasses whereas small ferrimagnetic domains form in La{sub 18}Li{sub 8}Fe{sub 4.5}In{sub 0.5}O{sub 39}. Display Omitted - Highlights: • p-Block cations can be accommodated in the La{sub 18}Li{sub 8}Rh{sub 5}O{sub 39} structure. • Small ferrimagnetic domains in La{sub 18}Li{sub 8}Fe{sub 4.5}In{sub 0.5}O{sub 39}. • Magnetic behaviour controlled by the lanthanide cation.

  3. Controlling superconductivity in La<sub>2-xsub>SrxCuO>4+?sub> by ozone and vacuum annealing

    SciTech Connect (OSTI)

    Leng, Xiang [Brookhaven National Lab. (BNL), Upton, NY (United States); Bozovic, Ivan [Brookhaven National Lab. (BNL), Upton, NY (United States)

    2015-01-01T23:59:59.000Z

    In this study we performed a series of ozone and vacuum annealing experiments on epitaxial La<sub>2-xsub>SrxCuO>4+?sub> thin films. The transition temperature after each annealing step has been measured by the mutual inductance technique. The relationship between the effective doping and the vacuum annealing time has been studied. Short-time ozone annealing at 470 °C oxidizes an underdoped film all the way to the overdoped regime. The subsequent vacuum annealing at 350 °C to 380 °C slowly brings the sample across the optimal doping point back to the undoped, non-superconducting state. Several ozone and vacuum annealing cycles have been done on the same sample and the effects were found to be repeatable and reversible Vacuum annealing of ozone-loaded LSCO films is a very controllable process, allowing one to tune the doping level of LSCO in small steps across the superconducting dome, which can be used for fundamental physics studies.

  4. Structure and optical properties of a noncentrosymmetric borate RbSr{sub 4}(BO{sub 3}){sub 3}

    SciTech Connect (OSTI)

    Xia, M.J. [Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); Li, R.K., E-mail: rkli@mail.ipc.ac.cn [Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China)

    2013-01-15T23:59:59.000Z

    A new noncentrosymmetric borate, RbSr{sub 4}(BO{sub 3}){sub 3} (abbreviated as RSBO), has been grown from Rb{sub 2}O--B{sub 2}O{sub 3}--RbF flux and its crystal structure was determined by single crystal x-ray diffraction. It crystallizes in space group Ama2 with cell parameters of a=11.128(10) A, b=12.155(15) A, c=6.952(7) A, Z=4. The basic structural units are isolated planar BO{sub 3} groups. Second harmonic generation (SHG) test of the title compound by the Kurtz-Perry method shows that RSBO can be phase matchable with an effective SHG coefficient about two-thirds as large as that of KH{sub 2}PO{sub 4} (KDP). Finally, based on the anionic group approximation, the optical properties of the title compound are compared with those of the structure-related apatite-like compounds with the formula 'A{sub 5}(TO{sub n}){sub 3}X'. - Graphical abstract: RbSr{sub 4}(BO{sub 3}){sub 3} and some other borate NLO compounds, namely Ca{sub 5}(BO{sub 3}){sub 3}F RCa{sub 4}(BO{sub 3}){sub 3}O (R=Y or Gd) and Na{sub 3}La{sub 2}(BO{sub 3}){sub 3} can be viewed as the derivatives of apatite. They have similar formula composed of five cations and three anion groups (we call them 5/3 structures). The detailed SHG coefficients and optical properties of the apatite-like NLO crystals were compared and summarized. Highlights: Black-Right-Pointing-Pointer A new noncentrosymmetric borate RbSr{sub 4}(BO{sub 3}){sub 3} was grown from flux. Black-Right-Pointing-Pointer The RbSr{sub 4}(BO{sub 3}){sub 3} can be viewed as a derivative of the apatite-like structure. Black-Right-Pointing-Pointer The structure and its relationship to the optical properties of RbSr{sub 4}(BO{sub 3}){sub 3} are compared with other NLO crystals with apatite-like structures. Black-Right-Pointing-Pointer The basic structural units are the planar BO{sub 3} groups in the structure. Black-Right-Pointing-Pointer Second harmonic generation (SHG) test shows that RbSr{sub 4}(BO{sub 3}){sub 3} can be phase matchable with an effective SHG coefficient about two-thirds as large as that of KH{sub 2}PO{sub 4}.

  5. Sub-micron filter

    DOE Patents [OSTI]

    Tepper, Frederick (Sanford, FL); Kaledin, Leonid (Port Orange, FL)

    2009-10-13T23:59:59.000Z

    Aluminum hydroxide fibers approximately 2 nanometers in diameter and with surface areas ranging from 200 to 650 m.sup.2/g have been found to be highly electropositive. When dispersed in water they are able to attach to and retain electronegative particles. When combined into a composite filter with other fibers or particles they can filter bacteria and nano size particulates such as viruses and colloidal particles at high flux through the filter. Such filters can be used for purification and sterilization of water, biological, medical and pharmaceutical fluids, and as a collector/concentrator for detection and assay of microbes and viruses. The alumina fibers are also capable of filtering sub-micron inorganic and metallic particles to produce ultra pure water. The fibers are suitable as a substrate for growth of cells. Macromolecules such as proteins may be separated from each other based on their electronegative charges.

  6. Volatile Loss and Classification of Kuiper Belt Objects

    E-Print Network [OSTI]

    Johnson, R E; Young, L A; Volkov, A N; Schmidt, C

    2015-01-01T23:59:59.000Z

    Observations indicate that some of the largest Kuiper Belt Objects (KBOs) have retained volatiles in the gas phase, which implies the presence of an atmosphere that can affect their reflectance spectra and thermal balance. Volatile escape rates driven by solar heating of the surface were estimated by Schaller and Brown (2007) (SB) and Levi and Podolak (2009)(LP) using Jeans escape from the surface and a hydrodynamic model respectively. Based on recent molecular kinetic simulations these rates can be hugely in error (e.g., a factor of $\\sim 10^{16}$ for the SB estimate for Pluto). In this paper we estimate the loss of primordial N$_2$ for several large KBOs guided by recent molecular kinetic simulations of escape due to solar heating of the surface and due to UV/EUV heating of the upper atmosphere. For the latter we extrapolate simulations of escape from Pluto (Erwin et al. 2013) using the energy limited escape model recently validated for the KBOs of interest by molecular kinetic simulations (Johnson et al. 2...

  7. Thermoelectric properties of p-type (Bi{sub 1{minus}x}Sb{sub x}){sub 2}Te{sub 3} fabricated by mechanical alloying process

    SciTech Connect (OSTI)

    Jung, B.Y.; Choi, J.S.; Oh, T.S.; Hyun, D.B.

    1997-07-01T23:59:59.000Z

    Thermoelectric properties of polycrystalline (Bi{sub 1{minus}x}Sb{sub x}){sub 2}Te{sub 3} (0.75 {le} x {le} 0.85), fabricated by mechanical alloying and hot pressing methods, have been investigated. Formation of (Bi{sub 0.25}Sb{sub 0.75}){sub 2}Te{sub 3} alloy powder was completed by mechanical alloying for 5 hours at ball-to-material ratio of 5:1, and processing time for (Bi{sub 1{minus}sub x}Sb{sub x}){sub 2}Te{sub 3} formation increased with Sb{sub 2}Te{sub 3} content x. When (Bi{sub 0.25}Sb{sub 0.75}){sub 2}Te{sub 3} was hot pressed at temperatures ranging from 300 C to 550 C for 30 minutes, figure-of-merit increased with hot pressing temperature and maximum value of 2.8 x 10{sup {minus}3}/K could be obtained by hot pressing at 550 C. When hot pressed at 550 C, (Bi{sub 0.2}Sb{sub 0.8}){sub 2}Te{sub 3} exhibited figure-of-merit of 2.92 x 10{sup {minus}3}/K, which could be improved to 2.97 x 10{sup {minus}3}/K with addition of 1 wt% Sb as acceptor dopant.

  8. Method of preparing (CH.sub.3).sub.3 SiNSO and byproducts thereof

    DOE Patents [OSTI]

    Spicer, Leonard D. (Salt Lake City, UT); Bennett, Dennis W. (Clemson, SC); Davis, Jon F. (Salt Lake City, UT)

    1984-01-01T23:59:59.000Z

    (CH.sub.3).sub.3 SiNSO is produced by the reaction of ((CH.sub.3).sub.3 Si).sub.2 NH with SO.sub.2. Also produced in the reaction are ((CH.sub.3).sub.3 Si).sub.2 O and a new solid compound [NH.sub.4 ][(CH.sub.3).sub.3 SiOSO.sub.2 ]. Both (CH.sub.3).sub.3 SiNSO and [NH.sub.4 ][(CH.sub.3).sub.3 SiOSO.sub.2 ] have fluorescent properties. The reaction of the subject invention is used in a method of measuring the concentration of SO.sub.2 pollutants in gases. By the method, a sample of gas is bubbled through a solution of ((CH.sub.3).sub.3 Si).sub.2 NH, whereby any SO.sub.2 present in the gas will react to produce the two fluorescent products. The measured fluorescence of these products can then be used to calculate the concentration of SO.sub.2 in the original gas sample. The solid product [NH.sub.4 ][(CH.sub.3).sub.3 SiOSO.sub.2 ] may be used as a standard in solid state NMR spectroscopy.

  9. Corona enhanced absorption of SO sub 2 /NO sub x

    SciTech Connect (OSTI)

    Dhali, S.K.

    1990-11-01T23:59:59.000Z

    This report contains results of an investigation of plasma-assisted oxidation of SO{sub 2} to SO{sub 3}. The SO{sub 3} is a more desirable by-product of flue gas than SO{sub 2} because it easily dissolves in water and can be reacted with lime to form gypsum. A coaxial dielectric-barrier discharge is used to generate an air plasma to carry out the reaction. The dielectric-barrier discharge,which is an interrupted discharge, is very efficient in producing atomic oxygen and requires a simple form of excitation. We have observed a significant reduction (over 75%) in the SO{sub 2} concentration using this technique. The simulation results indicate that about 99% of the SO{sub 2} can be oxidized with UV-irradiation along with plasma oxidation and that NO{sub x} can be reduced to N{sub 2} in the presence of an air plasma. The results of varying the gas composition, the gas pressure, and the gas flow are also reported. 18 refs., 8 figs.

  10. Distribution of cations in wurtzitic In<sub>xGa>1-xsub>N and In<sub>xAl>1-xsub>N alloys: Consequences for energetics and quasiparticle electronic structures

    SciTech Connect (OSTI)

    de Carvalho, Luiz Cláudio; Schleife, André; Furthmüller, Jürgen; Bechstedt, Friedhelm

    2012-03-01T23:59:59.000Z

    The ternary, isostructural, wurtzite-derived group-III mononitride alloys In<sub>xGa>1-xsub>N andIn<sub>xAl>1-xsub>N are reexamined within a cluster expansion approach. Using density functional theory together with the AM05 exchange-correlation functional, the total energies and the optimized atomic geometries of all 22 clusters classes of the cluster expansion for each material system are calculated. The computationally demanding calculation of the corresponding quasiparticle electronic structures is achieved for all cluster classes by means of a recently developed scheme to approximately solve the quasiparticle equation based on the HSE06 hybrid functional and the G?W? approach. Using two different alloy statistics, the configurational averages for the lattice parameters, the mixing enthalpies, and the bulk moduli are calculated. The composition-dependent electronic structures of the alloys are discussed based on configurationally averaged electronic states, band gaps, and densities of states. Ordered cluster arrangements are found to be energetically rather unfavorable, however, they possess the smallest energy gaps and, hence, contribute to light emission. The influence of the alloy statistics on the composition dependencies and the corresponding bowing parameters of the band gaps is found to be significant and should, hence, lead to different signatures in the optical-absorption or -emission spectra.

  11. Volatility-- a statistical comparison between the secondary and primary home markets : the lower Cape's volatility and average return compared to three Boston area primary markets

    E-Print Network [OSTI]

    Knight, Craig, 1971-

    2003-01-01T23:59:59.000Z

    This thesis attempts to analyze the long-standing perception that the secondary home market, homes built in and around vacation areas, is more volatile than the primary home market. For the first time, this study measures ...

  12. Crystallographic, electronic, thermal, and magnetic properties of single-crystal SrCo<sub>2sub>As>2sub>

    SciTech Connect (OSTI)

    Pandey, Abhishek [Ames Lab. and Iowa State Univ., Ames, IA (United States). Dept. of Physics and Astronomy; Quirinale, D. G. [Ames Lab. and Iowa State Univ., Ames, IA (United States). Dept. of Physics and Astronomy; Jayasekara, W. [Ames Lab. and Iowa State Univ., Ames, IA (United States). Dept. of Physics and Astronomy; Sapkota, A. [Ames Lab. and Iowa State Univ., Ames, IA (United States). Dept. of Physics and Astronomy; Kim, M. G. [Ames Lab. and Iowa State Univ., Ames, IA (United States). Dept. of Physics and Astronomy; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Dhaka, R. S. [Ames Lab. and Iowa State Univ., Ames, IA (United States). Dept. of Physics and Astronomy; Lee, Y. [Ames Lab. and Iowa State Univ., Ames, IA (United States). Dept. of Physics and Astronomy; Heitmann, T. W. [Univ. of Missouri, Columbia, MO (United States). Missouri Research Reactor; Stephens, P. W. [State Univ. of New York (SUNY), Plattsburgh, NY (United States); Ogloblichev, V. [Russian Academy of Sciences, Urals Div., Ekaterinburg (Russian Federation). Inst. of Metal Physics; Kreyssig, A. [Ames Lab. and Iowa State Univ., Ames, IA (United States). Dept. of Physics and Astronomy; McQueeney, R. J. [Ames Lab. and Iowa State Univ., Ames, IA (United States). Dept. of Physics and Astronomy; Goldman, A. I. [Ames Lab. and Iowa State Univ., Ames, IA (United States). Dept. of Physics and Astronomy; Kaminski, Adam [Ames Lab. and Iowa State Univ., Ames, IA (United States). Dept. of Physics and Astronomy; Harmon, B. N. [Ames Lab. and Iowa State Univ., Ames, IA (United States). Dept. of Physics and Astronomy; Furukawa, Y. [Ames Lab. and Iowa State Univ., Ames, IA (United States). Dept. of Physics and Astronomy; Johnston, D. C. [Ames Lab. and Iowa State Univ., Ames, IA (United States). Dept. of Physics and Astronomy

    2013-07-01T23:59:59.000Z

    In tetragonal SrCo<sub>2sub>As>2 sub>single crystals, inelastic neutron scattering measurements demonstrated that strong stripe-type antiferromagnetic (AFM) correlations occur at a temperature T = 5 K [W. Jayasekara et al., arXiv:1306.5174] that are the same as in the isostructural AFe<sub>2sub>As>2sub> (A = Ca, Sr, Ba) parent compounds of high-T<sub>c> superconductors. This surprising discovery suggests that SrCo<sub>2sub>As>2sub> may also be a good parent compound for high-T<sub>c sub>superconductivity. Here, structural and thermal expansion, electrical resistivity ?, angle-resolved photoemission spectroscopy (ARPES), heat capacity C<sub>p>, magnetic susceptibility ?, 75As NMR and neutron diffraction measurements of SrCo<sub>2sub>As>2sub> crystals are reported together with LDA band structure calculations that shed further light on this fascinating material. The c-axis thermal expansion coefficient ?<sub>c> is negative from 7 to 300 K, whereas ?<sub>a> is positive over this T range. The ?(T) shows metallic character. The ARPES measurements and band theory confirm the metallic character and in addition show the presence of a flat band near the Fermi energy E<sub>F>. The band calculations exhibit an extremely sharp peak in the density of states D(E<sub>F>) arising from a flat d<sub>x2-y2sub> band. A comparison of the Sommerfeld coefficient of the electronic specific heat with ?(T ? 0) suggests the presence of strong ferromagnetic itinerant spin correlations which on the basis of the Stoner criterion predicts that SrCo<sub>2sub>As>2sub> should be an itinerant ferromagnet, in conflict with the magnetization data. The ?(T) does have a large magnitude, but also exhibits a broad maximum at 115 K suggestive of dynamic short-range AFM spin correlations, in agreement with the neutron scattering data. The measurements show no evidence for any type of phase transition between 1.3 and 300 K and we propose that metallic SrCo<sub>2sub>As>2sub> has a gapless quantum spin-liquid ground state.

  13. Measurement of the ?<sub>b>? lifetime in the exclusive decay ?<sub>b>??J/??? in pp? collisions at ?s=1.96 TeV

    SciTech Connect (OSTI)

    Abazov, V. M.; Abbott, B.; Acharya, B. S.; Adams, M.; Adams, T.; Alexeev, G. D.; Alkhazov, G.; Alton, A.; Alverson, G.; Aoki, M.; Askew, A.; Atkins, S.; Augsten, K.; Avila, C.; Badaud, F.; Bagby, L.; Baldin, B.; Bandurin, D. V.; Banerjee, S.; Barberis, E.; Baringer, P.; Barreto, J.; Bartlett, J. F.; Bassler, U.; Bazterra, V.; Bean, A.; Begalli, M.; Bellantoni, L.; Beri, S. B.; Bernardi, G.; Bernhard, R.; Bertram, I.; Besançon, M.; Beuselinck, R.; Bezzubov, V. A.; Bhat, P. C.; Bhatia, S.; Bhatnagar, V.; Blazey, G.; Blessing, S.; Bloom, K.; Boehnlein, A.; Boline, D.; Boos, E. E.; Borissov, G.; Bose, T.; Brandt, A.; Brandt, O.; Brock, R.; Brooijmans, G.; Bross, A.; Brown, D.; Brown, J.; Bu, X. B.; Buehler, M.; Buescher, V.; Bunichev, V.; Burdin, S.; Buszello, C. P.; Camacho-Pérez, E.; Casey, B. C. K.; Castilla-Valdez, H.; Caughron, S.; Chakrabarti, S.; Chakraborty, D.; Chan, K. M.; Chandra, A.; Chapon, E.; Chen, G.; Chevalier-Théry, S.; Cho, D. K.; Cho, S. W.; Choi, S.; Choudhary, B.; Cihangir, S.; Claes, D.; Clutter, J.; Cooke, M.; Cooper, W. E.; Corcoran, M.; Couderc, F.; Cousinou, M.-C.; Croc, A.; Cutts, D.; Das, A.; Davies, G.; de Jong, S. J.; De La Cruz-Burelo, E.; Déliot, F.; Demina, R.; Denisov, D.; Denisov, S. P.; Desai, S.; Deterre, C.; DeVaughan, K.; Diehl, H. T.; Diesburg, M.; Ding, P. F.; Dominguez, A.; Dubey, A.; Dudko, L. V.; Duggan, D.; Duperrin, A.; Dutt, S.; Dyshkant, A.; Eads, M.; Edmunds, D.; Ellison, J.; Elvira, V. D.; Enari, Y.; Evans, H.; Evdokimov, A.; Evdokimov, V. N.; Facini, G.; Feng, L.; Ferbel, T.; Fiedler, F.; Filthaut, F.; Fisher, W.; Fisk, H. E.; Fortner, M.; Fox, H.; Fuess, S.; Garcia-Bellido, A.; García-González, J. A.; García-Guerra, G. A.; Gavrilov, V.; Gay, P.; Geng, W.; Gerbaudo, D.; Gerber, C. E.; Gershtein, Y.; Ginther, G.; Golovanov, G.; Goussiou, A.; Grannis, P. D.; Greder, S.; Greenlee, H.; Grenier, G.; Gris, Ph.; Grivaz, J.-F.; Grohsjean, A.; Grünendahl, S.; Grünewald, M. W.; Guillemin, T.; Gutierrez, G.; Gutierrez, P.; Haas, A.; Hagopian, S.; Haley, J.; Han, L.; Harder, K.; Harel, A.; Hauptman, J. M.; Hays, J.; Head, T.; Hebbeker, T.; Hedin, D.; Hegab, H.; Heinson, A. P.; Heintz, U.; Hensel, C.; Heredia-De La Cruz, I.; Herner, K.; Hesketh, G.; Hildreth, M. D.; Hirosky, R.; Hoang, T.; Hobbs, J. D.; Hoeneisen, B.; Hohlfeld, M.; Howley, I.; Hubacek, Z.; Hynek, V.; Iashvili, I.; Ilchenko, Y.; Illingworth, R.; Ito, A. S.; Jabeen, S.; Jaffré, M.; Jayasinghe, A.; Jesik, R.; Johns, K.; Johnson, E.; Johnson, M.; Jonckheere, A.; Jonsson, P.; Joshi, J.; Jung, A. W.; Juste, A.; Kaadze, K.; Kajfasz, E.; Karmanov, D.; Kasper, P. A.; Katsanos, I.; Kehoe, R.; Kermiche, S.; Khalatyan, N.; Khanov, A.; Kharchilava, A.; Kharzheev, Y. N.; Kiselevich, I.; Kohli, J. M.; Kozelov, A. V.; Kraus, J.; Kulikov, S.; Kumar, A.; Kupco, A.; Kur?a, T.; Kuzmin, V. A.; Lammers, S.; Landsberg, G.; Lebrun, P.; Lee, H. S.; Lee, S. W.; Lee, W. M.; Lellouch, J.; Li, H.; Li, L.; Li, Q. Z.; Lim, J. K.; Lincoln, D.; Linnemann, J.; Lipaev, V. V.; Lipton, R.; Liu, H.; Liu, Y.; Lobodenko, A.; Lokajicek, M.; Lopes de Sa, R.; Lubatti, H. J.; Luna-Garcia, R.; Lyon, A. L.; Maciel, A. K. A.; Madar, R.; Magańa-Villalba, R.; Malik, S.; Malyshev, V. L.; Maravin, Y.; Martínez-Ortega, J.; McCarthy, R.; McGivern, C. L.; Meijer, M. M.; Melnitchouk, A.; Menezes, D.; Mercadante, P. G.; Merkin, M.; Meyer, A.; Meyer, J.; Miconi, F.; Mondal, N. K.; Mulhearn, M.; Nagy, E.; Naimuddin, M.; Narain, M.; Nayyar, R.; Neal, H. A.; Negret, J. P.; Neustroev, P.; Nunnemann, T.; Obrant, G.; Orduna, J.; Osman, N.; Osta, J.; Padilla, M.; Pal, A.; Parashar, N.; Parihar, V.; Park, S. K.; Partridge, R.; Parua, N.; Patwa, A.; Penning, B.; Perfilov, M.; Peters, Y.; Petridis, K.; Petrillo, G.; Pétroff, P.; Pleier, M.-A.; Podesta-Lerma, P. L. M.; Podstavkov, V. M.; Popov, A. V.; Prewitt, M.; Price, D.; Prokopenko, N.; Qian, J.; Quadt, A.; Quinn, B.; Rangel, M. S.; Ranjan, K.; Ratoff, P. N.; Razumov, I.; Renkel, P.; Ripp-Baudot, I.; Rizatdinova, F.; Rominsky, M.; Ross, A.; Royon, C.; Rubinov, P.; Ruchti, R.; Sajot, G.; Salcido, P.; Sánchez-Hernández, A.; Sanders, M. P.; Sanghi, B.; Santos, A. S.; Savage, G.; Sawyer, L.; Scanlon, T.; Schamberger, R. D.; Scheglov, Y.; Schellman, H.; Schlobohm, S.; Schwanenberger, C.; Schwienhorst, R.; Sekaric, J.; Severini, H.; Shabalina, E.; Shary, V.; Shaw, S.; Shchukin, A. A.; Shivpuri, R. K.; Simak, V.; Skubic, P.; Slattery, P.; Smirnov, D.; Smith, K. J.; Snow, G. R.; Snow, J.; Snyder, S.; Söldner-Rembold, S.; Sonnenschein, L.; Soustruznik, K.; Stark, J.; Stoyanova, D. A.; Strauss, M.; Stutte, L.; Suter, L.; Svoisky, P.; Takahashi, M.; Titov, M.; Tokmenin, V. V.; Tsai, Y.-T.; Tschann-Grimm, K.; Tsybychev, D.; Tuchming, B.; Tully, C.; Uvarov, L.; Uvarov, S.; Uzunyan, S.; Van Kooten, R.

    2012-06-01T23:59:59.000Z

    We measure the ??<sub>b> lifetime in the fully reconstructed decay ??<sub>b>?J/??? using 10.4 fb?ą of pp? collisions collected with the D0 detector at ?s=1.96 TeV. The lifetime of the topologically similar decay channel B??J/?K?<sub>S> is also measured. We obtain ?(??<sub>b>)=1.303±0.075(stat)±0.035(syst) ps and ?(B?)=1.508±0.025(stat)±0.043(syst) ps. Using these measurements, we determine the lifetime ratio of ?(??<sub>b>)/?(B?)=0.864±0.052(stat)±0.033(syst).

  14. Correlation between upconversion photoluminescence and dielectric response in Ba-substituted (Sr{sub 1?x}Ba{sub x}){sub 4}(La{sub 0.85}Ho{sub 0.025}Yb{sub 0.125}){sub 2}Ti{sub 4}Nb{sub 6}O{sub 30}

    SciTech Connect (OSTI)

    Wei, T., E-mail: weitong.nju@gmail.com [College of Science, Civil Aviation University of China, Tianjin 300300 (China); Laboratory of Solid State Microstructures, Nanjing University, Nanjing 210093 (China); Wang, X. D. [College of Science, Civil Aviation University of China, Tianjin 300300 (China); Zhao, C. Z. [School of Electronics and Information Engineering, Tianjin Polytechnic University, Tianjin 300160 (China); Liu, M. F.; Liu, J. M., E-mail: liujm@nju.edu.cn [Laboratory of Solid State Microstructures, Nanjing University, Nanjing 210093 (China)

    2014-06-30T23:59:59.000Z

    The filled tetragonal tungsten bronze (Sr{sub 1?x}Ba{sub x}){sub 4}(La{sub 0.85}Ho{sub 0.025}Yb{sub 0.125}){sub 2}Ti{sub 4}Nb{sub 6}O{sub 30} (SBLTNx: Ho-Yb) ceramics with different Ba substitution levels (x) are prepared. The upconversion photoluminescence (UC-PL) and dielectric permittivity are investigated. The substitution of Sr{sup 2+} ions at the A{sub 2}-sites by larger Ba{sup 2+} ions results in substantial variation of the UC-PL intensity as a function of substitution level x. Furthermore, the dielectric response to the substitution of Sr{sup 2+} by Ba{sup 2+} suggests a close correlation between the UC-PL intensity and dielectric permittivity. The origin for this correlation is discussed based on the random stress field (RSF) model.

  15. Electronic structure and bonding in garnet crystals Gd{sub 3}Sc{sub 2}Ga{sub 3}O{sub 12}, Gd{sub 3}Sc{sub 2}Al{sub 3}O{sub 12}, and Gd{sub 3}Ga{sub 3}O{sub 12} compared to Y{sub 3}Al{sub 3}O{sub 12}

    SciTech Connect (OSTI)

    Xu, Yong-Nian [Department of Physics, University of Missouri-Kansas City, Kansas City, Missouri 64110 (United States)] [Department of Physics, University of Missouri-Kansas City, Kansas City, Missouri 64110 (United States); Ching, W. Y. [Department of Physics, University of Missouri-Kansas City, Kansas City, Missouri 64110 (United States)] [Department of Physics, University of Missouri-Kansas City, Kansas City, Missouri 64110 (United States); Brickeen, B. K. [Allied Signal FM and T, Kansas City, Missouri 64141 (United States)] [Allied Signal FM and T, Kansas City, Missouri 64141 (United States)

    2000-01-15T23:59:59.000Z

    The electronic structure and bonding of Gd{sub 3}Sc{sub 2}Ga{sub 3}O{sub 12} (GSGG), Gd{sub 3}Sc{sub 2}Al{sub 3}O{sub 12} (GSAG), and Gd{sub 3}Ga{sub 5}O{sub 12} (GGG) crystals with a garnet structure are studied by means of first-principles local-density calculations. The results are compared with a similar calculation on yttrium aluminum garnet [Y{sub 3}Al{sub 5}O{sub 12} (YAG)]. The calculated equilibrium volumes of the three crystals are close to the measured volumes with a slight overestimation for GGG. GGG also has a smaller bulk modulus than the other three crystals. The calculated density of states and their atomic and orbital decompositions are presented and contrasted. All four crystals show very similar band structures and interatomic bonding. However, it is found that in GSGG and GSAG crystals, the Sc atom at the octahedral site shows a higher covalent character and an increased bond order in comparison to Ga or Al at the same site. This result may provide some insight into the significant difference in the radiation hardness of Cr{sup 3+}:Nd{sup 3+}:GSGG as compared to Nd{sup 3+}:YAG. (c) 2000 The American Physical Society.

  16. Combined SO sub 2 /NO sub x reduction technology

    SciTech Connect (OSTI)

    Livengood, C.D.; Huang, H.S. (Argonne National Lab., IL (United States)); Markussen, J.M. (USDOE Pittsburgh Energy Technology Center, PA (United States))

    1992-01-01T23:59:59.000Z

    Enactment of the Clean Air Act Amendments and passage of state legislation leading to more stringent nitrogen oxides (NO{sub x}) regulations have fueled research and development efforts on technologies for the combined control of sulfur dioxide (SO{sub 2}) and NO{sub x}. The integrated removal of both SO{sub 2} and NO{sub x}, in a single system can offer significant advantages over the use of several separate processes, including such factors as reduced system complexity, better operability, and lower costs. This paper reviews the status of a number of integrated flue-gas-cleanup (FGC) systems that have reached a significant stage of development, focusing on post-combustion processes that have been tested or are ready for testing at the pilot scale or larger. A brief process description, a summary of the development status and performance achieved to date, pending commercialization issues, and process economics (when available) are given for each technology.

  17. Li{sub 2}B{sub 3}O{sub 4}F{sub 3}, a new lithium-rich fluorooxoborate

    SciTech Connect (OSTI)

    Pilz, Thomas; Nuss, Hanne [Max Planck Institute for Solid State Research, Heisenbergstrasse 1, 70569 Stuttgart (Germany); Jansen, Martin, E-mail: M.Jansen@fkf.mpg.de [Max Planck Institute for Solid State Research, Heisenbergstrasse 1, 70569 Stuttgart (Germany)

    2012-02-15T23:59:59.000Z

    The new lithium fluorooxoborate, Li{sub 2}B{sub 3}O{sub 4}F{sub 3}, is obtained by a solid state reaction from LiBO{sub 2} and LiBF{sub 4} at 553 K and crystallizes in the acentric orthorhombic space group P2{sub 1}2{sub 1}2{sub 1} (no. 19) with the cell parameters a=4.8915(9), b=8.734(2), and c=12.301(2) A. Chains of fluorinated boroxine rings along the b axis consists of BO{sub 3} triangles and BO{sub 2}F{sub 2} as well as BO{sub 3}F tetrahedra. Mobile lithium ions are compensating the negative charge of the anionic chain, in which the fourfold coordinated boron atoms bear a negative formal charge. Annealing Li{sub 2}B{sub 3}O{sub 4}F{sub 3} at temperatures above 573 K leads to conversion into Li{sub 2}B{sub 6}O{sub 9}F{sub 2}. The title compound is an ionic conductor with the highest ion conductivity among the hitherto know lithium fluorooxoborates, with conductivities of 1.6 Multiplication-Sign 10{sup -9} and 1.8 Multiplication-Sign 10{sup -8} S cm{sup -1} at 473 and 523 K, respectively. - Graphical abstract: Repetition unit of Li{sub 2}B{sub 3}O{sub 4}F{sub 3}. Highlights: Black-Right-Pointing-Pointer Li{sub 2}B{sub 3}O{sub 4}F{sub 3} is the third member within the family of lithium fluorooxoborates. Black-Right-Pointing-Pointer It shows the highest lithium ion conductivity among them. Black-Right-Pointing-Pointer Chains of interconnected fluorinated boroxine rings run along the b axis. Black-Right-Pointing-Pointer Acentric space group meets the requirement for second harmonic generation.

  18. Cross-Section of Option Returns and Volatility Goizueta Business School

    E-Print Network [OSTI]

    compute the stock's IV by taking the average of the ATM call and put implied-volatilities. This also-section of stock option returns by constructing decile portfolios of straddles and delta-hedged calls and puts based on sorting stocks on the differ- ence between historical realized volatility and at

  19. A comparison of option prices under different pricing measures in a stochastic volatility model

    E-Print Network [OSTI]

    Howison, Sam

    A comparison of option prices under different pricing measures in a stochastic volatility model with correlation Vicky Henderson Princeton University David Hobson § University of Bath Sam Howison ¶ University option prices in an incomplete stochastic volatility model with correlation. In a general setting, we

  20. Buying in a volatile market: variable or fixed price? Professor of Purchasing Management

    E-Print Network [OSTI]

    Vellekoop, Michel

    , in markets like money, stock or oil markets; sometimes they are rather lengthy, in markets like the steelBuying in a volatile market: variable or fixed price? Jan Telgen Professor of Purchasing Management Many commodities are bought in a volatile market, where the purchasing price changes constantly

  1. Volatility Forecasts in Financial Time Series with HMM-GARCH Models

    E-Print Network [OSTI]

    Chen, Yiling

    Volatility Forecasts in Financial Time Series with HMM-GARCH Models Xiong-Fei Zhuang and Lai {xfzhuang,lwchan}@cse.cuhk.edu.hk Abstract. Nowadays many researchers use GARCH models to generate of the two parameters G1 and A1[1], in GARCH models is usually too high. Since volatility forecasts in GARCH

  2. Output Growth and Its Volatility: The Gold Standard through the Great Moderation

    E-Print Network [OSTI]

    Ahmad, Sajjad

    of real GDP growth and some form of a generalized autoregressive conditional heteroskedasticity (GARCH GARCH or exponential GARCH (EGARCH) process, capturing the movement in volatility. The neglect persistence in the conditional volatility or integrated GARCH (IGARCH). That is, typically all persistence

  3. Scaling and memory of intraday volatility return intervals in stock markets Fengzhong Wang,1

    E-Print Network [OSTI]

    Stanley, H. Eugene

    Scaling and memory of intraday volatility return intervals in stock markets Fengzhong Wang,1 Kazuko interval between price volatilities that are above a certain threshold q for 31 intraday data sets Yamasaki,1,2 Shlomo Havlin,1,3 and H. Eugene Stanley1 1 Center for Polymer Studies and Department

  4. Volatile fractionation in the early solar system and chondrule matrix complementarity

    E-Print Network [OSTI]

    Demouchy, Sylvie

    Volatile fractionation in the early solar system and chondrule matrix complementarity Philip A and Astromaterials Research Centre, Department of Mineralogy, Natural History Museum, Cromwell Road, London SW7 5BD. Although volatile depletion was the most fundamental chemical process affecting the inner solar nebula

  5. Ab initio study of irradiation tolerance for different M{sub n+1}AX{sub n} phases: Ti{sub 3}SiC{sub 2} and Ti{sub 3}AlC{sub 2}

    SciTech Connect (OSTI)

    Zhao, Shijun; Xue, Jianming, E-mail: jmxue@pku.edu.cn; Wang, Yugang [State Key Laboratory of Nuclear Physics and Technology, School of Physics, Peking University, Beijing 100871 (China); Center for Applied Physics and Technology, Peking University, Beijing 100871 (China); Huang, Qing [Ningbo Institute of Material Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201, Zhejiang (China)

    2014-01-14T23:59:59.000Z

    Layered ternary M{sub n+1}AX{sub n} (MAX) materials are recently proposed to be promising candidates for future fission and fusion programmes because of their unique properties inherited from both ceramics and metals. However, different M{sub n+1}AX{sub n} materials demonstrate different behaviors when exposed to energetic neutron or ion irradiations. Based on first-principles calculations, we have investigated the irradiation tolerance of two typical M{sub n+1}AX{sub n} materials: Ti{sub 3}SiC{sub 2} and Ti{sub 3}AlC{sub 2} from two aspects. First, we make a detailed analysis on the interatomic bonding characters, which are believed to be responsible for the resistance to radiation-induced amorphization. Second, the formation energies of various intrinsic and antisite defects in these two compounds are calculated in order to elucidate their amorphization mechanism. Our results show that the absence of orbitals overlap of Al-C in Ti{sub 3}AlC{sub 2} renders it more resistant to amorphization compared to Ti{sub 3}SiC{sub 2}. In addition, the antisite defects Al{sub Ti(1)} and Al{sub Ti(2)} in Ti{sub 3}AlC{sub 2} have much lower formation energies compared to Si{sub Ti(1)} and Si{sub Ti(2)} in Ti{sub 3}SiC{sub 2}, which implies that the replacement of Ti with Al is easier than Si, thus providing an alternative way to accommodate the defects resulted from irradiation damage cascades. These results indicate that Ti{sub 3}AlC{sub 2} is more irradiation tolerant than Ti{sub 3}SiC{sub 2}, in accordance with experimental observations. Our results have profound implications for the choice of appropriate MAX phase with best performance to be used in next reaction reactors.

  6. Structural and magnetic properties and superconductivity in Ba(Fe{sub 1-x}TM{sub x}){sub 2}As{sub 2}

    SciTech Connect (OSTI)

    Thaler, Alexander

    2012-07-23T23:59:59.000Z

    We studied the effects on structural and magnetic phase transitions and the emergence of superconductivity in transition metal substituted BaFe{sub 2}As{sub 2}. We grew four series of Ba(Fe{sub 1-x}TM{sub x}){sub 2}As{sub 2} (TM=Ru, Mn, Co+Cr and Co+Mn) and characterized them by crystallographic, magnetic and transport measurements. We also subjected Ba(Fe{sub 1-x}Cr{sub x}){sub 2}As{sub 2} and Ba(Fe{sub 1-x}Co{sub x}){sub 2}As{sub 2} to heat treatment to explore what changes might be induced.

  7. Exchange integrals in magnetoelectric hexagonal ferrite (SrCo{sub 2}Ti{sub 2}Fe{sub 8}O{sub 19}): A density functional study

    SciTech Connect (OSTI)

    Feng, Min [School of Physics, Nankai University, Tianjin 300071 (China); Shao, Bin [Department of Physics, Tsinghua University, Beijing 100084 (China); Lu, Yuan; Zuo, Xu, E-mail: xzuonku@gmail.com [College of Electronic Information and Optical Engineering, Nankai University, Tianjin 300071 (China)

    2014-05-07T23:59:59.000Z

    The exchange integrals in magnetoelectric hexagonal ferrite SrCo{sub 2}Ti{sub 2}Fe{sub 8}O{sub 19} have been calculated by using density functional theory. To get 10 inter-sublattice and 3 intra-sublattice exchange integrals, the electronic structures and total energies of 20 spin arrangements have been calculated with General Gradient Approximation (GGA) + U method. The dependence of exchange integrals on U has been studied. The comparison between the exchange integrals in SrFe{sub 12}O{sub 19} and those in SrCo{sub 2}Ti{sub 2}Fe{sub 8}O{sub 19} shows that substitution of Co and Ti decreases the most interactions involving the 12?k sites. The investigation based on our exchange integrals indicates that magnetic interaction between R and S blocks reduces significantly in SrCo{sub 2}Ti{sub 2}Fe{sub 8}O{sub 19}.

  8. Final Report - Glass Formulation Testing to Increase Sulfate Volatilization from Melter, VSL-04R4970-1, Rev. 0, dated 2/24/05

    SciTech Connect (OSTI)

    Kruger, Albert A.; Matlack, K. A.; Pegg, I. L.; Gong, W.

    2013-11-13T23:59:59.000Z

    The principal objectives of the DM100 and DM10 tests were to determine the impact of four different organics and one inorganic feed additive on sulfate volatilization and to determine the sulfur partitioning between the glass and the off-gas system. The tests provided information on melter processing characteristics and off-gas data including sulfur incorporation and partitioning. A series of DM10 and DM100 melter tests were conducted using a LAW Envelope A feed. The testing was divided into three parts. The first part involved a series of DM10 melter tests with four different organic feed additives: sugar, polyethylene glycol (PEG), starch, and urea. The second part involved two confirmatory 50-hour melter tests on the DM100 using the best combination of reductants and conditions based on the DM10 results. The third part was performed on the DM100 with feeds containing vanadium oxide (V{sub 2}O{sub 5}) as an inorganic additive to increase sulfur partitioning to the off-gas. Although vanadium oxide is not a reductant, previous testing has shown that vanadium shows promise for partitioning sulfur to the melter exhaust, presumably through its known catalytic effect on the SO{sub 2}/SO{sub 3} reaction. Crucible-scale tests were conducted prior to the melter tests to confirm that the glasses and feeds would be processable in the melter and that the glasses would meet the waste form (ILAW) performance requirements. Thus, the major objectives of these tests were to: ? Perform screening tests on the DM10 followed by tests on the DM100-WV system using a LAW -Envelope A feed with four organic additives to assess their impact on sulfur volatilization. ? Perform tests on the DM100-WV system using a LAW -Envelope A feed containing vanadium oxide to assess its impact on sulfur volatilization. ? Determine feed processability and product quality with the above additives. ? Collect melter emissions data to determine the effect of additives on sulfur partitioning and melter emissions. ? Collect and analyze discharged glass to determine sulfur retention in the glass. ? Prepare and characterize feeds and glasses with the additives to confirm that the feeds and the glass melts are suitable for processing in the DM100 melter. ? Prepare and characterize glasses with the additives to confirm that the glasses meet the waste form (ILAW) performance requirements.

  9. Using futures prices to filter short-term volatility and recover a latent, long-term price series for oil

    E-Print Network [OSTI]

    Herce, Miguel Angel

    2006-01-01T23:59:59.000Z

    Oil prices are very volatile. But much of this volatility seems to reflect short-term,transitory factors that may have little or no influence on the price in the long run. Many major investment decisions should be guided ...

  10. System for loading executable code into volatile memory in a downhole tool

    DOE Patents [OSTI]

    Hall, David R. (Provo, UT); Bartholomew, David B. (Springville, UT); Johnson, Monte L. (Orem, UT)

    2007-09-25T23:59:59.000Z

    A system for loading an executable code into volatile memory in a downhole tool string component comprises a surface control unit comprising executable code. An integrated downhole network comprises data transmission elements in communication with the surface control unit and the volatile memory. The executable code, stored in the surface control unit, is not permanently stored in the downhole tool string component. In a preferred embodiment of the present invention, the downhole tool string component comprises boot memory. In another embodiment, the executable code is an operating system executable code. Preferably, the volatile memory comprises random access memory (RAM). A method for loading executable code to volatile memory in a downhole tool string component comprises sending the code from the surface control unit to a processor in the downhole tool string component over the network. A central processing unit writes the executable code in the volatile memory.

  11. Improved Search for ??<sub>????e> Oscillations in the MiniBooNE Experiment

    SciTech Connect (OSTI)

    Aguilar-Arevalo, A. A.; Brown, B. C.; Bugel, L.; Cheng, G.; Church, E. D.; Conrad, J. M.; Dharmapalan, R.; Djurcic, Z.; Finley, D. A.; Ford, R.; Garcia, F. G.; Garvey, G. T.; Grange, J.; Huelsnitz, W.; Ignarra, C.; Imlay, R.; Johnson, R. A.; Karagiorgi, G.; Katori, T.; Kobilarcik, T.; Louis, W. C.; Mariani, C.; Marsh, W.; Mills, G. B.; Mirabal, J.; Moore, C. D.; Mousseau, J.; Nienaber, P.; Osmanov, B.; Pavlovic, Z.; Perevalov, D.; Polly, C. C.; Ray, H.; Roe, B. P.; Russell, A. D.; Shaevitz, M. H.; Spitz, J.; Stancu, I.; Tayloe, R.; Van de Water, R. G.; White, D. H.; Wickremasinghe, D. A.; Zeller, G. P.; Zimmerman, E. D.

    2013-04-01T23:59:59.000Z

    The MiniBooNE experiment at Fermilab reports results from an analysis of ?Ż<sub>e> appearance data from 11.27×10˛? protons on target in the antineutrino mode, an increase of approximately a factor of 2 over the previously reported results. An event excess of 78.4±28.5 events (2.8?) is observed in the energy range 200QE<sub>?><1250 MeV. If interpreted in a two-neutrino oscillation model, ?Ż<sub>???Że>, the best oscillation fit to the excess has a probability of 66% while the background-only fit has a ?˛ probability of 0.5% relative to the best fit. The data are consistent with antineutrino oscillations in the 0.01

  12. Synthesis and X-ray structural investigation of K{sub 8}[(UO{sub 2}){sub 2}(C{sub 2}O{sub 4}){sub 2}(SeO{sub 4}){sub 4}] . 2H{sub 2}O

    SciTech Connect (OSTI)

    Serezhkina, L. B., E-mail: lserezh@ssu.samara.ru [Samara State University (Russian Federation); Peresypkina, E. V.; Virovets, A. V. [Russian Academy of Sciences, Nikolaev Institute of Inorganic Chemistry, Siberian Branch (Russian Federation); Verevkin, A. G.; Pushkin, D. V. [Samara State University (Russian Federation)

    2009-01-15T23:59:59.000Z

    Single crystals of the compound K{sub 8}[(UO{sub 2}){sub 2}(C{sub 2}O{sub 4}){sub 2}(SeO{sub 4})4] . 2H{sub 2}O (I) are synthesized, and their structure is investigated using X-ray diffraction. Compound I crystallizes in the monoclinic system with the unit cell parameters a = 14.9290(4) A, b = 7.2800(2) A, c = 15.3165(4) A, {beta} = 109.188(1){sup o}, V = 1572.17(7) A{sup 3}, space group P2{sub 1}/n, Z = 2, and R = 0.0297. The uranium-containing structural units of crystals I are dimers of the composition [(UO {sub 2}){sub 2}(C{sub 2}O{sub 4}){sub 2}(SeO{sub 4}){sub 4}]{sup 8-}, which belong to the crystal-chemical group AB{sup 01}B{sup 2}M{sup 1} (A = UO{sub 2}{sup 2+}, B{sup 01} = C{sub 2}O{sub 4}{sup 2-}, B{sup 2} = SeO{sub 4}{sup 2-}, M{sup 1} = SeO{sub 4}{sup 2-}) of the uranyl complexes. The [(UO{sub 2}){sub 2}(C{sub 2}O{sub 4}){sub 2}(SeO{sub 4}){sub 4}]{sup 8-} dimers are joined into a three-dimensional framework through electrostatic interactions with the outer-sphere potassium cations.

  13. Bifunctional Fe{sub 3}O{sub 4}@Gd{sub 2}O{sub 3}:Eu{sup 3+}nanocomposites obtained by the homogeneous precipitation method

    SciTech Connect (OSTI)

    Peng, Hongxia [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry (Ministry of Education), Shanxi Key Laboratory of Physico-Inorganic Chemistry, School of Chemistry and Materials Science, Northwest University, Xi’an, Shanxi 710069 (China); Cui, Bin, E-mail: cuibin@nwu.edu.cn [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry (Ministry of Education), Shanxi Key Laboratory of Physico-Inorganic Chemistry, School of Chemistry and Materials Science, Northwest University, Xi’an, Shanxi 710069 (China); Wang, Yingsai [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry (Ministry of Education), Shanxi Key Laboratory of Physico-Inorganic Chemistry, School of Chemistry and Materials Science, Northwest University, Xi’an, Shanxi 710069 (China)

    2013-05-15T23:59:59.000Z

    Graphical abstract: The TEM images reveal clearly the core–shell structures because of the obvious difference in contrast between the central part and the fringe, which indicates the Gd{sub 2}O{sub 3}:Eu{sup 3+} layer had successfully deposited on the magnetite Fe{sub 3}O{sub 4} cores. And Fe{sub 3}O{sub 4}@Gd{sub 2}O{sub 3}:Eu{sup 3+} nanoparticles keep the spherical morphology, non-aggregation and rough surface. The images reveal that the average diameters of the Fe{sub 3}O{sub 4} and Fe{sub 3}O{sub 4}@Gd{sub 2}O{sub 3}:Eu{sup 3+} nanoparticles are ?200 nm and ?250 nm, respectively. The thickness of Gd{sub 2}O{sub 3}:Eu{sup 3+} layer is ?25 nm. Highlights: ? Fe{sub 3}O{sub 4}@Gd{sub 2}O{sub 3}:Eu{sup 3+} nanocomposites were synthesized by homogeneous precipitation method. ? Formation of core–shell nanostructure revealed by transmission electron microscopy. ? Fe{sub 3}O{sub 4}@Gd{sub 2}O{sub 3}:Eu{sup 3+} nanocomposites showed magnetic behavior and fluorescence properties. ? Possible applications including bioseparation, drug delivery system, bio-labels, etc. - Abstract: An easy homogeneous precipitation method was developed for the synthesis of bifunctional magnetic-fluorescent nanocomposites with Fe{sub 3}O{sub 4} nanoparticles as the core and europium-doped gadolinium oxide (Gd{sub 2}O{sub 3}:Eu{sup 3+}) as the shell. The nanocomposites showed both strong magnetic behavior and unique Eu-related fluorescence properties with a high emission intensity, which may lead to development of nanocomposites with great potential for applications in drug targeting, biosensors, and diagnostic analysis.

  14. Crystal structure and electric properties of the organic–inorganic hybrid: [(CH{sub 2}){sub 6}(NH{sub 3}){sub 2}]ZnCl{sub 4}

    SciTech Connect (OSTI)

    Mostafa, M.F., E-mail: Mohga40@Yahoo.com; El-khiyami, S.S.

    2014-01-15T23:59:59.000Z

    The new organic-inorganic hybrid [(CH{sub 2}){sub 6}(NH{sub 3}){sub 2}]ZnCl{sub 4}, M{sub r}=325.406 crystallized in a triclinic, P1Ż, a=7.2816 (5) Ĺ, b=10.0996 (7) Ĺ, c=10.0972 (7) Ĺ, ?=74.368 (4)°, ?=88.046 (4)°, ?=85.974 (3)°, V=713.24 (9) Ĺ{sup 3} and Z=2, D{sub x}=1.486 Mg m{sup ?3}. Differential thermal scanning and x-ray powder diffraction, permittivity and ac conductivity indicated three phase transitions. Conduction takes place via correlated barrier hopping. - Graphical abstract: Display Omitted.

  15. B{sub s{yields}}f{sub 0}(980) form factors and B{sub s} decays into f{sub 0}(980)

    SciTech Connect (OSTI)

    Colangelo, Pietro; De Fazio, Fulvia; Wang Wei [Istituto Nazionale di Fisica Nucleare, Sezione di Bari, Via Orabona 4, I-70126 Bari (Italy)

    2010-04-01T23:59:59.000Z

    We compute the B{sub s{yields}}f{sub 0}(980) transition form factors using light-cone QCD sum rules at leading order in the strong coupling constant, and also including an estimate of next-to-leading order corrections. We use the results to predict the branching fractions of the rare decay modes B{sub s{yields}}f{sub 0}l{sup +}l{sup -} and B{sub s{yields}}f{sub 0{nu}{nu}}, which turn out to be O(10{sup -7}) (B{sub s{yields}}f{sub 0}(980)l{sup +}l{sup -}, with l=e, {mu}), O(10{sup -8}) (B{sub s{yields}}f{sub 0}(980){tau}{sup +{tau}-}) and O(10{sup -6}) (B{sub s{yields}}f{sub 0}(980){nu}{nu}). We also predict the branching ratio of B{sub s{yields}}J/{psi}f{sub 0}(980) decay under the factorization assumption, and discuss the role of this channel for the determination of the B{sub s} mixing phase compared to the golden mode B{sub s{yields}}J/{psi}{phi}. As a last application, we consider D{sub s{yields}}f{sub 0} form factors, providing a determination of the branching ratio of D{sub s{yields}}f{sub 0}e{sup +{nu}}{sub e}.

  16. Structural investigation of the new Ca{sub 3}Ln{sub 2}Ge{sub 3}O{sub 12} (Ln=Pr, Nd, Sm, Gd and Dy) compounds and luminescence spectroscopy of Ca{sub 3}Gd{sub 2}Ge{sub 3}O{sub 12} doped with the Eu{sup 3+} ion

    SciTech Connect (OSTI)

    Piccinelli, F., E-mail: fabio.piccinelli@univr.it [Luminescent Materials Laboratory, DB, Univ. Verona, and INSTM, UdR Verona, Strada Le Grazie 15, 37134 Verona (Italy); Lausi, A. [Elettra-Sincrotrone Trieste S.C.p.A., Strada Statale 14-km 163,5 in AREA Science Park, 34149 Basovizza, Trieste (Italy); Bettinelli, M. [Luminescent Materials Laboratory, DB, Univ. Verona, and INSTM, UdR Verona, Strada Le Grazie 15, 37134 Verona (Italy)

    2013-09-15T23:59:59.000Z

    The crystal structures of new rare earth-based germanate compounds (Ca{sub 3}Pr{sub 2}Ge{sub 3}O{sub 12}, Ca{sub 3}Nd{sub 2}Ge{sub 3}O{sub 12}, Ca{sub 3}Sm{sub 2}Ge{sub 3}O{sub 12}, Ca{sub 3}Gd{sub 2}Ge{sub 3}O{sub 12} and Ca{sub 3}Dy{sub 2}Ge{sub 3}O{sub 12}) have been determined by Rietveld refinement calculations on the collected synchrotron X-ray diffraction powder patterns. A different distribution of the rare earth ions in the three available crystal sites was observed, as the main structural feature. The reasons of the instability of the silico-carnotite structure for lanthanide ions out of the range Pr–Dy have been proposed. Finally, the luminescence spectroscopy of the Eu{sup 3+} dopant ion in Ca{sub 3}Gd{sub 2}Ge{sub 3}O{sub 12} was presented and analyzed taking into account the observed structural characteristics. The Eu{sup 3+} luminescence spectroscopy was also compared with the one of Eu{sup 3+} doped Ca{sub 3}Gd{sub 2}Si{sub 3}O{sub 12} and Ca{sub 3}Lu{sub 2}Si{sub 3}O{sub 12} isostructural materials. - Graphical abstract: The structural study on Ca{sub 3}Ln{sub 2}Ge{sub 3}O{sub 12} exploiting synchrotron X-ray diffraction, allows us to determine the detailed geometry of the coordination polyhedra of the metals and their distribution in the crystal sites. These features are, in the case of Ca{sub 3}Gd{sub 2}Ge{sub 3}O{sub 12} host, closely related to the luminescence spectroscopy of the Eu{sup 3+} dopant ion. Display Omitted - Highlights: • The structure of the Ca{sub 3}Ln{sub 2}Ge{sub 3}O{sub 12} (Ln=Pr, Nd, Sm, Gd and Dy) was determined. • Different distribution of Ln{sup 3+} ions on the three available crystal sites was observed. • A detailed structural study focused on the metal coordination polyhedra was performed. • The instability of the silico-carnotite structure out of the range Pr–Dy was discussed. • The luminescence of the dopant Eu{sup 3+} ion in Ca{sub 3}Gd{sub 2}Ge{sub 3}O{sub 12} was presented and analyzed.

  17. Measurement of ?<sub>cj> decaying into pn??? and pn?????

    SciTech Connect (OSTI)

    Ablikim, M.; Achasov, M. N.; Albayrak, O.; Ambrose, D. J.; An, F. F.; An, Q.; Bai, J. Z.; Ban, Y.; Becker, J.; Bennett, J. V.; Bertani, M.; Bian, J. M.; Boger, E.; Bondarenko, O.; Boyko, I.; Briere, R. A.; Bytev, V.; Cai, X.; Cakir, O.; Calcaterra, A.; Cao, G. F.; Cetin, S. A.; Chang, J. F.; Chelkov, G.; Chen, G.; Chen, H. S.; Chen, J. C.; Chen, M. L.; Chen, S. J.; Chen, X.; Chen, Y. B.; Cheng, H. P.; Chu, Y. P.; Cronin-Hennessy, D.; Dai, H. L.; Dai, J. P.; Dedovich, D.; Deng, Z. Y.; Denig, A.; Denysenko, I.; Destefanis, M.; Ding, W. M.; Ding, Y.; Dong, L. Y.; Dong, M. Y.; Du, S. X.; Fang, J.; Fang, S. S.; Fava, L.; Feldbauer, F.; Feng, C. Q.; Ferroli, R. B.; Fu, C. D.; Fu, J. L.; Gao, Y.; Geng, C.; Goetzen, K.; Gong, W. X.; Gradl, W.; Greco, M.; Gu, M. H.; Gu, Y. T.; Guan, Y. H.; Guo, A. Q.; Guo, L. B.; Guo, Y. P.; Han, Y. L.; Harris, F. A.; He, K. L.; He, M.; He, Z. Y.; Held, T.; Heng, Y. K.; Hou, Z. L.; Hu, H. M.; Hu, T.; Huang, G. M.; Huang, G. S.; Huang, J. S.; Huang, X. T.; Huang, Y. P.; Hussain, T.; Ji, C. S.; Ji, Q.; Ji, Q. P.; Ji, X. B.; Ji, X. L.; Jiang, L. L.; Jiang, X. S.; Jiao, J. B.; Jiao, Z.; Jin, D. P.; Jin, S.; Jing, F. F.; Kalantar-Nayestanaki, N.; Kavatsyuk, M.; Kuehn, W.; Lai, W.; Lange, J. S.; Li, C. H.; Li, Cheng; Li, Cui; Li, D. M.; Li, F.; Li, G.; Li, H. B.; Li, J. C.; Li, K.; Li, Lei; Li, Q. J.; Li, S. L.; Li, W. D.; Li, W. G.; Li, X. L.; Li, X. N.; Li, X. Q.; Li, X. R.; Li, Z. B.; Liang, H.; Liang, Y. F.; Liang, Y. T.; Liao, G. R.; Liao, X. T.; Liu, B. J.; Liu, C. L.; Liu, C. X.; Liu, C. Y.; Liu, F. H.; Liu, Fang; Liu, Feng; Liu, H.; Liu, H. H.; Liu, H. M.; Liu, H. W.; Liu, J. P.; Liu, K. Y.; Liu, Kai; Liu, P. L.; Liu, Q.; Liu, S. B.; Liu, X.; Liu, Y. B.; Liu, Z. A.; Liu, Zhiqiang; Liu, Zhiqing; Loehner, H.; Lu, G. R.; Lu, H. J.; Lu, J. G.; Lu, Q. W.; Lu, X. R.; Lu, Y. P.; Luo, C. L.; Luo, M. X.; Luo, T.; Luo, X. L.; Lv, M.; Ma, C. L.; Ma, F. C.; Ma, H. L.; Ma, Q. M.; Ma, S.; Ma, T.; Ma, X. Y.; Ma, Y.; Maas, F. E.; Maggiora, M.; Malik, Q. A.; Mao, Y. J.; Mao, Z. P.; Messchendorp, J. G.; Min, J.; Min, T. J.; Mitchell, R. E.; Mo, X. H.; Morales Morales, C.; Motzko, C.; Muchnoi, N. Yu.; Muramatsu, H.; Nefedov, Y.; Nicholson, C.; Nikolaev, I. B.; Ning, Z.; Olsen, S. L.; Ouyang, Q.; Pacetti, S.; Park, J. W.; Pelizaeus, M.; Peng, H. P.; Peters, K.; Ping, J. L.; Ping, R. G.; Poling, R.; Prencipe, E.; Qi, M.; Qian, S.; Qiao, C. F.; Qin, X. S.; Qin, Y.; Qin, Z. H.; Qiu, J. F.; Rashid, K. H.; Rong, G.; Ruan, X. D.; Sarantsev, A.; Schaefer, B. D.; Schulze, J.; Shao, M.; Shen, C. P.; Shen, X. Y.; Sheng, H. Y.; Shepherd, M. R.; Song, X. Y.; Spataro, S.; Spruck, B.; Sun, D. H.; Sun, G. X.; Sun, J. F.; Sun, S. S.; Sun, Y. J.; Sun, Y. Z.; Sun, Z. J.; Sun, Z. T.; Tang, C. J.; Tang, X.; Tapan, I.; Thorndike, E. H.; Toth, D.; Ullrich, M.; Varner, G. S.; Wang, B.; Wang, B. Q.; Wang, D.; Wang, D. Y.; Wang, K.; Wang, L. L.; Wang, L. S.; Wang, M.; Wang, P.; Wang, P. L.; Wang, Q.; Wang, Q. J.; Wang, S. G.; Wang, X. L.; Wang, Y. D.; Wang, Y. F.; Wang, Y. Q.; Wang, Z.; Wang, Z. G.; Wang, Z. Y.; Wei, D. H.; Wei, J. B.; Weidenkaff, P.; Wen, Q. G.; Wen, S. P.; Werner, M.; Wiedner, U.; Wu, L. H.; Wu, N.; Wu, S. X.; Wu, W.; Wu, Z.; Xia, L. G.; Xiao, Z. J.; Xie, Y. G.; Xiu, Q. L.; Xu, G. F.; Xu, G. M.; Xu, H.; Xu, Q. J.; Xu, X. P.; Xu, Z. R.; Xue, F.; Xue, Z.; Yan, L.; Yan, W. B.; Yan, Y. H.; Yang, H. X.; Yang, Y.; Yang, Y. X.; Ye, H.; Ye, M.; Ye, M. H.; Yu, B. X.; Yu, C. X.; Yu, H. W.; Yu, J. S.; Yu, S. P.; Yuan, C. Z.; Yuan, Y.; Zafar, A. A.; Zallo, A.; Zeng, Y.; Zhang, B. X.; Zhang, B. Y.; Zhang, C.; Zhang, C. C.; Zhang, D. H.; Zhang, H. H.; Zhang, H. Y.; Zhang, J. Q.; Zhang, J. W.; Zhang, J. Y.; Zhang, J. Z.; Zhang, S. H.; Zhang, X. J.; Zhang, X. Y.; Zhang, Y.; Zhang, Y. H.; Zhang, Y. S.; Zhang, Z. P.; Zhang, Z. Y.; Zhao, G.; Zhao, H. S.; Zhao, J. W.; Zhao, K. X.; Zhao, Lei; Zhao, Ling; Zhao, M. G.; Zhao, Q.; Zhao, Q. Z.; Zhao, S. J.; Zhao, T. C.; Zhao, X. H.; Zhao, Y. B.; Zhao, Z. G.; Zhemchugov, A.; Zheng, B.; Zheng, J. P.; Zheng, Y. H.; Zhong, B.; Zhong, J.; Zhong, Z.; Zhou, L.; Zhou, X. K.; Zhou, X. R.; Zhu, C.; Zhu, K.; Zhu, K. J.; Zhu, S. H.; Zhu, X. L.; Zhu, Y. C.; Zhu, Y. M.; Zhu, Y. S.; Zhu, Z. A.; Zhuang, J.; Zou, B. S.; Zou, J. H.

    2012-09-01T23:59:59.000Z

    Using a data sample of 1.06×10? ?' events collected with the BESIII detector in 2009, the branching fractions of ?<sub>cJ>?pn??? and ?<sub>cJ>?pn????? (J=0, 1, 2) are measured. (Throughout the text, inclusion of charge conjugate modes is implied if not stated otherwise.) The results for ?<sub>c?>?pn??? and ?<sub>c˛>?pn??? are consistent with, but much more precise than, those of previous measurements. The decays of ?<sub>c1sub>?pn??? and ?<sub>cJ>?pn????? are observed for the first time.

  18. New ternary phosphides and arsenides. Syntheses, crystal structures, physical properties of Eu{sub 2}ZnP{sub 2}, Eu{sub 2}Zn{sub 2}P{sub 3} and Eu{sub 2}Cd{sub 2}As{sub 3}

    SciTech Connect (OSTI)

    Wang, Jian [State Key Laboratory of Crystal Materials, Institute of Crystal Materials, Shandong University, Jinan, Shandong 250100 (China); Xia, Sheng-Qing, E-mail: shqxia@sdu.edu.cn [State Key Laboratory of Crystal Materials, Institute of Crystal Materials, Shandong University, Jinan, Shandong 250100 (China); Tao, Xu-Tang [State Key Laboratory of Crystal Materials, Institute of Crystal Materials, Shandong University, Jinan, Shandong 250100 (China); Schäfer, Marion C. [Department of Chemistry and Biochemistry, University of Delaware, Newark, DE 19716 (United States); Bobev, Svilen, E-mail: bobev@udel.edu [Department of Chemistry and Biochemistry, University of Delaware, Newark, DE 19716 (United States)

    2013-09-15T23:59:59.000Z

    Three new europium pnictides Eu{sub 2}ZnP{sub 2}, Eu{sub 2}Zn{sub 2}P{sub 3} and Eu{sub 2}Cd{sub 2}As{sub 3} have been synthesized and their structures were determined by single-crystal X-ray diffraction. Eu{sub 2}ZnP{sub 2} is isotypic with Yb{sub 2}CdSb{sub 2} (Cmc2{sub 1} (No. 36); cell parameters a=4.1777(7) Ĺ, b=15.925(3) Ĺ, c=7.3008(12) Ĺ), while the latter two compounds crystallize with the Ba{sub 2}Cd{sub 2}Sb{sub 3} structure type (C2/m (No. 12); cell parameters a=15.653(5)/16.402(1) Ĺ, b=4.127(1)/4.445(4) Ĺ, c=11.552(4)/12.311(1) Ĺ and ?=126.647(4)/126.515(7)° for Eu{sub 2}Zn{sub 2}P{sub 3} and Eu{sub 2}Cd{sub 2}As{sub 3}, respectively). Magnetic susceptibility measurements in the interval 5–300 K confirm paramagnetic behavior and effective magnetic moments characteristic of Eu{sup 2+} ([Xe] 4f{sup 7}) ground states. Temperature-dependent electrical conductivity measurements also prove that Eu{sub 2}Cd{sub 2}As{sub 3} is a semiconducting compound with a narrow band gap of 0.059 eV below 100 K. According to TG/DSC analyses, Eu{sub 2}Cd{sub 2}As{sub 3} starts to decompose at about 950 K. - Graphical abstract: A polyhedral view of the crystal structure of new pnictides Eu{sub 2}T{sub 2}Pn{sub 3} (T=Zn or Cd; Pn=P or As). Display Omitted - Highlights: • Three new ternary pnictide Zintl compounds, Eu{sub 2}ZnP{sub 2}, Eu{sub 2}Zn{sub 2}P{sub 3} and Eu{sub 2}Cd{sub 2}As{sub 3}, have been synthesized and characterized. • The europium cations are divalent and ferromagnetically coupled in both Eu{sub 2}Zn{sub 2}P{sub 3} and Eu{sub 2}Cd{sub 2}As{sub 3}. • Eu{sub 2}Cd{sub 2}As{sub 3} has a very small band gap of 0.06 eV and starts to decompose over 950 K.

  19. Phase diagram and magnetocaloric effects in Ni{sub 50}Mn{sub 35}(In{sub 1?x}Cr{sub x}){sub 15} and (Mn{sub 1?x}Cr{sub x})NiGe{sub 1.05} alloys

    SciTech Connect (OSTI)

    Quetz, Abdiel, E-mail: anorve2002@yahoo.com; Muchharla, Baleeswaraiah; Dubenko, Igor; Talapatra, Saikat; Ali, Naushad [Southern Illinois University, Carbondale, Illinois 62901 (United States); Samanta, Tapas; Stadler, Shane [Department of Physics and Astronomy, Louisiana State University, Baton Rouge, Louisiana 70803 (United States)

    2014-05-07T23:59:59.000Z

    The magnetocaloric and thermomagnetic properties of Ni{sub 50}Mn{sub 35}(In{sub 1?x}Cr{sub x}){sub 15} and (Mn{sub 1?x}Cr{sub x}) NiGe{sub 1.05} systems for 0???x???0.105 and 0???x???0.1, respectively, have been studied by x-ray diffraction, differential scanning calorimetry, and magnetization measurements. Partial substitution of Cr for Mn in (Mn{sub 1?x}Cr{sub x})NiGe{sub 1.05} results in a first order magnetostructural transition from a hexagonal paramagnetic to an orthorhombic paramagnetic phase near T{sub M}???380?K (for x?=?0.07). Partial substitution of Cr for In in Ni{sub 50}Mn{sub 35}(In{sub 1?x}Cr{sub x}){sub 15} shifts the magnetostructural transition to a higher temperature (T?=?T{sub M}???450?K) for x?=?0.1. Large magnetic entropy changes of ?S?=??12 (J/(kgK)) and ?S?=??11 (J/(kgK)), both for a magnetic field change of 5?T, were observed in the vicinity of T{sub M} for (Mn{sub 1?x}Cr{sub x})NiGe{sub 1.05} and Ni{sub 50}Mn{sub 35}(In{sub 1?x}Cr{sub x}){sub 15}, respectively.

  20. Volatility return intervals analysis of the Japanese market

    E-Print Network [OSTI]

    Jung, Woo-Sung; Havlin, Shlomo; Kaizoji, Taisei; Moon, Hie-Tae; Stanley, H Eugene

    2007-01-01T23:59:59.000Z

    We investigate scaling and memory effects in return intervals between price volatilities above a certain threshold $q$ for the Japanese stock market using daily and intraday data sets. We find that the distribution of return intervals can be approximated by a scaling function that depends only on the ratio between the return interval $\\tau$ and its mean $$. We also find memory effects such that a large (or small) return interval follows a large (or small) interval by investigating the conditional distribution and mean return interval. The results are similar to previous studies of other markets and indicate that similar statistical features appear in different financial markets. We also compare our results between the period before and after the big crash at the end of 1989. We find that scaling and memory effects of the return intervals show similar features although the statistical properties of the returns are different.

  1. In-Situ Contained And Of Volatile Soil Contaminants

    DOE Patents [OSTI]

    Varvel, Mark Darrell (Idaho Falls, ID)

    2005-12-27T23:59:59.000Z

    The invention relates to a novel approach to containing and removing toxic waste from a subsurface environment. More specifically the present invention relates to a system for containing and removing volatile toxic chemicals from a subsurface environment using differences in surface and subsurface pressures. The present embodiment generally comprises a deep well, a horizontal tube, at least one injection well, at least one extraction well and a means for containing the waste within the waste zone (in-situ barrier). During operation the deep well air at the bottom of well (which is at a high pressure relative to the land surface as well as relative to the air in the contaminated soil) flows upward through the deep well (or deep well tube). This stream of deep well air is directed into the horizontal tube, down through the injection tube(s) (injection well(s)) and into the contaminate plume where it enhances volatization and/or removal of the contaminants.

  2. In-Situ Containment and Extraction of Volatile Soil Contaminants

    DOE Patents [OSTI]

    Varvel, Mark Darrell

    2005-12-27T23:59:59.000Z

    The invention relates to a novel approach to containing and removing toxic waste from a subsurface environment. More specifically the present invention relates to a system for containing and removing volatile toxic chemicals from a subsurface environment using differences in surface and subsurface pressures. The present embodiment generally comprises a deep well, a horizontal tube, at least one injection well, at least one extraction well and a means for containing the waste within the waste zone (in-situ barrier). During operation the deep well air at the bottom of well (which is at a high pressure relative to the land surface as well as relative to the air in the contaminated soil) flows upward through the deep well (or deep well tube). This stream of deep well air is directed into the horizontal tube, down through the injection tube(s) (injection well(s)) and into the contaminate plume where it enhances volatization and/or removal of the contaminants.

  3. Apparatus for sensing volatile organic chemicals in fluids

    DOE Patents [OSTI]

    Hughes, Robert C.; Manginell, Ronald P.; Jenkins, Mark W.; Kottenstette, Richard; Patel, Sanjay V.

    2005-06-07T23:59:59.000Z

    A chemical-sensing apparatus is formed from the combination of a chemical preconcentrator which sorbs and concentrates particular volatile organic chemicals (VOCs) and one or more chemiresistors that sense the VOCs after the preconcentrator has been triggered to release them in concentrated form. Use of the preconcentrator and chemiresistor(s) in combination allows the VOCs to be detected at lower concentration than would be possible using the chemiresistor(s) alone and further allows measurements to be made in a variety of fluids, including liquids (e.g. groundwater). Additionally, the apparatus provides a new mode of operation for sensing VOCs based on the measurement of decay time constants, and a method for background correction to improve measurement precision.

  4. Detection of volatile organic compounds using surface enhanced Raman scattering

    SciTech Connect (OSTI)

    Chang, A S; Maiti, A; Ileri, N; Bora, M; Larson, C C; Britten, J A; Bond, T C

    2012-03-22T23:59:59.000Z

    The authors present the detection of volatile organic compounds directly in their vapor phase by surface-enhanced Raman scattering (SERS) substrates based on lithographically-defined two-dimensional rectangular array of nanopillars. The type of nanopillars is known as the tapered pillars. For the tapered pillars, SERS enhancement arises from the nanofocusing effect due to the sharp tip on top. SERS experiments were carried out on these substrates using various concentrations of toluene vapor. The results show that SERS signal from a toluene vapor concentration of ppm level can be achieved, and the toluene vapor can be detected within minutes of exposing the SERS substrate to the vapor. A simple adsorption model is developed which gives results matching the experimental data. The results also show promising potential for the use of these substrates in environmental monitoring of gases and vapors.

  5. Bayesian analysis of GARCH and stochastic volatility: modeling leverage, jumps and heavy-tails for financial time series

    E-Print Network [OSTI]

    Wolpert, Robert L

    Bayesian analysis of GARCH and stochastic volatility: modeling leverage, jumps and heavy for two broad major classes of varying volatility model, GARCH and stochastic volatility (SV) models-t errors yields the best performance among the competing models on the return data. Key words: GARCH, Heavy

  6. Estimation of Volatility The values of the parameters r, t, St, T, and K used to price a call op-

    E-Print Network [OSTI]

    Privault, Nicolas

    is the price of light sweet crude oil futures traded on the New York Mercantile Exchange (NYMEX), basedChapter 7 Estimation of Volatility The values of the parameters r, t, St, T, and K used to price the historical, implied, and local volatility models, and refer to [26] for stochastic volatility models. 7

  7. A Big Data Approach to Analyzing Market Volatility

    SciTech Connect (OSTI)

    Wu, Kesheng; Bethel, E. Wes; Gu, Ming; Leinweber, David; Ruebel, Oliver

    2013-06-05T23:59:59.000Z

    Understanding the microstructure of the financial market requires the processing of a vast amount of data related to individual trades, and sometimes even multiple levels of quotes. Analyzing such a large volume of data requires tremendous computing power that is not easily available to financial academics and regulators. Fortunately, public funded High Performance Computing (HPC) power is widely available at the National Laboratories in the US. In this paper we demonstrate that the HPC resource and the techniques for data-intensive sciences can be used to greatly accelerate the computation of an early warning indicator called Volume-synchronized Probability of Informed trading (VPIN). The test data used in this study contains five and a half year?s worth of trading data for about 100 most liquid futures contracts, includes about 3 billion trades, and takes 140GB as text files. By using (1) a more efficient file format for storing the trading records, (2) more effective data structures and algorithms, and (3) parallelizing the computations, we are able to explore 16,000 different ways of computing VPIN in less than 20 hours on a 32-core IBM DataPlex machine. Our test demonstrates that a modest computer is sufficient to monitor a vast number of trading activities in real-time ? an ability that could be valuable to regulators. Our test results also confirm that VPIN is a strong predictor of liquidity-induced volatility. With appropriate parameter choices, the false positive rates are about 7percent averaged over all the futures contracts in the test data set. More specifically, when VPIN values rise above a threshold (CDF > 0.99), the volatility in the subsequent time windows is higher than the average in 93percent of the cases.

  8. Fluorination mechanisms of Al{sub 2}O{sub 3} and Y{sub 2}O{sub 3} surfaces irradiated by high-density CF{sub 4}/O{sub 2} and SF{sub 6}/O{sub 2} plasmas

    SciTech Connect (OSTI)

    Miwa, Kazuhiro; Takada, Noriharu; Sasaki, Koichi [Department of Electrical Engineering and Computer Science, Nagoya University, Nagoya, 464-8603 (Japan); Plasma Nanotechnology Research Center, Nagoya University, Nagoya 464-8603 (Japan)

    2009-07-15T23:59:59.000Z

    Fluorination of Al{sub 2}O{sub 3} and Y{sub 2}O{sub 3} surfaces was investigated by irradiating high-density, helicon-wave CF{sub 4}/O{sub 2} and SF{sub 6}/O{sub 2} plasmas. The Al{sub 2}O{sub 3} surface bombarded by high-flux positive ions of the CF{sub 4}/O{sub 2} plasma was fluorinated significantly. On contrast, Y{sub 2}O{sub 3} was less fluorinated than Al{sub 2}O{sub 3} when they were irradiated by the same CF{sub 4}/O{sub 2} plasma. The analysis of the Al{sub 2}O{sub 3} surface irradiated by the CF{sub 4}/O{sub 2} plasma suggests that the fluorination is triggered by reactions between fluorocarbon deposit and Al-O bonding with the assistance of ion bombardment. On the other hand, irradiation of the SF{sub 6}/O{sub 2} plasma induced less significant fluorination on the Al{sub 2}O{sub 3} surface. This suggests a lower reaction probability between sulfur fluoride deposit and Al-O bonding. The difference in the fluorination of the Al{sub 2}O{sub 3} and Y{sub 2}O{sub 3} surfaces induced by the irradiations of the CF{sub 4}/O{sub 2} and SF{sub 6}/O{sub 2} plasmas is understood by comparing the bonding energies of C-O, S-O, Al-O, and Y-O.

  9. Photosensitivity of pulsed laser deposited Ge{sub 20}As{sub 20}Se{sub 60} and Ge{sub 10}As{sub 30}Se{sub 60} amorphous thin films

    SciTech Connect (OSTI)

    Hawlová, P.; Olivier, M.; Verger, F. [Department of Graphic Arts and Photophysics, Faculty of Chemical Technology, University of Pardubice, Studentská 573, 53210 Pardubice (Czech Republic); Nazabal, V. [Chemical Sciences Institute of Rennes (ISCR), Glasses and Ceramics Team, UMR-CNRS 6226, University of Rennes 1, 35042 Rennes Cedex (France); Department of Graphic Arts and Photophysics, Faculty of Chemical Technology, University of Pardubice, Studentská 573, 53210 Pardubice (Czech Republic); N?mec, P., E-mail: petr.nemec@upce.cz [Department of Graphic Arts and Photophysics, Faculty of Chemical Technology, University of Pardubice, Studentská 573, 53210 Pardubice (Czech Republic)

    2013-10-15T23:59:59.000Z

    Graphical abstract: - Highlights: • Amorphous Ge{sub 20}As{sub 20}Se{sub 60}/Ge{sub 10}As{sub 30}Se{sub 60} films are fabricated by pulsed laser deposition. • Photosensitivity of the layers is studied by employing spectroscopic ellipsometry. • As-deposited/relaxed thin films were irradiated by 593, 635, and 660 nm lasers. • Ge{sub 20}As{sub 20}Se{sub 60} layers present almost zero photorefraction in relaxed state. - Abstract: Amorphous Ge{sub 20}As{sub 20}Se{sub 60} and Ge{sub 10}As{sub 30}Se{sub 60} thin films are fabricated by pulsed laser deposition. Prepared films are characterized in terms of their morphology, chemical composition, and optical properties. Special attention is given to the photosensitivity of the layers, which was studied by spectroscopic ellipsometry with as-deposited, annealed and exposed films by three different laser sources (593, 635, and 660 nm). The results show better photostability for Ge{sub 20}As{sub 20}Se{sub 60} thin films, where photoinduced change of optical band gap was found to be equal or less than 0.04 eV and these layers present almost zero photorefraction.

  10. Dy-V magnetic interaction and local structure bias on the complex spin and orbital ordering in Dy<sub>1?xsub>TbxVO>3sub> (x=0 and 0.2)

    SciTech Connect (OSTI)

    Yan, J.-Q.; Cao, H. B.; McGuire, M. A.; Ren, Y.; Sales, B. C.; Mandrus, D. G.

    2013-06-01T23:59:59.000Z

    The spin and orbital ordering in Dy<sub>1?xsub>TbxVO>3sub> (x=0 and 0.2) was studied by measuring x-ray powder diffraction, magnetization, specific heat, and neutron single-crystal diffraction. The results show that G-OO/C-AF and C-OO/G-AF phases coexist in Dy<sub>0.8sub>Tb>0.20sub>VO>3sub> in the temperature range 2–60 K, and the volume fraction of each phase is temperature and field dependent. The ordering of Dy moments at T*?=?12 K induces a transition from G-OO/C-AF to a C-OO/G-AF phase. Magnetic fields suppress the long-range order of Dy moments and thus the C-OO/G-AF phase below T*. The polarized moments induced at the Dy sublattice by external magnetic fields couple to the V 3d moments, and this coupling favors the G-OO/C-AF state. Also discussed is the effect of the Dy-V magnetic interaction and local structure distortion on the spin and orbital ordering in Dy<sub>1?xsub>TbxVO>3sub>.

  11. A novel organic–inorganic hybrid with Anderson type polyanions as building blocks: (C{sub 6}H{sub 10}N{sub 3}O{sub 2}){sub 2}Na(H{sub 2}O){sub 2}[Al(OH){sub 6}Mo{sub 6}O{sub 18}]·6H{sub 2}O

    SciTech Connect (OSTI)

    Thabet, Safa, E-mail: safathabet@hotmail.fr [Laboratoire de matériaux et cristallochimie, Département de chimie, Institut Supérieur des Sciences Appliquées et Technologier, Avenue El Mourouj, 5111 Mahdia (Tunisia)] [Laboratoire de matériaux et cristallochimie, Département de chimie, Institut Supérieur des Sciences Appliquées et Technologier, Avenue El Mourouj, 5111 Mahdia (Tunisia); Ayed, Brahim, E-mail: brahimayed@yahoo.fr [Laboratoire de matériaux et cristallochimie, Département de chimie, Institut Supérieur des Sciences Appliquées et Technologier, Avenue El Mourouj, 5111 Mahdia (Tunisia)] [Laboratoire de matériaux et cristallochimie, Département de chimie, Institut Supérieur des Sciences Appliquées et Technologier, Avenue El Mourouj, 5111 Mahdia (Tunisia); Haddad, Amor [Laboratoire de matériaux et cristallochimie, Département de chimie, Institut Supérieur des Sciences Appliquées et Technologier, Avenue El Mourouj, 5111 Mahdia (Tunisia)] [Laboratoire de matériaux et cristallochimie, Département de chimie, Institut Supérieur des Sciences Appliquées et Technologier, Avenue El Mourouj, 5111 Mahdia (Tunisia)

    2012-11-15T23:59:59.000Z

    Graphical abstract: Display Omitted Highlights: ? Synthesis of a novel inorganic–organic hybrid compound based on Anderson polyoxomolybdates. ? Characterization by X-ray diffraction, IR and UV–Vis spectroscopies of the new compound. ? Potential applications in catalysis, biochemical analysis and electrical conductivity of the organic–inorganic compound. -- Abstract: A new organic–inorganic hybrid compound based on Anderson polyoxomolybdates, (C{sub 6}H{sub 10}N{sub 3}O{sub 2}){sub 2}Na(H{sub 2}O){sub 2}[Al(OH){sub 6}Mo{sub 6}O{sub 18}]·6H{sub 2}O (1) have been isolated by the conventional solution method and characterized by single-crystal X-ray diffraction, infrared, ultraviolet spectroscopy and Thermogravimetric Analysis (TGA). This compound crystallized in the triclinic system, space group P?1, with a = 94.635(1) ?, b = 10.958(1) ?, c = 11.602(1) ?, ? = 67.525(1)°, ? = 71.049(1)°, ? = 70.124(1)° and Z = 1. The crystal structures of the compounds exhibit three-dimensional supramolecular assembly based on the extensive hydrogen bonding interactions between organic cations, sodium cations, water molecules and Anderson polyoxoanions. The infrared spectrum fully confirms the X-ray crystal structure and the UV spectrum of the title compound exhibits an absorption peak at 210 nm.

  12. High thermal stability of piezoelectric properties in (Na{sub 0.5}Bi{sub 0.5}TiO{sub 3}){sub x}-(BaTiO{sub 3}){sub y}-(Na{sub 0.5}K{sub 0.5}NbO{sub 3}){sub 1-x-y} ceramics

    SciTech Connect (OSTI)

    Gupta, Shashaank; Priya, Shashank [Bio-Inspired Materials and Devices Laboratory (BMDL), Center for Energy Harvesting Materials and Systems (CEHMS), Virginia Tech, Blacksburg, Virginia 24061 (United States)] [Bio-Inspired Materials and Devices Laboratory (BMDL), Center for Energy Harvesting Materials and Systems (CEHMS), Virginia Tech, Blacksburg, Virginia 24061 (United States)

    2013-01-07T23:59:59.000Z

    We report the piezoelectric and ferroelectric properties of (Na{sub 0.5}Bi{sub 0.5}TiO{sub 3}){sub x}-(BaTiO{sub 3}){sub y}-(Na{sub 0.5}K{sub 0.5}NbO{sub 3}){sub 1-x-y} ceramics for Na{sub 0.5}K{sub 0.5}NbO{sub 3} rich end of composition (x, y {<=} 0.04 mol. %). These compositions were found to exhibit significantly improved thermal stability of piezoresponse. Variation of dielectric constant as a function of temperature revealed that orthorhombic-tetragonal (T{sub o-t}) and tetragonal-cubic (T{sub c}) transition temperatures for these compositions were in the vicinity of 0 Degree-Sign C and 330 Degree-Sign C, respectively. Dynamic scaling and temperature dependent X-ray diffraction analysis were conducted. Results are discussed in terms of intrinsic and extrinsic contributions to the piezoelectric response explaining the temperature dependent behavior.

  13. Production of S/sub 2/F/sub 10/ by SF/sub 6/ spark discharges

    SciTech Connect (OSTI)

    Sauers, I.; Votaw, P.C.; Griffin, G.D.

    1988-01-01T23:59:59.000Z

    The highly toxic compound S/sub 2/F/sub 10/ is formed in SF/sub 6/ following spark discharges. When the spark cell is dried, the S/sub 2/F/sub 10/ yield was 6.8 /times/ 10/sup /minus/11/ mol/J at an SF/sub 6/ pressure P = 133 kPa. Moisture appears to suppress the S/sub 2/F/sub 10/ yield, although once formed, the S/sub 2/F/sub 10/ is quite stable with respect to moisture. This could explain the variation in observation from experiment to experiment in the literature. These results also raise important questions as to the influence of drying agents that are used in high-voltage systems on the S/sub 2/F/sub 10/ yield. 13 refs., 2 figs., 1 tab.

  14. Structural, optical and dielectric property of Co doped Bi{sub 2}Fe{sub 4}O{sub 9}

    SciTech Connect (OSTI)

    Swain, Smita, E-mail: singhanil@nitrkl.ac.in; Mohapatra, S. R., E-mail: singhanil@nitrkl.ac.in; Sahoo, B., E-mail: singhanil@nitrkl.ac.in; Singh, A. K., E-mail: singhanil@nitrkl.ac.in [Department of Physics, National Institute of Technology, Rourkela -769008, Odisha (India)

    2014-04-24T23:59:59.000Z

    Multiferroic Bi{sub 2}Fe{sub 4}O{sub 9} and Co doped Bi{sub 2}Fe{sub 4}O{sub 9} are prepared by solid state route reaction method using bismuth oxide(Bi{sub 2}O{sub 3}), iron oxide(Fe{sub 2}O{sub 3}) and cobalt oxide (Co{sub 3}O{sub 4}). Their structural optical and dielectric properties are studied and compared. X-ray diffraction (XRD) results confirm that there is no change in crystal structure due to Co doping. From dielectric constant measurement we conclude that dielectric constant increases due to Co doping. UV-Visible plot shows due to Co doping bang gap energy increases.

  15. Millimeter size single crystals of superconducting YBa[sub 2]Cu[sub 3]O[sub x

    DOE Patents [OSTI]

    Damento, M.A.; Gschneidner, K.A. Jr.

    1989-04-25T23:59:59.000Z

    A method of growing large, up to 1 mm size single crystals of superconducting YBa[sub 2]Cu[sub 3]O[sub x], wherein x equals from 6.5 to 7.2 is disclosed.

  16. Interaction of Ce{sub 1?x}Er{sub x}O{sub 2?y} nanoparticles with SiO{sub 2}-effect of temperature and atmosphere

    SciTech Connect (OSTI)

    Kepinski, L., E-mail: L.Kepinski@int.pan.wroc.pl; Krajczyk, L.; Mista, W.

    2014-01-15T23:59:59.000Z

    Morphology, microstructure and phase evolution of homogeneous, nanocrystalline Ce{sub 1?x}Er{sub x}O{sub 2?x/2} mixed oxide (x=0.3 and 0.5), prepared by microemulsion method, supported on amorphous SiO{sub 2} was studied in oxidizing and reducing atmosphere by XRD, TEM, SEM-EDS and N{sub 2} adsorption. The system is structurally and chemically stable in the oxidizing atmosphere up to 1000 °C, exhibiting only a small increase of the mean crystallite size of the oxide to ?4 nm. At 1100 °C formation of Er silicate with unusual structure isomorphic with y-Y{sub 2}Si{sub 2}O{sub 7} (yttrialite), stabilized by Ce{sup 4+} ions was observed. In the reducing atmosphere the Ce{sub 1?x}Er{sub x}O{sub 2?x/2} reacted with SiO{sub 2} already at 900 °C, due to high affinity of the reduced Ce{sup 3+} to form a silicate phase. At higher temperature the silicate crystallized into the tetragonal, low temperature A-(Ce{sub 1?x}Er{sub x}){sub 2}Si{sub 2}O{sub 7} polymorph. Such systems, containing nanocrystalline silicate particles with Er{sup 3+} ions placed in well defined sites embedded in silica matrix, may be interesting as highly efficient active components of optical waveguides amplifiers integrated with Si microelectronics. The nanocrystalline Ce–Er–O/SiO{sub 2} system prepared by the impregnation of the silica with the aqueous solution of nitrates appeared to be chemically inhomogeneous and less stable in both oxidising and reducing atmosphere. - Graphical abstract: Structure evolution of Ce{sub 0.5}Er{sub 0.5}O{sub 1.75} in air and in H{sub 2}. Display Omitted - Highlights: • Homogeneous 3 nm Ce{sub 1?x}Er{sub x}O{sub 2?y} particles were prepared and uniformly dispersed on SiO{sub 2}. • Er diffusion to SiO{sub 2} determines the stability of the mixed oxide in air to ?1000 °C. • Spreading of Ce{sub 1?x}Er{sub x}O{sub 2?y} onto SiO{sub 2} occurs in hydrogen at 900 °C. • Nanocrystalline A-(Ce,Er){sub 2}Si{sub 2}O{sub 7} silicate forms in H{sub 2} at 1100 °C.

  17. Synthesis, crystal structure and magnetic properties of Li{sub 0.44}Eu{sub 3}[B{sub 3}N{sub 6}

    SciTech Connect (OSTI)

    Kokal, I. [Koç University, Rumelifeneri Yolu, Sariyer, Istanbul 34450 (Turkey); Aydemir, U., E-mail: uaydemir@ku.edu.tr [Koç University, Rumelifeneri Yolu, Sariyer, Istanbul 34450 (Turkey); Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Str.40, Dresden 01187 (Germany); Prots, Yu.; Förster, T.; Sichelschmidt, J. [Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Str.40, Dresden 01187 (Germany); Yahyaoglu, M. [Koç University, Rumelifeneri Yolu, Sariyer, Istanbul 34450 (Turkey); Auffermann, G.; Schnelle, W. [Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Str.40, Dresden 01187 (Germany); Schappacher, F.; Pöttgen, R. [Institut für Anorganische und Analytische Chemie, Universität Münster, Corrensstraße 30, Münster 48149 (Germany); Somer, M., E-mail: msomer@ku.edu.tr [Koç University, Rumelifeneri Yolu, Sariyer, Istanbul 34450 (Turkey)

    2014-02-15T23:59:59.000Z

    Li{sub 0.44}Eu{sub 3}[B{sub 3}N{sub 6}] was synthesized from the metathesis reaction of Li{sub 3}[BN{sub 2}] and EuCl{sub 3} at 850 °C. Li{sub 0.44}Eu{sub 3}[B{sub 3}N{sub 6}] crystallizes in the trigonal space group R3{sup Ż}c (No. 167) with a=12.0225(2) Ĺ, c=6.8556(2) Ĺ and Z=6. In the crystal structure, isolated, planar cyclic [B{sub 3}N{sub 6}]{sup 9?} units are charge-balanced by the mixed-valence Eu{sup 3+}/Eu{sup 2+} and Li{sup +} cations. Li{sup +} occupies partially (44%) the Wyckoff site 6b and is sandwiched between the [B{sub 3}N{sub 6}]{sup 9?} anions. Mössbauer spectroscopy results show the resonance lines of Eu{sup 2+} and Eu{sup 3+}, respectively, indicating the heterogeneous mixed valency of the Eu atoms. X-Band ESR investigations between 5 and 300 K reveal an intense signal over the whole temperature range originating from Eu{sup 2+}. Magnetic susceptibility measurements indicate a Curie–Weiss behavior with an experimental effective magnetic moment of ?{sub eff}=8.28 ?{sub B} per formula unit. - Graphical abstract: Single crystals of Li{sub 0.44}Eu{sub 3}[B{sub 3}N{sub 6}] was obtained from the metathesis reaction of Li{sub 3}[BN{sub 2}] and EuCl{sub 3.}{sup 151}Eu Mössbauer, ESR and magnetic susceptibility measurements reveal the heterogeneous mixed valency of the Eu atoms. Display Omitted - Highlights: • Single crystals of Li{sub 0.44}Eu{sub 3}[B{sub 3}N{sub 6}] was obtained from the metathesis reaction of Li{sub 3}[BN{sub 2}] and EuCl{sub 3} at 850 °C. • Crystal structure is built up by isolated, planar cyclic [B{sub 3}N{sub 6}]{sup 9?} units which are surrounded by mixed valence Eu{sup 3+}/Eu{sup 2+}. • Li{sup +} occupies partially (44%) the site 6b and is sandwiched between the [B{sub 3}N{sub 6}]{sup 9?} anions. • The {sup 151}Eu Mössbauer spectroscopy, electron spin resonance spectroscopy and magnetic susceptibility measurements confirm the heterogeneous mixed valency of Eu.

  18. Transport and magnetism in La{sub 2/3}Ca{sub 1/3}(Mn{sub 1{minus}x}Co{sub x})O{sub 3} and La{sub 2/3}Ca{sub 1/3}(Mn{sub 1{minus}x}Ni{sub x})O{sub 3} (abstract)

    SciTech Connect (OSTI)

    Rubinstein, M.; Tritt, T.M.; Synder, J.E. [U.S. Naval Research Laboratory, Washington, D.C. 20375 (United States)] [U.S. Naval Research Laboratory, Washington, D.C. 20375 (United States)

    1997-04-01T23:59:59.000Z

    La{sub 2/3}Ca{sub 1/3}MnO{sub 3} is a strong double-exchange ferromagnet where the ratio of La{sup 3+}{endash}Ca{sup 2+} ions has been chosen to maximize its favorable magnetic and transport properties. The Mn ion is unique as an effective participant in the double-exchange process. It is of interest to add Ni or Co atoms substitutionally for Mn in the form of La{sub 2/3}Ca{sub 1/3}(Mn{sub 1{minus}x}Co{sub x})O{sub 3} and La{sub 2/3}Ca{sub 1/3}(Mn{sub 1{minus}x}Ni{sub x})O{sub 3} in order to determine the relative importance of the double-exchange interaction as the Mn concentration is reduced. Powder x-ray diffraction reveals we can retain the original orthorhombic structure of La{sub 2/3}Ca{sub 1/3}MnO{sub 3} (with up to 50{percent} Co or Ni substitution) by a series of anneals at 1300{degree}C followed by repeated grindings. We have investigated the magnetization, electrical conductivity, and thermopower of these mixed transition-metal perovskites. For La{sub 2/3}Ca{sub 1/3}(Mn{sub 1{minus}x}Co{sub x})O{sub 3}, the magnetization decreases with added Co, but ferromagnetism is retained (at least up to 50{percent} Co). Although metallic conductivity is still present at 10{percent} Co concentration, these Co{endash}Mn perovskites become insulating for x{ge}0.2. For La{sub 2/3}Ca{sub 1/3}(Mn{sub 1{minus}x}Ni{sub x})O{sub 3}, the metallic state is retained at least until x=0.5. The magnetic properties exhibit spin-glasslike behavior for x{ge}0.25. {copyright} {ital 1997 American Institute of Physics.}

  19. Nanostructured Ge{sub 2}Sb{sub 2}Te{sub 5} chalcogenide films produced by laser electrodispersion

    SciTech Connect (OSTI)

    Yavsin, D. A., E-mail: yavsin@mail.ioffe.ru; Kozhevin, V. M.; Gurevich, S. A.; Yakovlev, S. A.; Melekh, B. T.; Yagovkina, M. A.; Pevtsov, A. B. [Russian Academy of Sciences, Ioffe Physical-Technical Institute (Russian Federation)

    2014-12-15T23:59:59.000Z

    Amorphous nanostructured films of a complex chalcogenide (Ge{sub 2}Sb{sub 2}Te{sub 5}) are produced by laser electrodispersion and their structural and electrical properties are studied. It is found that the characteristic size of Ge{sub 2}Sb{sub 2}Te{sub 5} nanoparticles in the structure of the films is 1.5–5 nm.

  20. Magnetovolume effect in Ho{sub 2}Fe{sub 17-x}Mn{sub x} compounds

    SciTech Connect (OSTI)

    Wang, J. L. [Institute for Superconductivity and Electronic Materials, University of Wollongong (Australia); Bragg Institute, ANSTO, Menai, NSW 2234 (Australia); School of Physical, Environmental and Mathematical Sciences, University of New South Wales, Canberra, ACT 2600 (Australia); Studer, A. J.; Kennedy, S. J. [Bragg Institute, ANSTO, Menai, NSW 2234 (Australia); Zeng, R.; Dou, S. X. [Institute for Superconductivity and Electronic Materials, University of Wollongong (Australia); Campbell, S. J. [School of Physical, Environmental and Mathematical Sciences, University of New South Wales, Canberra, ACT 2600 (Australia)

    2012-04-01T23:59:59.000Z

    The structural and magnetic properties of seven compounds in the Ho{sub 2}Fe{sub 17-x}Mn{sub x} series (x = 0-5) have been investigated. The spontaneous magnetization M{sub s} at 10 K exhibits a minimum at x{approx_equal} 3.8 while the 3d-sublattice magnetization M{sub T} is found to decrease at {approx} -3.4 {mu}{sub B}/per Mn atom compared with the rate of {approx}-2.0 {mu}{sub B}/per Mn atom expected from a simple dilution model. All of the Ho{sub 2}Fe{sub 17-x}Mn{sub x} compounds exhibit anisotropic thermal expansion below their Curie temperatures leading to the presence of strong magnetovolume effects and Invar-type behavior below T{sub C}. An approximately zero volume thermal expansion has been detected between 10 K and 270 K for Ho{sub 2}Fe{sub 17}. The maximum magnetic entropy changes for Ho{sub 2}Fe{sub 17-x}Mn{sub x} with x = 0 and 2.0 are 3.2 J kg{sup -1} K{sup -1} around T{sub C} {approx} 336 K and 2.7 J kg{sup -1} K{sup -1} around T{sub C} {approx} 302 K, respectively, for magnetic field change of B = 0-5 T.

  1. Quadruple-layered perovskite (CuCl)Ca{sub 2}NaNb{sub 4}O{sub 13}

    SciTech Connect (OSTI)

    Kitada, A.; Tsujimoto, Y.; Yamamoto, T. [Department of Energy and Hydrocarbon Chemistry, Faculty of Engineering, Kyoto University, Nishikyo, Kyoto 615-8510 (Japan); Department of Chemistry, Graduate School of Science, Kyoto University, Kyoto 606-8502 (Japan); Kobayashi, Y. [Department of Energy and Hydrocarbon Chemistry, Faculty of Engineering, Kyoto University, Nishikyo, Kyoto 615-8510 (Japan); Narumi, Y. [Institute for Solid State Physics, University of Tokyo, Kashiwa, Chiba 277-8581 (Japan); Institute for Materials Research, Tohoku University, Katahira 2-1-1, Sendai 980-8577 (Japan); Kindo, K. [Institute for Solid State Physics, University of Tokyo, Kashiwa, Chiba 277-8581 (Japan); Aczel, A.A.; Luke, G.M. [Department of Physics and Astronomy, McMaster University, Hamilton, Ontario, L8S 4M1 (Canada); Uemura, Y.J. [Department of Physics, Columbia University, New York, NY 10027 (United States); Kiuchi, Y.; Ueda, Y. [Institute for Solid State Physics, University of Tokyo, Kashiwa, Chiba 277-8581 (Japan); Yoshimura, K. [Department of Chemistry, Graduate School of Science, Kyoto University, Kyoto 606-8502 (Japan); Ajiro, Y. [Department of Energy and Hydrocarbon Chemistry, Faculty of Engineering, Kyoto University, Nishikyo, Kyoto 615-8510 (Japan); Kageyama, H., E-mail: kage@scl.kyoto-u.ac.jp [Department of Energy and Hydrocarbon Chemistry, Faculty of Engineering, Kyoto University, Nishikyo, Kyoto 615-8510 (Japan); Department of Chemistry, Graduate School of Science, Kyoto University, Kyoto 606-8502 (Japan); Institute for Integrated Cell-Material Sciences, Kyoto University, Sakyo, Kyoto 606-8501 (Japan); CREST, Japan Science and Technology Agency, Kawaguchi 332-0012 (Japan)

    2012-01-15T23:59:59.000Z

    We will present the synthesis, structure and magnetic properties of a new quadruple-layered perovskite (CuCl)Ca{sub 2}NaNb{sub 4}O{sub 13}. Through a topotactic ion-exchange reaction with CuCl{sub 2}, the precursor RbCa{sub 2}NaNb{sub 4}O{sub 13} presumably having an incoherent octahederal tliting changes into (CuCl)Ca{sub 2}NaNb{sub 4}O{sub 13} with a 2a{sub p} Multiplication-Sign 2a{sub p} Multiplication-Sign 2c{sub p} superstructure (tetragonal; a=7.73232(5) A, c=39.2156(4) A). The well-defined superstructure for the ion-exchanged product should be stabilized by the inserted CuCl{sub 4}O{sub 2} octahedral layers that firmly connect with neighboring perovskite layers. Magnetic studies show the absence of long-range magnetic ordering down to 2 K despite strong in-plane interactions. Aleksandrov Prime s group theory and Rietveld refinement of synchrotron X-ray diffraction data suggest the structure to be of I4/mmm space group with in-phase tilting along the a and b axes, a two-tilt system (++0). - Graphical Abstract: We present a quadruple-layered copper oxyhalide (CuCl)Ca{sub 2}NaNb{sub 4}O{sub 13} synthesized through a topotactic ion-exchange reaction of RbCa{sub 2}NaNb{sub 4}O{sub 13} with CuCl{sub 2}. The compound has a well-defined superstructure. Magnetic studies suggest the absence of magnetic order even at 2 K. Highlights: Black-Right-Pointing-Pointer (CuCl)Ca{sub 2}NaNb{sub 4}O{sub 13} was prepared by ion-exchange reaction of RbCa{sub 2}NaNb{sub 4}O{sub 13} with CuCl{sub 2}. Black-Right-Pointing-Pointer Compound has a 2a{sub p} Multiplication-Sign 2a{sub p} Multiplication-Sign 2c{sub p} superstructure (tetragonal; a=7.73 A, c=39.21 A). Black-Right-Pointing-Pointer Such a well-defined superstructure was not observed in the precursor compound. Black-Right-Pointing-Pointer Aleksandrov Prime s theory and Rietveld study suggest a (++0) octahedral tilting (I4/mmm). Black-Right-Pointing-Pointer Magnetic studies revealed the absence of magnetic order down to 2 K.

  2. Method for preparation of textured YBa.sub.2 Cu.sub.3 O.sub.x superconductor

    DOE Patents [OSTI]

    Selvamanickam, Venkat (Guilderland, NY); Goyal, Amit (Knoxville, TN); Kroeger, Donald M. (Knoxville, TN)

    1998-01-01T23:59:59.000Z

    The present invention relate to textured YBa.sub.2 Cu.sub.3 O.sub.x (Y-123) superconductors and a process of preparing them by directional recrystallization of compacts fabricated from quenched YBCO powders at temperatures about 100.degree. C. below the peritectic temperature to provide a superconductor where more than 75% of the YBa.sub.2 Cu.sub.3 O.sub.x phase is obtained without any Y.sub.2 BaCuO.sub.5 .

  3. Mechanochemical-thermal preparation and structural studies of mullite-type Bi{sub 2}(Ga{sub x}Al{sub 1-x}){sub 4}O{sub 9} solid solutions

    SciTech Connect (OSTI)

    Da Silva, K.L. [Institute of Physical and Theoretical Chemistry, Technische Universitaet Braunschweig, Hans-Sommer-Str. 10, 38106 Braunschweig (Germany); Institute of Physical Chemistry and Electrochemistry, Leibniz University Hannover, Callinstr. 3a, 30167 Hannover (Germany); Department of Physics, State University of Maringa, Av. Colombo 5790, 87020-900 Maringa (Brazil); Sepelak, V., E-mail: vladimir.sepelak@kit.ed [Institute of Nanotechnology, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Duevel, A. [Institute of Physical Chemistry and Electrochemistry, Leibniz University Hannover, Callinstr. 3a, 30167 Hannover (Germany); Paesano, A. [Department of Physics, State University of Maringa, Av. Colombo 5790, 87020-900 Maringa (Brazil); Hahn, H. [Institute of Nanotechnology, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Litterst, F.J. [Institute of Condensed Matter Physics, Technische Universitaet Braunschweig, Mendelssohnstr. 3, 38106 Braunschweig (Germany); Heitjans, P. [Institute of Physical Chemistry and Electrochemistry, Leibniz University Hannover, Callinstr. 3a, 30167 Hannover (Germany); Becker, K.D. [Institute of Physical and Theoretical Chemistry, Technische Universitaet Braunschweig, Hans-Sommer-Str. 10, 38106 Braunschweig (Germany)

    2011-05-15T23:59:59.000Z

    A series of Bi{sub 2}(Ga{sub x}Al{sub 1-x}){sub 4}O{sub 9} solid solutions (0{<=}x{<=}1), prepared by mechanochemical processing of Bi{sub 2}O{sub 3}/Ga{sub 2}O{sub 3}/Al{sub 2}O{sub 3} mixtures and subsequent annealing, was investigated by XRD, EDX, and {sup 27}Al MAS NMR. The structure of the Bi{sub 2}(Ga{sub x}Al{sub 1-x}){sub 4}O{sub 9} solid solutions is found to be orthorhombic, space group Pbam (No. 55). The lattice parameters of the Bi{sub 2}(Ga{sub x}Al{sub 1-x}){sub 4}O{sub 9} series increase linearly with increasing gallium content. Rietveld refinement of the XRD data as well as the analysis of the {sup 27}Al MAS NMR spectra show a preference of gallium cations for the tetrahedral sites in Bi{sub 2}(Ga{sub x}Al{sub 1-x}){sub 4}O{sub 9}. As a consequence, this leads to a far from random distribution of Al and Ga cations across the whole series of solid solutions. -- Graphical Abstract: Mullite-type Bi{sub 2}(Ga{sub x}Al{sub 1-x}){sub 4}O{sub 9} mixed crystals (0{<=}x{<=}1) prepared by a combined mechanochemical-thermal route possess a non-random distribution of Ga{sup 3+} and Al{sup 3+} cations over the sites of tetrahedral (T) and octahedral [O] coordination, characterized by the preference of Ga{sup 3+} (Al{sup 3+}) for tetrahedral (octahedral) sites. Display Omitted Highlights: {yields} Bi{sub 2}(Ga{sub x}Al{sub 1-x}){sub 4}O{sub 9} (0{<=}x{<=}1) were synthesized via mechanochemical-thermal route. {yields} The lattice parameters of Bi{sub 2}(Ga{sub x}Al{sub 1-x}){sub 4}O{sub 9} increase linearly with gallium content. {yields} Quantitative information on the cation distribution in Bi{sub 2}(Ga{sub x}Al{sub 1-x}){sub 4}O{sub 9} is derived. {yields} Ga{sup 3+} and Al{sup 3+} show the preference for tetrahedral and octahedral sites, respectively.

  4. Enhanced ferromagnetic order in Sr{sub 4}Mn{sub 3}O{sub 3}(GeO{sub 4}){sub 3} featuring canted [MnO{sub 4}]{sub ?} spin chains of mixed-valent Mn(III)/Mn(IV). Aliovalent substitution of the Sr{sub 4?x}Ln{sub x}Mn{sup III}{sub 2+x}Mn{sup IV}{sub 1?x}O{sub 3}(GeO{sub 4}){sub 3} solid-solution

    SciTech Connect (OSTI)

    West, J. Palmer; Sulejmanovic, Dino [Department of Chemistry, Clemson University, Clemson, SC 29634 (United States); Becht, Gregory [E. I. du Pont, Wilmington, DE 19880-0500 (United States); He, Jian; Hitchcock, Dale [Department of Physics and Astronomy, Clemson University, Clemson, SC 29634 (United States); Yan, Yonggao [Wuhan University of Technology, Wuhan 430070 (China); Hwu, Shiou-Jyh, E-mail: shwu@clemson.edu [Department of Chemistry, Clemson University, Clemson, SC 29634 (United States)

    2013-10-15T23:59:59.000Z

    Crystals of Sr{sub 4?x}Ln{sub x}Mn{sub 3}O{sub 3}(GeO{sub 4}){sub 3} (x=0; x?0.15 for Ln=La, Pr, Nd, Sm. Eu, Gd, Dy; x?0.3 for Ln=Gd) were isolated upon using high-temperature, solid-state methods in molten-salt media. These compounds are isostructural with the previously reported Na{sub 3}LnMn{sub 3}O{sub 3}(AsO{sub 4}){sub 3} (Ln=La, Sm, Gd) series that contains the same [MnO{sub 4}]{sub ?} spin chains. The synthesis of the Sr{sub 4}Mn{sub 3}O{sub 3}(GeO{sub 4}){sub 3} (x=0) phase was carried out by a double aliovalent substitution with respect to the Sr{sup 2+} and Ge{sup 4+} ions that replace Na{sup +}/Ln{sup 3+} and As{sup 5+} in Na{sub 3}LnMn{sub 3}O{sub 3}(AsO{sub 4}){sub 3}, respectively. The title series contains mixed-valent Mn(III)/Mn(IV) and shows a limited range of solid solution, both of which were not observed in the previously reported Na{sub 3}LnMn{sub 3}O{sub 3}(AsO{sub 4}){sub 3} series. To form the Sr{sub 4?x}Ln{sub x}Mn{sub 3}O{sub 3}(GeO{sub 4}){sub 3} solid solution, one of the Sr{sup 2+} sites, i.e., the original Ln-site in Na{sub 3}LnMn{sub 3}O{sub 3}(AsO{sub 4}){sub 3}, is partially substituted by Ln{sup 3+} in a statistical disorder of Sr{sub 1?x}/Ln{sub x}. Initial magnetic investigations of selected derivatives reveal higher ferromagnetic ordering temperatures than those reported for the Na{sub 3}LnMn{sub 3}O{sub 3}(AsO{sub 4}){sub 3} series, presumably attributed to a lesser degree of canting as a result of introducing non-Jahn–Teller Mn{sup 4+} ions. Also intriguing is the observation of multiple anomalies at low temperatures which appear to be of electronic origins. - Graphical abstract: Sr{sub 4?x}Ln{sub x}Mn(III){sub 2+x}Mn(IV){sub 1?x}O{sub 3}(GeO{sub 4}){sub 3}. Display Omitted - Highlights: • Double aliovalent substitution: Sr{sub 4}Mn{sub 3}O{sub 3}(GeO{sub 4}){sub 3} with respect to Na{sub 3}LnMn{sub 3}O{sub 3}(AsO{sub 4}){sub 3}. • Solid solution with respect to statistical disorder of Sr{sub 1?x}Ln{sub x} in one of the two Sr sites. • Mn{sup 3+}/Mn{sup 4+} magnetic ions are spatially arranged in a triangular kagomé fashion. • Enhanced ferromagnetic ordering attributed to doping non-Jahn–Teller Mn{sup 4+}.

  5. Search for B?<sub>s> ? ?+ ?- and B?<sub>d> ? mu+mu- decays in p anti-p collisions with CDF. II.

    SciTech Connect (OSTI)

    Abulencia, A.; Acosta, D.; Adelman, J.; Affolder, T.; Akimoto, T.; Albrow, M. G.; Ambrose, D.; Amerio, S.; Amidei, D.; Anastassov, A.; Anikeev, K.; Annovi, A.; Antos, J.; Aoki, M.; Apollinari, G.; Arguin, J. -F.; Arisawa, T.; Artikov, A.; Ashmanskas, W.; Attal, A.; Azfar, F.

    2005-08-01T23:59:59.000Z

    We report on a search for B?<sub>s> ? ?+ ?- and B?<sub>d> ? mu+mu- decays in p anti-p collisions at ?s = 1.96 TeV using 364.4 pb -1 of data collected by the CDF II dectector at Fermilab Tevatron Collider. After applying all selection requirements, we observe no candidates inside the B?<sub>s> or B?<sub>d> mass windows. The resulting upper limits on the branching fractions are ?(B?<sub>s> ? ?+?-) < 1.5 x 10-7 and ?(B?<sub>d> ? ?+?-) < 3.9 x 10-8 at 90 % confidence level. (auth)

  6. Visible-light absorption and large band-gap bowing of GaN<sub>1-xsub>Sbx> from first principles

    SciTech Connect (OSTI)

    Sheetz, R. Michael; Richter, Ernst; Andriotis, Antonis N.; Lisenkov, Sergey; Pendyala, Chandrashekhar; Sunkara, Mahendra K.; Menon, Madhu

    2011-08-01T23:59:59.000Z

    Applicability of the Ga(Sb<sub>x)N>1-xsub> alloys for practical realization of photoelectrochemical water splitting is investigated using first-principles density functional theory incorporating the local density approximation and generalized gradient approximation plus the Hubbard U parameter formalism. Our calculations reveal that a relatively small concentration of Sb impurities is sufficient to achieve a significant narrowing of the band gap, enabling absorption of visible light. Theoretical results predict that Ga(Sb<sub>x)N>1-xsub> alloys with 2-eV band gaps straddle the potential window at moderate to low pH values, thus indicating that dilute Ga(Sb<sub>x)N>1-xsub> alloys could be potential candidates for splitting water under visible light irradiation.

  7. Synthetic CO.sub.2 acceptor

    DOE Patents [OSTI]

    Lancet, Michael S. (Pittsburgh, PA); Curran, George P. (Pittsburgh, PA)

    1981-08-18T23:59:59.000Z

    A synthetic CO.sub.2 acceptor consisting essentially of at least one compound selected from the group consisting of calcium oxide and calcium carbonate supported in a refractory carrier matrix, the carrier having the general formula Ca.sub.5 (SiO.sub.4).sub.2 CO.sub.3. A method for producing the synthetic CO.sub.2 acceptor is also disclosed.

  8. Ethanol as Internal Standard for Quantitative Determination of Volatile Compounds in Spirit Drinks by Gas Chromatography

    E-Print Network [OSTI]

    Charapitsa, Siarhei V; Kulevich, Nikita V; Makoed, Nicolai M; Mazanik, Arkadzi L; Sytova, Svetlana N

    2012-01-01T23:59:59.000Z

    The new methodical approach of using ethanol as internal standard in gas chromatographic analysis of volatile compounds in spirit drinks in daily practice of testing laboratories is proposed. This method provides determination of volatile compounds concentrations in spirit drinks directly expressed in milligrams per liter (mg/L) of absolute alcohol according to official methods without measuring of alcohol strength of analyzed sample. The experimental demonstration of this method for determination of volatile compounds in spirit drinks by gas chromatography is described. Its validation was carried out by comparison with experimental results obtained by internal standard method and external standard method.

  9. Ionic Liquids: Breakthrough Absorption Technology for Post-Combustion CO{sub 2} Capture

    SciTech Connect (OSTI)

    Maginn, Edward

    2012-09-30T23:59:59.000Z

    This is the final report for DE-FC26-07NT43091 â??Ionic Liquids: Breakthrough Absorption Technology for Post-Combustion CO{sub 2} Captureâ?ť. A detailed summary is provided of the ionic liquid (IL) discovery process, synthesis and testing results, process / systems modeling, lab-scale operational testing, corrosion testing and commercialization possibilities. The work resulted in the discovery of a new class of ionic liquids (ILs) that efficiently react with CO{sub 2} in a 1:1 stoichiometry with no water present and no increase in viscosity. The enthalpy of reaction was tuned to optimize process economics. The IL was found to have excellent corrosion behavior with and without CO{sub 2} present. In lab-scale tests, the IL was able to effectively remove CO{sub 2} from a simulated flue gas stream, although mass transfer was slower than with aqueous monoethanolamine (MEA) due to higher viscosities. The non-volatile nature of the solvent and its high thermal stability, however, make it an intriguing option. An independent systems analysis indicates that the economics of using the best IL discovered to date (NDIL0157), are at least comparable to â?? and potentially slightly better than -â?? the Fluor Econamine FG PlusTM process (DOE Case 12). Further work should be directed at improving mass transfer / lowering viscosity and developing commercial synthesis routes to make these ILs at scale in an inexpensive manner. Demonstration of the process at larger scales is also warranted, as is the exploration of other process configurations that leverage the anhydrous nature of the solvent and its extremely low volatility.

  10. Doping and pressure study of U sub 3 Sb sub 4 Pt sub 3

    SciTech Connect (OSTI)

    Canfield, P.C.; Lacerda, A.; Thompson, J.D.; Sparn, G.; Beyermann, W.P.; Hundley, M.F.; Fisk, Z.

    1991-01-01T23:59:59.000Z

    The effects of doping and pressure on the U{sub 3}Sb{sub 4}Pt{sub 3} system have been studied. Substitution of either trivalent Y or Lu for U causes significant changes in temperature dependence of the electrical resistance and magnitude of the linear coefficient of the specific heat, {gamma}. However, doping with tetravalent Th causes little change in {gamma}, even though it affects the electrical resistance in a manner similar to that seen in the cases of Lu and Y. Finally, the application of hydrostatic pressures up to 16.5 kbar causes no significant change in the electrical resistance. 10 refs., 4 figs.

  11. PARTICULATE CHARACTERIZATION AND ULTRA LOW-NOx BURNER FOR THE CONTROL OF NO{sub x} AND PM{sub 2.5} FOR COAL FIRED BOILERS

    SciTech Connect (OSTI)

    Ralph Bailey; Hamid Sarv; Jim Warchol; Debi Yurchison

    2001-09-30T23:59:59.000Z

    In response to the serious challenge facing coal-fired electric utilities with regards to curbing their NO{sub x} and fine particulate emissions, Babcock and Wilcox and McDermott Technology, Inc. conducted a project entitled, ''Particulate Characterization and Ultra Low-NO{sub x} Burner for the Control of NO{sub x} and PM{sub 2.5} for Coal Fired Boilers.'' The project included pilot-scale demonstration and characterization of technologies for removal of NO{sub x} and primary PM{sub 2.5} emissions. Burner development and PM{sub 2.5} characterization efforts were based on utilizing innovative concepts in combination with sound scientific and fundamental engineering principles and a state-of-the-art test facility. Approximately 1540 metric tonnes (1700 tons) of high-volatile Ohio bituminous coal were fired. Particulate sampling for PM{sub 2.5} emissions characterization was conducted in conjunction with burner testing. Based on modeling recommendations, a prototype ultra low-NO{sub x} burner was fabricated and tested at 100 million Btu/hr in the Babcock and Wilcox Clean Environment Development Facility. Firing the unstaged burner with a high-volatile bituminous Pittsburgh 8 coal at 100 million Btu/hr and 17% excess air achieved a NO{sub x} goal of 0.20 lb NO{sub 2}/million Btu with a fly ash loss on ignition (LOI) of 3.19% and burner pressure drop of 4.7 in H{sub 2}O for staged combustion. With the burner stoichiometry set at 0.88 and the overall combustion stoichiometry at 1.17, average NO{sub x} and LOI values were 0.14 lb NO{sub 2}/million Btu and 4.64% respectively. The burner was also tested with a high-volatile Mahoning 7 coal. Based on the results of this work, commercial demonstration is being pursued. Size classified fly ash samples representative of commercial low-NO{sub x} and ultra low-NO{sub x} combustion of Pittsburgh 8 coal were collected at the inlet and outlet of an ESP. The mass of size classified fly ash at the ESP outlet was sufficient to evaluate the particle size distribution, but was of insufficient size to permit reliable chemical analysis. The size classified fly ash from the inlet of the ESP was used for detailed chemical analyses. Chemical analyses of the fly ash samples from the ESP outlet using a high volume sampler were performed for comparison to the size classified results at the inlet. For all test conditions the particulate removal efficiency of the ESP exceeded 99.3% and emissions were less than the NSPS limits of {approx}48 mg/dscm. With constant combustion conditions, the removal efficiency of the ESP increased as the ESP voltage and Specific Collection Area (SCA) increased. The associated decrease in particle emissions occurred in size fractions both larger and smaller than 2.5 microns. For constant ESP voltage and SCA, the removal efficiency for the ultra low-NO{sub x} combustion ash (99.4-99.6%) was only slightly less than for the low-NO{sub x} combustion ash (99.7%). The decrease in removal efficiency was accompanied by a decrease in ESP current. The emission of PM{sub 2.5} from the ESP did not change significantly as a result of the change in combustion conditions. Most of the increase in emissions was in the size fraction greater than 2.5 microns, indicating particle re-entrainment. These results may be specific to the coal tested in this program. In general, the concentration of inorganic elements and trace species in the fly ash at the ESP inlet was dependent on the particle size fraction. The smallest particles tended to have higher concentrations of inorganic elements/trace species than larger particles. The concentration of most elements by particle size range was independent of combustion condition and the concentration of soluble ions in the fly ash showed little change with combustion condition when evaluated on a carbon free basis.

  12. Pulsed laser deposition of epitaxial BeO thin films on sapphire and SrTiO{sub 3}

    SciTech Connect (OSTI)

    Peltier, Thomas; Takahashi, Ryota; Lippmaa, Mikk, E-mail: mlippmaa@issp.u-tokyo.ac.jp [Institute for Solid State Physics, University of Tokyo, Chiba 277-8581 (Japan)

    2014-06-09T23:59:59.000Z

    Epitaxial beryllia thin films were grown by pulsed laser deposition on Al{sub 2}O{sub 3}(001) and SrTiO{sub 3}(111) substrates. Nearly relaxed epitaxial films were obtained on both substrates at growth temperatures of up to about 600?°C. Crystalline films with expanded lattice parameters were obtained even at room temperature. The maximum growth temperature was limited by a loss of beryllium from the film surface. The volatility of beryllium appeared to be caused by the slow oxidation kinetics at the film surface and the re-sputtering effect of high-energy Be and BeO species in the ablation plume. Time-of-flight plume composition analysis suggested that the target surface became Be metal rich at low oxygen pressures, reducing the growth rate of beryllia films.

  13. Lead (II) selenite halides Pb{sub 3}(SeO{sub 3}){sub 2}X{sub 2} (X = Br, I): Synthesis and crystal structure

    SciTech Connect (OSTI)

    Berdonosov, P. S., E-mail: berdonosov@inorg.chem.msu.ru; Olenev, A. V.; Dolgikh, V. A. [Moscow State University (Russian Federation)

    2012-03-15T23:59:59.000Z

    Two lead selenite halides, Pb{sub 3}(SeO{sub 3}){sub 2}Br{sub 2} and Pb{sub 3}(SeO{sub 3}){sub 2}I{sub 2}, have been prepared by solid-phase synthesis and structurally characterized. These compounds are isotypic and can be considered 3D with a microporous framework composed of lead polyhedra (distorted Archimedean antiprisms formed by oxygen and halogen atoms). The framework contains channels oriented in the [010] direction. These channels contain selenium atoms, which are bound with framework oxygen atoms belonging to different lead polyhedra.

  14. Electronic structure and transport properties of Ba{sub 6}Cu{sub 12}Fe{sub 13}S{sub 27}

    SciTech Connect (OSTI)

    Llanos, J.; Mujica, C. [Univ. Catolica del Norte, Casilla (Chile). Dept. de Quimica] [Univ. Catolica del Norte, Casilla (Chile). Dept. de Quimica

    1997-09-01T23:59:59.000Z

    The electrical properties and bonding in Ba{sub 6}Cu{sub 12}Fe{sub 13}S{sub 27} are analyzed with the extended Hueckel tight-binding method. Because the Fermi level crosses several bands, metallic properties could be expected for this material. The electrical conductivity measurements as well as diffuse reflectance spectrum show that Ba{sub 6}Cu{sub 12}S{sub 13}S{sub 27} is a semiconductor with a band gap of 2.49 eV. The discrepancy between the theoretical and experimental electrical properties is attributed to a random distribution of the Cu and Fe atoms in the structure.

  15. Synthesis and crystal structure of 3-ammoniumphenyl sulfone selenate, 3-aminophenyl sulfone [C{sub 12}H{sub 14}N{sub 2}O{sub 2}S]SeO{sub 4} {center_dot} [C{sub 12}H{sub 12}N{sub 2}O{sub 2}S

    SciTech Connect (OSTI)

    Mahroug, A.; Belhouchet, M., E-mail: belhouchet2002@yahoo.fr; Mhiri, T. [Universite de Sfax, Laboratoire Physico-Chimie de l'Etat Solide. Departement de Chimie. Faculte des Sciences de Sfax (Tunisia)

    2013-07-15T23:59:59.000Z

    The crystal structure of [C{sub 12}H{sub 14}N{sub 2}O{sub 2}S]SeO{sub 4} {center_dot} [C{sub 12}H{sub 12}N{sub 2}O{sub 2}S] was determined by X-ray diffraction on single crystal. Crystals are orthorhombic, space group Pbca, with cell parameters a = 11.545 (1), b = 8.143 (1), c = 55.783(1)A, V = 5244.2 (8)A{sup 3} and Z = 8. The structure can be described as organic layers built by [C{sub 12}H{sub 14}N{sub 2}O{sub 2}S]{sup 2+} cations and [C{sub 12}H{sub 12}N{sub 2}O{sub 2}S] molecules, parallel to ab plane, between which the inorganic groups SeO{sub 4}{sup 2-} are inserted. In this atomic arrangement, H-bonds between the different species play an important role in the three-dimensional network cohesion.

  16. Twofold enhancement of the hidden-order/large-moment antiferromagnetic phase boundary in the URu<sub>2-xsub>Fex>Si? system

    SciTech Connect (OSTI)

    Kanchanavatee, N.; Janoschek, M.; Baumbach, R. E.; Hamlin, J. J.; Zocco, D. A.; Huang, K.; Maple, M. B.

    2011-12-01T23:59:59.000Z

    Electrical resistivity, specific heat, and magnetization measurements on URu<sub>2-xsub>Fex>Si? reveal a twofold enhancement of the “hidden-order” (HO)/large-moment antiferromagnetic (LMAFM) phase boundary T?(x). The T?(P<sub>ch>) curve, obtained by converting x to “chemical pressure” P<sub>ch>, is strikingly similar to the T?(P) curve, where P is applied pressure, for URu?Si? both exhibit a “kink” at 1.5 GPa and a maximum at ~7 GPa. This similarity suggests that the HO-LMAFM transition at 1.5 GPa in URu?Si? occurs at x ? 0.2 (P<sub>ch>?1.5 GPa) in URu<sub>2-xsub>Fex>Si?. URu<sub>2-xsub>Fex>Si? provides an opportunity for studying the HO and LMAFM phases with methods that probe the electronic structure [e.g., scanning tunneling microscopy (STM), angle-resolved photoemission spectroscopy (ARPES), and point-contact spectroscopy (PCS)] but cannot be used under pressure.

  17. Topologically identical, but geometrically isomeric layers in hydrous ?-, ?-Rb[UO{sub 2}(AsO{sub 3}OH)(AsO{sub 2}(OH){sub 2})]·H{sub 2}O and anhydrous Rb[UO{sub 2}(AsO{sub 3}OH)(AsO{sub 2}(OH){sub 2})

    SciTech Connect (OSTI)

    Yu, Na; Klepov, Vladislav V. [Forschungszentrum Jülich GmbH, Institute for Energy and Climate Research (IEK-6), 52428 Jülich (Germany); Villa, Eric M. [Department of Chemistry, Creighton University, 2500 California Plaza, Omaha NE 68178 (United States); Bosbach, Dirk [Forschungszentrum Jülich GmbH, Institute for Energy and Climate Research (IEK-6), 52428 Jülich (Germany); Suleimanov, Evgeny V. [Department of Chemistry, Lobachevsky State University of Nizhny Novgorod, 603950 Nizhny Novgorod (Russian Federation); Depmeier, Wulf [Institut für Geowissenschaften, Universität zu Kiel, 24118 Kiel (Germany); Albrecht-Schmitt, Thomas E., E-mail: albrecht-schmitt@chem.fsu.edu [Department of Chemistry and Biochemistry, Florida State University, 102 Varsity Way, Tallahassee, FL 32306-4390 (United States); Alekseev, Evgeny V., E-mail: e.alekseev@fz-juelich.de [Forschungszentrum Jülich GmbH, Institute for Energy and Climate Research (IEK-6), 52428 Jülich (Germany); Institut für Kristallographie, RWTH Aachen University, 52066 Aachen (Germany)

    2014-07-01T23:59:59.000Z

    The hydrothermal reaction of uranyl nitrate with rubidium nitrate and arsenic (III) oxide results in the formation of polymorphic ?- and ?-Rb[UO{sub 2}(AsO{sub 3}OH)(AsO{sub 2}(OH){sub 2})]·H{sub 2}O (?-, ?-RbUAs) and the anhydrous phase Rb[UO{sub 2}(AsO{sub 3}OH)(AsO{sub 2}(OH){sub 2})] (RbUAs). These phases were structurally, chemically and spectroscopically characterized. The structures of all three compounds are based upon topologically identical, but geometrically isomeric layers. The layers are linked with each other by means of the Rb cations and hydrogen bonding. Dehydration experiments demonstrate that water deintercalation from hydrous ?- and ?-RbUAs yields anhydrous RbUAs via topotactic reactions. - Graphical abstract: Three different layer geometries observed in the structures of Rb[UO{sub 2}(AsO{sub 3}OH)(AsO{sub 2}(OH){sub 2})] and ?- and ?- Rb[UO{sub 2}(AsO{sub 3}OH)(AsO{sub 2}(OH){sub 2})]·H{sub 2}O. Two different coordination environments of uranium polyhedra (types I and II) are shown schematically on the top of the figure. - Highlights: • Three new uranyl arsenates were synthesized from the hydrothermal reactions. • The phases consist of the topologically identical but geometrically different layers. • Topotactic transitions were observed in the processes of mono-hyrates dehydration.

  18. Cobalt-doped Bi{sub 26}Mo{sub 10}O{sub 69}: Crystal structure and conductivity

    SciTech Connect (OSTI)

    Mikhailovskaya, Z.A., E-mail: zozoikina@mail.ru [Ural Federal University, Lenin Ave. 51, 620000 Ekaterinburg (Russian Federation); Buyanova, E.S. [Ural Federal University, Lenin Ave. 51, 620000 Ekaterinburg (Russian Federation); Petrova, S.A. [Institute of Metallurgy, Ural Branch of the Russian Academy of Sciences, 101 Amundsen Str., 620016 Ekaterinburg (Russian Federation); Morozova, M.V.; Zhukovskiy, V.M. [Ural Federal University, Lenin Ave. 51, 620000 Ekaterinburg (Russian Federation); Zakharov, R.G. [Institute of Metallurgy, Ural Branch of the Russian Academy of Sciences, 101 Amundsen Str., 620016 Ekaterinburg (Russian Federation); Tarakina, N.V. [Institute of Solid State Chemistry, Ural Branch of the Russian Academy of Sciences, 91 Pervomayskaya Str., 620990 Ekaterinburg (Russian Federation); Experimentelle Physik III, Physikalisches Institut and Wilhelm Conrad Röntgen—Research Centre for Complex Material Systems, Universität Würzburg, Am Hubland, D-97074 Würzburg (Germany); Berger, I.F. [Institute of Solid State Chemistry, Ural Branch of the Russian Academy of Sciences, 91 Pervomayskaya Str., 620990 Ekaterinburg (Russian Federation)

    2013-08-15T23:59:59.000Z

    A series of cobalt-doped bismuth molybdates were synthesized and investigated using X-ray powder diffraction, transmission electron microscopy and impedance spectroscopy. The ranges of solid solution were determined. Two new compounds, Bi{sub 1?x}Co{sub x}[Bi{sub 12}O{sub 14}]Mo{sub 5}O{sub 34.5±?} (x=0.2) and Bi[Bi{sub 12}O{sub 14}]Mo{sub 5?y}Co{sub y}O{sub 34.5±?} (y=0.2), which crystallise in monoclinic unit cells have been examined in detail by diffraction methods. Impedance spectroscopy measurements show that the studied materials are good ionic conductors with conductivity values about 5×10{sup ?3} S×cm{sup ?1} at 973 K and 1.7×10{sup ?4} S×cm{sup ?1} at 623 K, which are similar to conductivity values of yttrium substituted zirconia and (YSZ) gadolinium doped ceria (CGO). - Graphical abstract: Measured and calculated diffraction spectra for Bi{sub 12.8}Co{sub 0.2}Mo{sub 5}O{sub 34±?} and projection of the Bi{sub 12.8}Co{sub 0.2}Mo{sub 5}O{sub 34±?} crystal structure onto the ac plane. Highlights: • The limit of the Bi{sub 1?x}Co{sub x}[Bi{sub 12}O{sub 14}]Mo{sub 5}O{sub 34.5±?} homogeneity range is equal to x=0.2. • The limit of the Bi[Bi{sub 12}O{sub 14}]Mo{sub 5?y}Co{sub y}O{sub 34.5±?} homogeneity range is equal to y=0.2. • Solid solutions have monoclinic symmetry. No phase transition is observed. • The conductivity at 700° for y=0.2 solid solutions is equal to ?lg ?, S×cm{sup ?1}=2.23. • The conductivity at 350° for y=0.2 solid solutions is equal to ?lg ?, S×cm{sup ?1}=3.74.

  19. Hydrogen-bridge trinuclear nitrosyl carbonyl tungstate: H[sub 2]W[sub 3](CO)[sub 13](NO)[sup [minus

    SciTech Connect (OSTI)

    Jiann T. Lin; Yuh S. Wen (Academia Sinica, Nankang, Taipei Taiwan (China)); Shiow Y. Wang (Private Chung Chou Junior College of Technology and Commerce, Chung Hau Taiwan (China)); An C. Yeh; Thamas Y.R. Tsai (Chun-Yuan Christian Univ., Chung-Li, Taiwan (China)); Shie-Ming Peng; Lee, G.H. (National Tawian Univ., Taipei (China))

    1994-04-27T23:59:59.000Z

    Treatment of HW[sub 2](CO)[sub 7](THF)[sub 2](NO) with P[sup t]Bu[sub 3] gives HW[sub 2](CO)[sub 8](P[sup t]Bu[sub 3])(NO) (1), [HP[sup t]PBu[sub 3

  20. Synthesis, crystal structure and magnetic property of a new nickel selenite chloride: Ni{sub 5}(SeO{sub 3}){sub 4}Cl{sub 2}

    SciTech Connect (OSTI)

    Shen Yueling [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, and the Graduate School of the Chinese Academy of Sciences, Fuzhou 350002 (China); Mao Jianggao [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, and the Graduate School of the Chinese Academy of Sciences, Fuzhou 350002 (China)]. E-mail: mjg@ms.fjirsm.ac.cn; Jiang Hailong [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, and the Graduate School of the Chinese Academy of Sciences, Fuzhou 350002 (China)

    2005-09-15T23:59:59.000Z

    The new nickel selenite chloride, Ni{sub 5}(SeO{sub 3}){sub 4}Cl{sub 2}, was obtained by high-temperature solid state reaction of NiCl{sub 2}, Ni{sub 2}O{sub 3} and SeO{sub 2} in a 1:2:4molar ratio at 700{sup o}C in an evacuated quartz tube. Its structure was established by single-crystal X-ray diffraction. Ni{sub 5}(SeO{sub 3}){sub 4}Cl{sub 2} crystallizes in the triclinic system, space group P-1 (No. 2) with cell parameters of a=8.076(2), b=9.288(2), c=9.376(2)A, {alpha}=101.97(3), {beta}=105.60(3), {gamma}=91.83(3){sup o} and Z=2. All nickel(II) ions in Ni{sub 5}(SeO{sub 3}){sub 4}Cl{sub 2} are octahedrally coordinated by selenite oxygens or/and chloride anions (([Ni(1)O{sub 5}Cl], [Ni(2)O{sub 4}Cl{sub 2}], [Ni(3)O{sub 5}Cl], [Ni(4)O{sub 6}] and [Ni(5)O{sub 4}Cl]). The structure of the title compound features a condensed three-dimensional (3D) network built by Ni(II) ions interconnected by SeO{sub 3}{sup 2-} anions as well as Cl{sup -} anions. Magnetic property measurements show strong antiferromagnetic interaction between nickel(II) ions.

  1. SrZn{sub 2}Sn{sub 2} and Ca{sub 2}Zn{sub 3}Sn{sub 6} - two new Ae-Zn-Sn polar intermetallic compounds (Ae: alkaline earth metal)

    SciTech Connect (OSTI)

    Stegmaier, Saskia [Department Chemie, Technische Universitaet Muenchen, Lichtenbergstrasse 4, 85747 Garching (Germany); Faessler, Thomas F., E-mail: Thomas.Faessler@lrz.tum.de [Department Chemie, Technische Universitaet Muenchen, Lichtenbergstrasse 4, 85747 Garching (Germany)

    2012-08-15T23:59:59.000Z

    SrZn{sub 2}Sn{sub 2} and Ca{sub 2}Zn{sub 3}Sn{sub 6}, two closely related new polar intermetallic compounds, were obtained by high temperature reactions of the elements. Their crystal structures were determined with single crystal XRD methods, and their electronic structures were analyzed by means of DFT calculations. The Zn-Sn structure part of SrZn{sub 2}Sn{sub 2} comprises (anti-)PbO-like {l_brace}ZnSn{sub 4/4}{r_brace} and {l_brace}SnZn{sub 4/4}{r_brace} layers. Ca{sub 2}Zn{sub 3}Sn{sub 6} shows similar {l_brace}ZnSn{sub 4/4}{r_brace} layers and {l_brace}Sn{sub 4}Zn{r_brace} slabs constructed of a covalently bonded Sn scaffold capped by Zn atoms. For both phases, the two types of layers are alternatingly stacked and interconnected via Zn-Sn bonds. SrZn{sub 2}Sn{sub 2} adopts the SrPd{sub 2}Bi{sub 2} structure type, and Ca{sub 2}Zn{sub 3}Sn{sub 6} is isotypic to the R{sub 2}Zn{sub 3}Ge{sub 6} compounds (R=La, Ce, Pr, Nd). Band structure calculations indicate that both SrZn{sub 2}Sn{sub 2} and Ca{sub 2}Zn{sub 3}Sn{sub 6} are metallic. Analyses of the chemical bonding with the electron localization function (ELF) show lone pair like basins at Sn atoms and Zn-Sn bonding interactions between the layers for both title phases, and covalent Sn-Sn bonding within the {l_brace}Sn{sub 4}Zn{r_brace} layers of Ca{sub 2}Zn{sub 3}Sn{sub 6}. - Graphical abstract: Crystal structures of the new Ae-Zn-Sn polar intermetallic phases SrZn{sub 2}Sn{sub 2} and Ca{sub 2}Zn{sub 3}Sn{sub 6}. Highlights: Black-Right-Pointing-Pointer New polar intermetallic phases SrZn{sub 2}Sn{sub 2} and Ca{sub 2}Zn{sub 3}Sn{sub 6}. Black-Right-Pointing-Pointer Obtained by high temperature reactions of the elements. Black-Right-Pointing-Pointer Single crystal XRD structure determination and DFT electronic structure calculations. Black-Right-Pointing-Pointer Closely related crystal and electronic structures. Black-Right-Pointing-Pointer Metallic conductivity coexisting with lone pairs and covalent bonding features.

  2. Temperature-dependent framework–template interaction of |Na{sub 6}(H{sub 2}O){sub 8}|[ZnPO{sub 4}]{sub 6} sodalite

    SciTech Connect (OSTI)

    Robben, Lars, E-mail: lrobben@uni-bremen.de; Gesing, Thorsten M.

    2013-11-15T23:59:59.000Z

    The partial dehydration followed by the decomposition of sodium-zincophosphate-hydrosodalite caused by the total water loss was examined by temperature-dependent X-ray powder diffraction, Fourier transform infrared (FTIR) and Raman spectroscopy as well as thermogravimetry combined with difference thermoanalysis. The dehydration causing the decomposition of this sodalite could be described in a two step-process. Initially two water molecules per unit-cell were lost, changing the interaction between the zincophosphate framework and the remaining water molecules as well as sodium cations as non-framework constituents. In this stage a 3+3 coordination of water molecules and sodium cations in the sodalite cage is observed. Using the autocorrelation function (AC) for the evaluation of the temperature-dependent FTIR spectra of sodalites is reported here for the first time. Calculating the changes in the AC broadness, structural features could well be analyzed due to its correlation with respective structural parameters. Temperature dependent Raman data was used to give a band assignment of bands at Raman shifts below 300 cm{sup ?1}. - Graphical abstract: The thermal decomposition of |Na{sub 6}(H{sub 2}O){sub 8}|[ZnPO{sub 4}]{sub 6} sodalite is a two-step process with an initial loss of two water molecules at 400 K, intermediately stabilizing the highly stressed framework. Further heating leads to a subsequent loss of the remaining six water molecules and a breakup of the sodalite framework. A beryllonite-type NaZnPO{sub 4} is the final product of this process. Display Omitted - Highlights: • The decomposition of |Na{sub 6}(H{sub 2}O){sub 8}|[ZnPO{sub 4}]{sub 6} sodalite is a two-step process. • Initial loss of two water molecule at 400 K stabilizes the sodalite (step 1). • Further heating leads to complete loss of water and structural breakdown. • Autocorrelation of temperature dependent FTIR-spectra gives structural information.

  3. A cluster with a mixed M{sub 6}X{sub 12}/M{sub 6}X{sub 8} environment: The La{sub 6}Cl{sub 11}Co structure

    SciTech Connect (OSTI)

    Zheng Chong, E-mail: czheng@niu.ed [Department of Chemistry and Biochemistry, Northern Illinois University, DeKalb, IL 60115 (United States); Mattausch, Hansjuergen; Hoch, Constantin; Simon, Arndt [Max-Planck-Institut fuer Festkoerperforschung, Heisenbergstrasse 1, D-70569 Stuttgart (Germany)

    2009-08-15T23:59:59.000Z

    The title compound was synthesized from La, LaCl{sub 3} and Co under Ar atmosphere at 800 deg. C. It crystallizes in space group P4{sub 2}/n (no. 86) with lattice constants a=11.308(2) A and c=14.441(3) A. The structure features an isolated Co-centered La{sub 6} octahedron with all corners and edges, and 2 of its 8 triangular faces coordinated by Cl atoms. The La{sub 6}Co octahedron is significantly distorted, and the La coordination by Cl atoms deviates from the common close-packing arrangements found in other reduced rare earth metal halides. Structure, bonding and physical properties of the compound have been investigated. - Graphical abstract: La{sub 6}Cl{sub 11}Co octahedron exhibiting a mixed M{sub 6}X{sub 12}/M{sub 6}X{sub 12} coordination environment.

  4. Reproduced with permission of the copyright owner. Further reproduction prohibited without permission. Estimating the Volatility of Wholesale Electricity Spot Prices in the US

    E-Print Network [OSTI]

    Marathe, Achla

    permission. Estimating the Volatility of Wholesale Electricity Spot Prices in the US Lester Hadsell; Achla

  5. Crystal-chemistry of mullite-type aluminoborates Al{sub 18}B{sub 4}O{sub 33} and Al{sub 5}BO{sub 9}: A stoichiometry puzzle

    SciTech Connect (OSTI)

    Fisch, Martin, E-mail: fisch@krist.unibe.c [Mineralogical Crystallography, Institute of Geological Sciences, University of Bern, Freiestrasse 3, CH-3012 Bern (Switzerland); Armbruster, Thomas [Mineralogical Crystallography, Institute of Geological Sciences, University of Bern, Freiestrasse 3, CH-3012 Bern (Switzerland); Rentsch, Daniel [EMPA, Swiss Federal Laboratories for Materials Science and Research, Laboratory for Functional Polymers, Uberlandstrasse 129, CH-8600 Duebendorf (Switzerland); Libowitzky, Eugen [Institut fuer Mineralogie und Kristallographie, Universitaet Wien - Geozentrum, Althanstrasse 14, A-1090 Wien (Austria); Pettke, Thomas [Rock-Water Interaction Group, Institute of Geological Sciences, University of Bern, Baltzerstrasse 1-3, CH-3012 Bern (Switzerland)

    2011-01-15T23:59:59.000Z

    Orthorhombic Al{sub 2}O{sub 3}-rich aluminoborate is an important ceramic material for which two slightly different compositions have been assumed: Al{sub 5}BO{sub 9} (5Al{sub 2}O{sub 3}:B{sub 2}O{sub 3}) and Al{sub 18}B{sub 4}O{sub 33} (9Al{sub 2}O{sub 3}:2B{sub 2}O{sub 3}). The formula Al{sub 18}B{sub 4}O{sub 33} (=Al{sub 4.91}B{sub 1.09}O{sub 9}) was derived from results of chemical analyses when crystal structure data were not yet available. Subsequent structural investigations indicated Al{sub 5}BO{sub 9} composition. Nevertheless, Al{sub 18}B{sub 4}O{sub 33} was still accepted as the correct stoichiometry assuming that additional B replaces 9% Al. Powder samples of both compositions and ones with excess boron were prepared by solid state reactions between {alpha}-Al{sub 2}O{sub 3} and B{sub 2}O{sub 3}/H{sub 3}BO{sub 3} at temperatures above 1100 {sup o}C and single-crystals were grown from flux at 1100 and 1550 {sup o}C. Products were investigated by single-crystal and powder XRD, {sup 11}B and {sup 27}Al solid-state MAS-NMR, Raman and FTIR spectroscopy as well as Laser-ablation ICP-MS. No indication of the predicted 9% B{yields}Al substitution was found. LA ICP-MS indicated 12.36(27) wt% B{sub 2}O{sub 3} corresponding to Al{sub 4.97}B{sub 1.03}O{sub 9}. Hence, the suggested Al{sub 18}B{sub 4}O{sub 33} stoichiometry can be excluded for all synthesized samples. A very low amount of Al vacancies at a five-fold coordinated site are likely, charge balanced by an additional nearby three-fold coordinated B site. All evidences indicate that the title compound should be reported as Al{sub 5-x}B{sub 1+x}O{sub 9} with x<0.038(6), which is close to Al{sub 5}BO{sub 9}. -- Graphical abstract: A chemical composition of Al{sub 18}B{sub 4}O{sub 33}=Al{sub 4.91}B{sub 1.09}O{sub 9}=9Al{sub 2}O{sub 3}:2B{sub 2}O{sub 3} has been assumed for mullite-type aluminoborate with Al{sub 5}BO{sub 9} structure. However, samples prepared by different routes showed compositions close to 5Al{sub 2}O{sub 3}:B{sub 2}O{sub 3}. Display Omitted

  6. Synthesis of hexagonal Zn{sub 3}(OH){sub 2}V{sub 2}O{sub 7}·2H{sub 2}O nanoplates by a hydrothermal approach: Magnetic and photocatalytic properties

    SciTech Connect (OSTI)

    Wang, Fangfang; Wu, Wenbin; Sun, Xiujuan [College of Chemistry, Northeast Normal University, Changchun 130024 (China); Song, Shuyan [State Key Laboratory of Rare Earth Resource Utilizations, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Xing, Yan, E-mail: xingy202@nenu.edu.cn [College of Chemistry, Northeast Normal University, Changchun 130024 (China); Wang, Jiawei; Yu, Donghui; Su, Zhongmin [College of Chemistry, Northeast Normal University, Changchun 130024 (China)

    2013-12-15T23:59:59.000Z

    Hexagonal Zn{sub 3}(OH){sub 2}V{sub 2}O{sub 7}·2H{sub 2}O nanoplates have been successfully synthesized via a facile and template-free hydrothermal method. The nanocrystals have a hexagonal shape with 650–750 nm in diameter and 120–140 nm in thickness. The possible mechanism of forming such hexagonal Zn{sub 3}(OH){sub 2}V{sub 2}O{sub 7}·2H{sub 2}O nanoplates may be due to its inherent anisotropic crystal structure. Magnetic hysteresis measurement indicates that the as-synthesized hexagonal Zn{sub 3}(OH){sub 2}V{sub 2}O{sub 7}·2H{sub 2}O nanoplates have weak ferromagnetic property at room temperature. Compared to the floriated-like nanostructured Zn{sub 3}V{sub 2}O{sub 7}(OH){sub 2}(H{sub 2}O){sub 2} synthesized by a hydrothermal route, the as-prepared hexagonal Zn{sub 3}(OH){sub 2}V{sub 2}O{sub 7}·2H{sub 2}O nanoplates exhibited a significant increase in the methylene blue (MB) photodegradation rate under UV irradiation. Highlights: • Hexagonal Zn{sub 3}(OH){sub 2}V{sub 2}O{sub 7}·2H{sub 2}O nanoplates was synthesized via a hydrothermal method. • Magnetic study indicates that the nanoplates are of weak ferromagnetic property at room temperature. • The nanoplates exhibit greatly enhanced activity in the UV-light photocatalytic degradation of methylene blue.

  7. Alternative current conduction mechanisms of organic-inorganic compound [N(CH{sub 3}){sub 3}H]{sub 2}ZnCl{sub 4}

    SciTech Connect (OSTI)

    Ben Bechir, M., E-mail: mohamedbenbechir@hotmail.fr; Karoui, K.; Guidara, K.; Ben Rhaiem, A. [Laboratory of Condensed Matter, Faculty of Sciences, University of Sfax, BP1171, 3018 Sfax (Tunisia); Tabellout, M. [LUNAM Université, Université du Maine, CNRS UMR 6283, Institut des Molécules et Matériaux du Mans (IMMM), Avenue Olivier Messiaen, F-72085, Le Mans Cedex 09 (France)

    2014-04-21T23:59:59.000Z

    [N(CH{sub 3}){sub 3}H]{sub 2}ZnCl{sub 4} has been studied by X-ray powder diffraction patterns, differential scanning calorimetry (DSC), and impedance spectroscopy. The [N(CH{sub 3}){sub 3}H]{sub 2}ZnCl{sub 4} hybrid compound is crystallized at room temperature (T ? 300?K) in the orthorhombic system with Pnma space group. Five phase transitions (T{sub 1}?=?255?K, T{sub 2}?=?282?K, T{sub 3}?=?302?K, T{sub 4}?=?320?K, and T{sub 5}?=?346?K) have been proved by DSC measurements. The electrical technique was measured in the 10{sup ?1}-10{sup 7}?Hz frequency range and 233–363?K temperature interval. The frequency dependence of alternative current (AC) conductivity is interpreted in terms of Jonscher's law. The AC electrical conduction in [N(CH{sub 3}){sub 3}H]{sub 2}ZnCl{sub 4} is analyzed by different processes, which can be attributed to several models: the correlated barrier hopping model in phase I, the overlapping large polaron tunneling model in phase II, the quantum mechanical tunneling model in phase IV, and the non-overlapping small polaron tunneling model in phases III, V, and VI. The conduction mechanism is studied with the help of Elliot's theory, and the Elliot's parameters are determined.

  8. Alternative current conduction mechanisms of organic-inorganic compound [N(CH{sub 3}){sub 3}H]{sub 2}CuCl{sub 4}

    SciTech Connect (OSTI)

    Ben Bechir, M., E-mail: mohamedbenbechir@hotmail.fr; Karoui, K.; Guidara, K.; Ben Rhaiem, A. [Laboratory of Condensed Matter, Faculty of Sciences, University of Sfax, BP1171, 3018 Sfax (Tunisia); Tabellout, M. [LUNAM Université, Université du Maine, CNRS UMR 6283, Institut des Molécules et Matériaux du Mans (IMMM), Avenue Olivier Messiaen, F-72085 Le Mans Cedex 09 (France)

    2014-05-28T23:59:59.000Z

    The [N(CH{sub 3}){sub 3}H]{sub 2}CuCl{sub 4} single crystal has been analyzed by X-ray powder diffraction patterns, differential scanning calorimetry (DSC), and electrical impedance spectroscopy. [N(CH{sub 3}){sub 3}H]{sub 2}CuCl{sub 4} crystallizes at room temperature in the monoclinic system with P2{sub 1}/{sub C} space group. Three phase transitions at T{sub 1}?=?226?K, T{sub 2}?=?264?K, and T{sub 3}?=?297?K have been evidenced by DSC measurements. The electrical technique was measured in the 10{sup ?1}–10{sup 7}?Hz frequency range and 203–313?K temperature intervals. The frequency dependence of alternative current (AC) conductivity is interpreted in terms of Jonscher's law (developed). The AC electrical conduction in [N(CH{sub 3}){sub 3}H]{sub 2}CuCl{sub 4} compound is studied by two processes which can be attributed to a hopping transport mechanism: the correlated barrier hopping model in phases I, II, and III, the non-overlapping small polaron tunneling model in phase IV. The conduction mechanism is interpreted with the help of Elliot's theory, and the Elliot's parameters are found.

  9. Preparation of magnetic Fe{sub 3}O{sub 4}/SiO{sub 2}/Bi{sub 2}WO{sub 6} microspheres and their application in photocatalysis

    SciTech Connect (OSTI)

    Chen, Su-Hua; Yin, Zhen [Key Laboratory of Jiangxi Province for Ecological Diagnosis-Remediation and Pollution Control, Nanchang Hangkong University, Nanchang 330063 (China)] [Key Laboratory of Jiangxi Province for Ecological Diagnosis-Remediation and Pollution Control, Nanchang Hangkong University, Nanchang 330063 (China); Luo, Sheng-Lian, E-mail: sllou@hnu.edu.cn [Key Laboratory of Jiangxi Province for Ecological Diagnosis-Remediation and Pollution Control, Nanchang Hangkong University, Nanchang 330063 (China)] [Key Laboratory of Jiangxi Province for Ecological Diagnosis-Remediation and Pollution Control, Nanchang Hangkong University, Nanchang 330063 (China); Au, Chak-Tong [Key Laboratory of Jiangxi Province for Ecological Diagnosis-Remediation and Pollution Control, Nanchang Hangkong University, Nanchang 330063 (China) [Key Laboratory of Jiangxi Province for Ecological Diagnosis-Remediation and Pollution Control, Nanchang Hangkong University, Nanchang 330063 (China); Department of Chemistry, Hong Kong Baptist University, Kowloon Tong, Hong Kong (China); Li, Xue-Jun [Key Laboratory of Jiangxi Province for Ecological Diagnosis-Remediation and Pollution Control, Nanchang Hangkong University, Nanchang 330063 (China)] [Key Laboratory of Jiangxi Province for Ecological Diagnosis-Remediation and Pollution Control, Nanchang Hangkong University, Nanchang 330063 (China)

    2013-02-15T23:59:59.000Z

    Graphical abstract: Display Omitted Highlights: ? We described the preparation and characterization of the Fe{sub 3}O{sub 4}/SiO{sub 2}/Bi{sub 2}WO{sub 6} magnetic microspheres composites. ? The photocatalytic activities of the composites were also investigated. ? With the combination of photocatalysts and Fe{sub 3}O{sub 4}/SiO{sub 2}, good stability and magnetic separability can be achieved. ? And to the best of our knowledge, this is the first report concerning Bi{sub 2}WO{sub 6} nanoparticles loaded on Fe{sub 3}O{sub 4}/SiO{sub 2} particles. -- Abstract: Magnetic Fe{sub 3}O{sub 4}/SiO{sub 2}/Bi{sub 2}WO{sub 6} microspheres with photocatalytic properties have been synthesized using a silica layer for “bonding” (adhering Bi{sub 2}WO{sub 6} to Fe{sub 3}O{sub 4}). The morphology, composition and magnetic properties of the Fe{sub 3}O{sub 4}/SiO{sub 2}/Bi{sub 2}WO{sub 6} composites were characterized by X-ray diffraction, transmission electron microscopy, Fourier transform infrared spectroscopy, vibrating sample magnetometry, and BET surface area analysis. The activity of the material in photocatalytic decoloration of aqueous rhodamine B (RhB) solution under visible light was evaluated. The results showed that Bi{sub 2}WO{sub 6} combined well with the magnetic Fe{sub 3}O{sub 4}/SiO{sub 2} nanoparticles. The Fe{sub 3}O{sub 4}/SiO{sub 2}/Bi{sub 2}WO{sub 6} composites were spherical in shape, having a mean size of 2 ?m. The spent catalyst could be recycled with only slight decline in catalytic activity. It is envisaged that the stability, reusability, and magnetic nature of the Fe{sub 3}O{sub 4}/SiO{sub 2}/Bi{sub 2}WO{sub 6} catalyst warrants its application in photocatalysis.

  10. Volatility of hotel market fundamentals and the determinants of variations between markets

    E-Print Network [OSTI]

    Cason, Brian (Brian Paul)

    2010-01-01T23:59:59.000Z

    How can volatility as well as other dynamics and characteristics in hotel market fundamentals affecting risk be better understood? This paper explores that fundamental question along with other more specific questions that ...

  11. HOW TO DISTINGUISH BETWEEN CLOUDY MINI-NEPTUNES AND WATER/VOLATILE-DOMINATED SUPER-EARTHS

    E-Print Network [OSTI]

    Benneke, Björn

    One of the most profound questions about the newly discovered class of low-density super-Earths is whether these exoplanets are predominately H2-dominated mini-Neptunes or volatile-rich worlds with gas envelopes dominated ...

  12. The Effect of Growth Volatility on Income Inequality Ho-Chuan (River) Huang

    E-Print Network [OSTI]

    Ahmad, Sajjad

    positively affects growth. Barro (2000) uncovers a nonlinear inequality-growth nexus, with inequality growth in low-income ones. Rather than examining the volatility-growth or the inequality-growth linkages

  13. Measurements of Volatile Organic Compounds Using Proton Transfer Reaction - Mass Spectrometry during the MILAGRO 2006 Campaign

    E-Print Network [OSTI]

    Fortner, E. C.

    Volatile organic compounds (VOCs) were measured by proton transfer reaction – mass spectrometry (PTR-MS) on a rooftop in the urban mixed residential and industrial area North Northeast of downtown Mexico City as part of ...

  14. A statistical analysis of the natural gas futures market : the interplay of sentiment, volatility and prices

    E-Print Network [OSTI]

    Fazzio, Thomas J. (Thomas Joseph)

    2010-01-01T23:59:59.000Z

    This paper attempts to understand the price dynamics of the North American natural gas market through a statistical survey that includes an analysis of the variables influencing the price and volatility of this energy ...

  15. Ionic conductivity and the formation of cubic CaH{sub 2} in the LiBH{sub 4}–Ca(BH{sub 4}){sub 2} composite

    SciTech Connect (OSTI)

    Sveinbjörnsson, Dadi; Blanchard, Didier [Department of Energy Conversion and Storage, Technical University of Denmark, Frederiksborgvej 399, P.O. Box 49, DK-4000 Roskilde (Denmark); Myrdal, Jon Steinar Gardarsson [Department of Energy Conversion and Storage, Technical University of Denmark, Frederiksborgvej 399, P.O. Box 49, DK-4000 Roskilde (Denmark); Center for Atomic-Scale Materials Design, Department of Physics, Technical University of Denmark, Anker Engelunds Vej 1, DK-2800 Lyngby (Denmark); Younesi, Reza; Viskinde, Rasmus [Department of Energy Conversion and Storage, Technical University of Denmark, Frederiksborgvej 399, P.O. Box 49, DK-4000 Roskilde (Denmark); Riktor, Marit Dalseth [Physics Department, Institute for Energy Technology, Instituttveien 18, P.O. Box 40, NO-2027 Kjeller (Norway); Norby, Poul [Department of Energy Conversion and Storage, Technical University of Denmark, Frederiksborgvej 399, P.O. Box 49, DK-4000 Roskilde (Denmark); Vegge, Tejs, E-mail: teve@dtu.dk [Department of Energy Conversion and Storage, Technical University of Denmark, Frederiksborgvej 399, P.O. Box 49, DK-4000 Roskilde (Denmark)

    2014-03-15T23:59:59.000Z

    LiBH{sub 4}–Ca(BH{sub 4}){sub 2} composites were prepared by ball milling. Their crystal structures and phase composition were investigated using synchrotron X-ray diffraction and Rietveld refinement, and their ionic conductivity was measured using impedance spectroscopy. The materials were found to form a physical mixture. The composites were composed of ?-Ca(BH{sub 4}){sub 2}, ?-Ca(BH{sub 4}){sub 2} and orthorhombic LiBH{sub 4}, and the relative phase quantities of the Ca(BH{sub 4}){sub 2} polymorphs varied significantly with LiBH{sub 4} content. The formation of small amounts of orthorhombic CaH{sub 2} and cubic CaH{sub 2} in a CaF{sub 2}-like structure was observed upon heat treatment. Concurrent formation of elemental boron may also occur. The ionic conductivity of the composites was measured using impedance spectroscopy, and was found to be lower than that of ball milled LiBH{sub 4}. Electronic band structure calculations indicate that cubic CaH{sub 2} with hydrogen defects is electronically conducting. Its formation along with the possible precipitation of boron therefore has an effect on the measured conductivity of the LiBH{sub 4}–Ca(BH{sub 4}){sub 2} composites and may increase the risk of an internal short-circuit in the cells. -- Graphical abstract: An Arrhenius plot of the ionic conductivity of the LiBH{sub 4}–Ca(BH{sub 4}){sub 2} composites (red, blue, green). The ionic conductivity of ball milled (gray) and non-milled (black) LiBH{sub 4} is shown for comparison. The filled symbols are measured during heating runs and the empty symbols are measured during subsequent cooling runs. The conductivity of the composites is in all cases higher during cooling, most probably due to the formation of an electronically conducting layer containing defect-rich cubic CaH{sub 2}. Such layer formation could eventually lead to a short circuit in the cell and reveals a general issue of chemical stability that should be attended to in the development of solid electrolyte materials. Highlights: • The LiBH{sub 4}–Ca(BH{sub 4}){sub 2} composite forms a physical mixture rather than a solid solution. • The formation of defect-rich, cubic CaH{sub 2} in a CaF{sub 2}-like structure is observed. • A new layer containing cubic CaH{sub 2} is conducting and may lead to a short-circuit.

  16. Mechanical properties of fiber-reinforced YBa{sub 2}Cu{sub 3}O{sub x} and Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub x} bars

    SciTech Connect (OSTI)

    Goretta, K.C.; Martin, L.J.; Singh, D.; Poeppel, R.B.; Chen, Nan; Chu, C.Y.; Routbort, J.C. [Argonne National Lab., IL (United States); Gleixner, R.A. [Babcock and Wilcox Co., Alliance, OH (United States)

    1993-07-01T23:59:59.000Z

    Strength in four-point bending and fracture toughness of YBa{sub 2}Cu{sub 3}O{sub x} (123) and Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub x} (2212) were examined at room temperature. The 123 was reinforced with 15 vol.% Y{sub 2}BaCuO{sub 5} (211) fibers and was processed to 90--91% density by cold pressing and sintering. The 2212 was reinforced with 15 vol.% 2212 fibers and was processed to {approx}90% density by sinter forging. The 123/211 composites had a fracture toughness of 1.9 MPa(m){sup 0.5}, which is 20--30% higher than that of corresponding monoliths, but exhibited no improvement in strength. The strength and fracture toughness of the 2212/2212 composites were 102 MPa and 2.7 MPa(m){sup 0.5}, respectively, which were slight improvements over the monoliths. Transport critical current densities at 77 K were only slightly affected by the fiber additions.

  17. Synthesis, crystal structure, spectroscopic and thermal properties of [Et{sub 4}N][Ta{sub 6}Br{sub 12}(H{sub 2}O){sub 6}]Br{sub 4}.4H{sub 2}O (Et=ethyl)-A new compound with the paramagnetic [Ta{sub 6}Br{sub 12}]{sup 3+} cluster core

    SciTech Connect (OSTI)

    Peric, Berislav, E-mail: bperic@irb.h [Ruder Boskovic Institute, Bijenicka cesta 54, 10000 Zagreb (Croatia); Jozic, Drazan [Ruder Boskovic Institute, Bijenicka cesta 54, 10000 Zagreb (Croatia); Planinic, Pavica, E-mail: planinic@irb.h [Ruder Boskovic Institute, Bijenicka cesta 54, 10000 Zagreb (Croatia); Brnicevic, Nevenka [Ruder Boskovic Institute, Bijenicka cesta 54, 10000 Zagreb (Croatia); Giester, Gerald [Institut fuer Mineralogie und Kristallographie, Universitaet Wien-Geozentrum Althanstrasse, 14, 1090 Wien (Austria)

    2009-09-15T23:59:59.000Z

    A new hexanuclear cluster compound, [Et{sub 4}N][Ta{sub 6}Br{sub 12}(H{sub 2}O){sub 6}]Br{sub 4}.4H{sub 2}O (Et=ethyl) (1), with the paramagnetic [Ta{sub 6}Br{sub 12}]{sup 3+} cluster entity, was synthesized and characterized by elemental and TG/DTA analyses, IR and UV/Vis spectroscopy and by a single-crystal X-ray diffraction study. The presence of the paramagnetic [Ta{sub 6}Br{sub 12}]{sup 3+} unit was confirmed also by the room-temperature magnetic and EPR measurements. The compound crystallizes in the tetragonal I4{sub 1}/a space group, with a=14.299(5), c=21.241(5) A, Z=4, R{sub 1}(F)/wR{sub 2}(F{sup 2})=0.0296/0.0811. The structure contains discrete [Ta{sub 6}Br{sub 12}(H{sub 2}O){sub 6}]{sup 3+} cations with an octahedron of metal atoms edge-bridged by bromine atoms and with water molecules occupying all six terminal positions. The cluster units are positioned in the vertices of the three-dimensional (pseudo)diamond lattice. The structure shows similarities with literature reported structures of cluster compounds crystallizing in the diamond (Fd3-barm) space group. - Graphical abstract: Two interpenetrating (pseudo)diamond nets formed by packing of the paramagnetic [Ta{sub 6}Br{sub 12}(H{sub 2}O)]{sup 3+} (octahedral) and diamagnetic [Et{sub 4}N]{sup +} (spheres) cations.

  18. Electronic Phase Separation in Pr sub 1 sub x (Ca, Sr) sub x MnO sub 3 subdelta and Tunneling Magnetoresistance in Sr sub 2 FeMoO sub 6

    E-Print Network [OSTI]

    Niebieskikwiat, D G

    2003-01-01T23:59:59.000Z

    In this work, we approach two aspects of the physics of magnetic perovskites presenting colossal magnetoresistance (CMR). Firstly, we go deeply into the phase separation (PS) between the ferromagnetic (FM) metallic state and the antiferro-magnetic (AFM) charge ordered (CO) insulating state, in manganites of the type Pr sub 1 sub x (Ca,Sr) sub x MnO sub 3 subdelta. Secondly, and more briefly, we analyze the problem of the influence of the grain boundary insulating barriers on the tunneling magnetoresistance in the Sr sub 2 FeMoO sub 6 double perovskite.The use of different measurement techniques allowed us to make a complete characterization of the PS state in the compounds Pr sub 0.65Ca sub 0 sub . sub 3 sub 5 sub - sub y Sr sub y MnO sub 3 for 0 ) keeping constant the carrier concentration (x = 0.35). This material presents an evolution from a CO insulating phase for small (y =0), towards the FM metallic phase for large (y = 0.20). In t

  19. Advanced heat pump for the recovery of volatile organic compounds

    SciTech Connect (OSTI)

    Not Available

    1992-03-01T23:59:59.000Z

    Emissions of Volatile Organic Compounds (VOC) from stationary industrial and commercial sources represent a substantial portion of the total US VOC emissions. The Toxic-Release Inventory'' of The US Environmental Protection Agency estimates this to be at about 3 billion pounds per year (1987 estimates). The majority of these VOC emissions are from coating processes, cleaning processes, polymer production, fuel production and distribution, foam blowing,refrigerant production, and wood products production. The US Department of Energy's (DOE) interest in the recovery of VOC stems from the energy embodied in the recovered solvents and the energy required to dispose of them in an environmentally acceptable manner. This Phase I report documents 3M's work in close working relationship with its subcontractor Nuclear Consulting Services (Nucon) for the preliminary conceptual design of an advanced Brayton cycle heat pump for the recovery of VOC. Nucon designed Brayton cycle heat pump for the recovery of methyl ethyl ketone and toluene from coating operations at 3M Weatherford, OK, was used as a base line for the work under cooperative agreement between 3M and ODE. See appendix A and reference (4) by Kovach of Nucon. This cooperative agreement report evaluates and compares an advanced Brayton cycle heat pump for solvent recovery with other competing technologies for solvent recovery and reuse. This advanced Brayton cycle heat pump is simple (very few components), highly reliable (off the shelf components), energy efficient and economically priced.

  20. Processing & properties La{sub 1-x}A{sub x}Co{sub 1-y}Fe{sub y}O{sub 3}(A = Sr, Ca) perovskites

    SciTech Connect (OSTI)

    Stevenson, J.W.; Armstrong, T.R.; Pederson, L.R. [and others

    1995-04-01T23:59:59.000Z

    Selected compositions within the system La{sub 1-x}A{sub x}Co{sub 1-y}Fe{sub y}O{sub 3-{delta}}(A = Sr, Ca) were prepared by combustion synthesis and characterized by XRD, TGA, electrical conductivity, and oxygen permeation measurements. Substantial weight loss (due to loss of lattice oxygen) was observed in some compositions at high temperatures. For Sr containing materials, this weight loss increased with increasing Sr content. A substantial decrease in electronic conductivity was observed at high temperatures in Sr doped materials; this decrease was related to the decreased oxygen stoichiometry at these temperatures. In Sr doped compositions, oxygen flux increased with increasing Sr content. Calculated values of ionic conductivity were greater than the conductivity of yttria stabilized zirconia. Substitution of Ca for Sr resulted in substantially lower fluxes.

  1. The performance of a volatile oil reservoir overlain by a gas cap 

    E-Print Network [OSTI]

    Ellis, Joseph Ralph, Jr

    1960-01-01T23:59:59.000Z

    THE PERFORMANCE OF A VOLATILE OIL RESERVOIR OVERLAIN BY A GAS CAP A Thesis By J. RALPH ELLIS, JR. Submitted to the Graduate School of the Agricultural and Mechanical College of Texas in partial fulfillment of the requirements for the degree... of MASTER OF SCIENCE August, 1960 Major Subject: PETROLEUM ENGINEERING THE PERFORMANCE OF A VOLATILE OIL RESERVOIR OVERLAIN BY A GAS CAP A Thesis By J. RALPH ELLIS, JR. Approved as to style and content by: hairxnan of Coxnxnittee) (Head...

  2. The performance of a volatile oil reservoir overlain by a gas cap

    E-Print Network [OSTI]

    Ellis, Joseph Ralph, Jr

    1960-01-01T23:59:59.000Z

    THE PERFORMANCE OF A VOLATILE OIL RESERVOIR OVERLAIN BY A GAS CAP A Thesis By J. RALPH ELLIS, JR. Submitted to the Graduate School of the Agricultural and Mechanical College of Texas in partial fulfillment of the requirements for the degree... of MASTER OF SCIENCE August, 1960 Major Subject: PETROLEUM ENGINEERING THE PERFORMANCE OF A VOLATILE OIL RESERVOIR OVERLAIN BY A GAS CAP A Thesis By J. RALPH ELLIS, JR. Approved as to style and content by: hairxnan of Coxnxnittee) (Head...

  3. Identification and evaluation of volatile compounds associated with vacuum and modified atmosphere packaged fresh red meats

    E-Print Network [OSTI]

    Jackson, Timothy Court

    1989-01-01T23:59:59.000Z

    IDENTIFICATION AND EVALUATION OF VOLATILE COMPOUNDS ASSOCIATED WITH VACUUM AND MODIFIED ATMOSPHERE PACKAGED FRESH RED MEATS A Thesis by TIMOTHY COURT JACKSON Submitted to the Office of Graduate Studies of Texas A&M University in partial... fulfillment of the requirements for the degree of MASTER OF SCIENCE August 1989 Major Subject: Food Science and Technology IDENTIFICATION AND EVALUATION OF VOLATILE COMPOUNDS ASSOCIATED WITH VACUUM AND MODIFIED ATMOSPHERE PACKAGED FRESH RED MEATS A...

  4. Short-Term Energy Outlook Supplement: Energy Price Volatility and Forecast Uncertainty

    Reports and Publications (EIA)

    2009-01-01T23:59:59.000Z

    It is often noted that energy prices are quite volatile, reflecting market participants' adjustments to new information from physical energy markets and/or markets in energy-related financial derivatives. Price volatility is an indication of the level of uncertainty, or risk, in the market. This paper describes how markets price risk and how the marketclearing process for risk transfer can be used to generate "price bands" around observed futures prices for crude oil, natural gas, and other commodities.

  5. Observation of ?<sub>c1sub> Decays into Vector Meson Pairs ??, ?? and, ??

    SciTech Connect (OSTI)

    Ablikim, M.; Achasov, M. N.; An, L.; An, Q.; An, Z. H.; Bai, J. Z.; Baldini, R.; Ban, Y.; Becker, J.; Berger, N.; Bertani, M.; Bian, J. M.; Bondarenko, O.; Boyko, I.; Briere, R. A.; Bytev, V.; Cai, X.; Cao, G. F.; Cao, X. X.; Chang, J. F.; Chelkov, G.; Chen, G.; Chen, H. S.; Chen, J. C.; Chen, M. L.; Chen, S. J.; Chen, Y.; Chen, Y. B.; Cheng, H. P.; Chu, Y. P.; Cronin-Hennessy, D.; Dai, H. L.; Dai, J. P.; Dedovich, D.; Deng, Z. Y.; Denysenko, I.; Destefanis, M.; Ding, Y.; Dong, L. Y.; Dong, M. Y.; Du, S. X.; Duan, M. Y.; Fan, R. R.; Fang, J.; Fang, S. S.; Feng, C. Q.; Fu, C. D.; Fu, J. L.; Gao, Y.; Geng, C.; Goetzen, K.; Gong, W. X.; Greco, M.; Grishin, S.; Gu, M. H.; Gu, Y. T.; Guan, Y. H.; Guo, A. Q.; Guo, L. B.; Guo, Y. P.; Hao, X. Q.; Harris, F. A.; He, K. L.; He, M.; He, Z. Y.; Heng, Y. K.; Hou, Z. L.; Hu, H. M.; Hu, J. F.; Hu, T.; Huang, B.; Huang, G. M.; Huang, J. S.; Huang, X. T.; Huang, Y. P.; Hussain, T.; Ji, C. S.; Ji, Q.; Ji, X. B.; Ji, X. L.; Jia, L. K.; Jiang, L. L.; Jiang, X. S.; Jiao, J. B.; Jiao, Z.; Jin, D. P.; Jin, S.; Jing, F. F.; Kavatsyuk, M.; Komamiya, S.; Kuehn, W.; Lange, J. S.; Leung, J. K. C.; Li, Cheng; Li, Cui; Li, D. M.; Li, F.; Li, G.; Li, H. B.; Li, J. C.; Li, Lei; Li, N. B.; Li, Q. J.; Li, W. D.; Li, W. G.; Li, X. L.; Li, X. N.; Li, X. Q.; Li, X. R.; Li, Z. B.; Liang, H.; Liang, Y. F.; Liang, Y. T.; Liao, G. R.; Liao, X. T.; Liu, B. J.; Liu, B. J.; Liu, C. L.; Liu, C. X.; Liu, C. Y.; Liu, F. H.; Liu, Fang; Liu, Feng; Liu, G. C.; Liu, H.; Liu, H. B.; Liu, H. M.; Liu, H. W.; Liu, J. P.; Liu, K.; Liu, K. Y.; Liu, Q.; Liu, S. B.; Liu, X.; Liu, X. H.; Liu, Y. B.; Liu, Y. W.; Liu, Yong; Liu, Z. A.; Liu, Z. Q.; Loehner, H.; Lu, G. R.; Lu, H. J.; Lu, J. G.; Lu, Q. W.; Lu, X. R.; Lu, Y. P.; Luo, C. L.; Luo, M. X.; Luo, T.; Luo, X. L.; Ma, C. L.; Ma, F. C.; Ma, H. L.; Ma, Q. M.; Ma, T.; Ma, X.; Ma, X. Y.; Maggiora, M.; Malik, Q. A.; Mao, H.; Mao, Y. J.; Mao, Z. P.; Messchendorp, J. G.; Min, J.; Mitchell, R. E.; Mo, X. H.; Muchnoi, N. Yu.; Nefedov, Y.; Ning, Z.; Olsen, S. L.; Ouyang, Q.; Pacetti, S.; Pelizaeus, M.; Peters, K.; Ping, J. L.; Ping, R. G.; Poling, R.; Pun, C. S. J.; Qi, M.; Qian, S.; Qiao, C. F.; Qin, X. S.; Qiu, J. F.; Rashid, K. H.; Rong, G.; Ruan, X. D.; Sarantsev, A.; Schulze, J.; Shao, M.; Shen, C. P.; Shen, X. Y.; Sheng, H. Y.; Shepherd, M. R.; Song, X. Y.; Sonoda, S.; Spataro, S.; Spruck, B.; Sun, D. H.; Sun, G. X.; Sun, J. F.; Sun, S. S.; Sun, X. D.; Sun, Y. J.; Sun, Y. Z.; Sun, Z. J.; Sun, Z. T.; Tang, C. J.; Tang, X.; Tang, X. F.; Tian, H. L.; Toth, D.; Varner, G. S.; Wan, X.; Wang, B. Q.; Wang, K.; Wang, L. L.; Wang, L. S.; Wang, M.; Wang, P.; Wang, P. L.; Wang, Q.; Wang, S. G.; Wang, X. L.; Wang, Y. D.; Wang, Y. F.; Wang, Y. Q.; Wang, Z.; Wang, Z. G.; Wang, Z. Y.; Wei, D. H.; Wen, Q. G.; Wen, S. P.; Wiedner, U.; Wu, L. H.; Wu, N.; Wu, W.; Wu, Z.; Xiao, Z. J.; Xie, Y. G.; Xu, G. F.; Xu, G. M.; Xu, H.; Xu, Y.; Xu, Z. R.; Xu, Z. Z.; Xue, Z.; Yan, L.; Yan, W. B.; Yan, Y. H.; Yang, H. X.; Yang, M.; Yang, T.; Yang, Y.; Yang, Y. X.; Ye, M.; Ye, M. H.; Yu, B. X.; Yu, C. X.; Yu, L.; Yuan, C. Z.; Yuan, W. L.; Yuan, Y.; Zafar, A. A.; Zallo, A.; Zeng, Y.; Zhang, B. X.; Zhang, B. Y.; Zhang, C. C.; Zhang, D. H.; Zhang, H. H.; Zhang, H. Y.; Zhang, J.; Zhang, J. W.; Zhang, J. Y.; Zhang, J. Z.; Zhang, L.; Zhang, S. H.; Zhang, T. R.; Zhang, X. J.; Zhang, X. Y.; Zhang, Y.; Zhang, Y. H.; Zhang, Z. P.; Zhang, Z. Y.; Zhao, G.; Zhao, H. S.; Zhao, Jiawei; Zhao, Jingwei; Zhao, Lei; Zhao, Ling; Zhao, M. G.; Zhao, Q.; Zhao, S. J.; Zhao, T. C.; Zhao, X. H.; Zhao, Y. B.; Zhao, Z. G.; Zhao, Z. L.; Zhemchugov, A.; Zheng, B.; Zheng, J. P.; Zheng, Y. H.; Zheng, Z. P.; Zhong, B.; Zhong, J.; Zhong, L.; Zhou, L.; Zhou, X. K.; Zhou, X. R.; Zhu, C.; Zhu, K.; Zhu, K. J.; Zhu, S. H.; Zhu, X. L.; Zhu, X. W.; Zhu, Y. S.; Zhu, Z. A.; Zhuang, J.; Zou, B. S.; Zou, J. H.; Zuo, J. X.; Zweber, P.

    2011-08-01T23:59:59.000Z

    Using (106±4)×10? ?(3686) events accumulated with the BESIII detector at the BEPCII e?e? collider, we present the first measurement of decays of ?<sub>c1sub> to vector meson pairs ??, ??, and ??. The branching fractions are measured to be (4.4±0.3±0.5)×10??, (6.0±0.3±0.7)×10??, and (2.2±0.6±0.2)×10??, for ?<sub>c1sub> ???, ??, and ??, respectively, which indicates that the hadron helicity selection rule is significantly violated in ?<sub>cJ> decays. In addition, the measurement of ?<sub>cJ>??? provides the first indication of the rate of doubly OZI-suppressed ?<sub>cJ> decay. Finally, we present improved measurements for the branching fractions of ?<sub>c0sub> and ?<sub>c2sub> to vector meson pairs.

  6. Silicon etch using SF{sub 6}/C{sub 4}F{sub 8}/Ar gas mixtures

    SciTech Connect (OSTI)

    Bates, Robert L., E-mail: rlb043000@utdallas.edu [University of Texas at Dallas, Natural Science and Engineering Laboratory (NSERL), Rm. 3.422, P.O. Box 830688, Richardson, Texas 75083 (United States); Stephan Thamban, P. L. [Department of Mechanical Engineering, University of Texas Dallas, Natural Science and Engineering Laboratory (NSERL), P.O. Box 830688, Richardson, Texas 75083 (United States); Goeckner, Matthew J. [Department of Mathematics, University of Texas Dallas, Natural Science and Engineering Laboratory (NSERL), Rm. 3.408, P.O. Box 830688, Mailstop FO35, Richardson, Texas 75083 (United States); Overzet, Lawrence J. [Department of Electrical Engineering, University of Texas Dallas, Natural Science and Engineering Laboratory (NSERL), Rm. 3.404, P.O. Box 830688, Mailstop RH10, Richardson, Texas 75083 (United States)

    2014-07-01T23:59:59.000Z

    While plasmas using mixtures of SF{sub 6}, C{sub 4}F{sub 8}, and Ar are widely used in deep silicon etching, very few studies have linked the discharge parameters to etching results. The authors form such linkages in this report. The authors measured the optical emission intensities of lines from Ar, F, S, SF{sub x}, CF{sub 2}, C{sub 2}, C{sub 3}, and CS as a function of the percentage C{sub 4}F{sub 8} in the gas flow, the total gas flow rate, and the bias power. In addition, the ion current density and electron temperature were measured using a floating Langmuir probe. For comparison, trenches were etched of various widths and the trench profiles (etch depth, undercut) were measured. The addition of C{sub 4}F{sub 8} to an SF{sub 6}/Ar plasma acts to reduce the availability of F as well as increase the deposition of passivation film. Sulfur combines with carbon in the plasma efficiently to create a large optical emission of CS and suppress optical emissions from C{sub 2} and C{sub 3}. At low fractional flows of C{sub 4}F{sub 8}, the etch process appears to be controlled by the ion flux more so than by the F density. At large C{sub 4}F{sub 8} fractional flows, the etch process appears to be controlled more by the F density than by the ion flux or deposition rate of passivation film. CF{sub 2} and C{sub 2} do not appear to cause deposition from the plasma, but CS and other carbon containing molecules as well as ions do.

  7. A novel technique for measurement of thermal rate constants and temperature dependences of dissociative recombination: CO{sub 2}{sup +}, CF{sub 3}{sup +}, N{sub 2}O{sup +}, C{sub 7}H{sub 8}{sup +}, C{sub 7}H{sub 7}{sup +}, C{sub 6}H{sub 6}{sup +}, C{sub 6}H{sub 5}{sup +}, C{sub 5}H{sub 6}{sup +}, C{sub 4}H{sub 4}{sup +}, and C{sub 3}H{sub 3}{sup +}

    SciTech Connect (OSTI)

    Fournier, Joseph A.; Shuman, Nicholas S.; Melko, Joshua J.; Ard, Shaun G.; Viggiano, Albert A. [Air Force Research Laboratory, Space Vehicles Directorate, Kirtland Air Force Base, New Mexico 87117 (United States)

    2013-04-21T23:59:59.000Z

    A novel technique using a flowing afterglow-Langmuir probe apparatus for measurement of temperature dependences of rate constants for dissociative recombination (DR) is presented. Low ({approx}10{sup 11} cm{sup -3}) concentrations of a neutral precursor are added to a noble gas/electron afterglow plasma thermalized at 300-500 K. Charge exchange yields one or many cation species, each of which may undergo DR. Relative ion concentrations are monitored at a fixed reaction time while the initial plasma density is varied between 10{sup 9} and 10{sup 10} cm{sup -3}. Modeling of the decrease in concentration of each cation relative to the non-recombining noble gas cation yields the rate constant for DR. The technique is applied to several species (O{sub 2}{sup +}, CO{sub 2}{sup +}, CF{sub 3}{sup +}, N{sub 2}O{sup +}) with previously determined 300 K values, showing excellent agreement. The measurements of those species are extended to 500 K, with good agreement to literature values where they exist. Measurements are also made for a range of C{sub n}H{sub m}{sup +} (C{sub 7}H{sub 7}{sup +}, C{sub 7}H{sub 8}{sup +}, C{sub 5}H{sub 6}{sup +}, C{sub 4}H{sub 4}{sup +}, C{sub 6}H{sub 5}{sup +}, C{sub 3}H{sub 3}{sup +}, and C{sub 6}H{sub 6}{sup +}) derived from benzene and toluene neutral precursors. C{sub n}H{sub m}{sup +} DR rate constants vary from 8-12 Multiplication-Sign 10{sup -7} cm{sup 3} s{sup -1} at 300 K with temperature dependences of approximately T{sup -0.7}. Where prior measurements exist these results are in agreement, with the exception of C{sub 3}H{sub 3}{sup +} where the present results disagree with a previously reported flat temperature dependence.

  8. Putative quantum criticality in the (Cr{sub 90}Ir{sub 10}){sub 100?y}V{sub y} alloy system

    SciTech Connect (OSTI)

    Fernando, P. R.; Prinsloo, A. R. E., E-mail: alettap@uj.ac.za; Sheppard, C. J. [Department of Physics, University of Johannesburg, PO Box 524, Auckland Park 2006 (South Africa); Lodya, L. [Sasol Technology, Research and Development, 1 Klasie Havenga Road, Sasolburg 1947 (South Africa)

    2014-05-07T23:59:59.000Z

    Quantum criticality (QC) in spin-density-wave antiferromagnetic Cr and Cr alloy systems is a topic of current interest. In the present study, V was used as a tuning parameter to drive the Néel transition temperature (T{sub N}) of the (Cr{sub 90}Ir{sub 10}){sub 100?y}V{sub y} alloy series with 0???y???14.3 to zero and search for effects of QC in the process. The magnetic properties and possible QC behaviour (QCB) in this alloy system were investigated through electrical resistivity (?), specific heat (C{sub p}), and susceptibility (?) measurements as a function of temperature (T), indicating that T{sub N} is suppressed to zero at a critical concentration y{sub c}???9. The Sommerfeld coefficient (?) is considered a key indicator of QCB and a peak is observed in ?(y) at y{sub c} on decreasing y through this concentration, followed by a sharp decreasing trend. This behaviour is reminiscent of that observed for ? of the prototypical Cr{sub 100?x}V{sub x} QC system and allows for the classification of y{sub c} in the (Cr{sub 90}Ir{sub 10}){sub 100?y}V{sub y} alloy system as a possible QC point.

  9. Single-crystal structure of vanadium-doped La{sub 2}Mo{sub 2}O{sub 9}

    SciTech Connect (OSTI)

    Alekseeva, O. A., E-mail: olalex@ns.crys.ras.ru; Antipin, A. M. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation)] [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation); Gagor, A.; Pietraszko, A. [Polish Academy of Sciences, Trzebiatowski Institute of Low Temperature and Structure Research (Poland)] [Polish Academy of Sciences, Trzebiatowski Institute of Low Temperature and Structure Research (Poland); Novikova, N. E.; Sorokina, N. I. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation)] [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation); Kharitonova, E. P.; Voronkova, V. I. [Moscow State University (Russian Federation)] [Moscow State University (Russian Federation)

    2013-11-15T23:59:59.000Z

    A high-precision X-ray diffraction study of single crystals of two compositions-La{sub 2}Mo{sub 1.78}V{sub 0.22}O{sub 8.89} and La{sub 2}Mo{sub 1.64}V{sub 0.36}O{sub 8.82}-was performed. In the vanadium-doped compounds, as in the structure of the metastable {beta}{sub ms} phase of pure La{sub 2}Mo{sub 2}O{sub 9}, the La and Mo atoms and one of the three oxygen atoms are displaced from the threefold axis, on which they are located in the high-temperature {beta} phase. The structure contains two partially occupied oxygen sites. It was shown that molybdenum atoms are partially replaced by vanadium atoms, which are not involved in the disordering, are located on the threefold axis, and are shifted toward one of the oxygen atoms. This is consistent with the temperature-induced changes in the structure of La{sub 2}Mo{sub 2}O{sub 9} and the changes in the properties of these crystals caused by the introduction of vanadium atoms into the structure.

  10. New simple A{sub 4} neutrino model for nonzero {theta}{sub 13} and large {delta}{sub CP}

    SciTech Connect (OSTI)

    Ishimori, Hajime [Department of Physics, Kyoto University, Kyoto 606-8502 (Japan)

    2013-05-23T23:59:59.000Z

    In a new simple application of the non-Abelian discrete symmetry A{sub 4} to charged-lepton and neutrino mass matrices, we show that for the current experimental central value of sin{sup 2} 2{theta}{sub 13} Asymptotically-Equal-To 0.1, leptonic CP violation is necessarily large, i.e. Double-Vertical-Line tan{delta}{sub CP} Double-Vertical-Line > 1.3. We also consider T{sub 7} model with one parameter to be complex, thus allowing for one Dirac CP phase {delta}{sub CP} and two Majorana CP phases {alpha}{sub 1,2}. We find a slight modification to this correlation as a function of {delta}{sub CP}. For a given set of input values of {Delta}m{sup 2}{sub 21}, {Delta}m{sup 2}{sub 32}, {theta}{sub 12}, and {theta}{sub 13}, we obtain sin{sup 2} 2{theta}{sub 23} and m{sub ee} (the effective Majorana neutrino mass in neutrinoless double beta decay) as functions of tan {delta}{sub CP}. We find that the structure of this model always yields small Double-Vertical-Line tan {delta}{sub CP} Double-Vertical-Line .

  11. Interactions of Ba{sub 2}YCu{sub 3}O{sub 6+y} with the Gd{sub 3}NbO{sub 7} buffer layer in coated conductors

    SciTech Connect (OSTI)

    Wong-Ng, W., E-mail: Winnie.wong-ng@nist.go [Ceramics Division, National Institute of Standards and Technology, Gaithersburg, MD 20899 (United States); Yang, Z. [Ceramics Division, National Institute of Standards and Technology, Gaithersburg, MD 20899 (United States); Kaduk, J.A. [INEOS Technology, Naperville, IL 60566-7011 (United States); Cook, L.P. [Ceramics Division, National Institute of Standards and Technology, Gaithersburg, MD 20899 (United States); Paranthaman, M. [Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States)

    2010-03-15T23:59:59.000Z

    A systematic study of the chemical interaction of Ba{sub 2}YCu{sub 3}O{sub 6+y} and Gd{sub 3}NbO{sub 7} was conducted under two processing conditions: purified air (21% p{sub o{sub 2}}), and 100 Pa p{sub o{sub 2}} (0.1% p{sub o{sub 2}}). Phases present along the pseudo-binary join Ba{sub 2}YCu{sub 3}O{sub 6z} and Gd{sub 3}NbO{sub 7} were found to be in two five-phase volumes within the BaO-1/2 Y{sub 2}O{sub 3}-1/2 Gd{sub 2}O{sub 3}-Nb{sub 2}O{sub 5}-CuO{sub y} system. Three common phases that are present in all samples are (Y,Gd){sub 2}Cu{sub 2}O{sub 5}, Ba(Y,Gd){sub 2}CuO{sub 5} and Cu{sub 2}O or CuO (depending on the processing conditions). The assemblies of phases can be categorized in three regions, with Ba{sub 2}YCu{sub 3}O{sub 6+y}: Gd{sub 3}NbO{sub 7} ratios of (I)<5.5:4.5; (II)=5.5:4.5; and (III)>5.5:4.5. The lowest melting temperature of the system was determined to be {approx}938 deg. C in air, and 850 deg. C at 100 Pa p{sub o{sub 2}}. Structure determinations of two selected phases, Ba{sub 2}(Gd{sub x}Y{sub 1-x})NbO{sub 6} (Fm3-barm, No. 225), and (Gd{sub x}Y{sub 3-x})NbO{sub 7} (C222{sub 1}, No. 20 and Ccmm, No. 63), were completed using the X-ray Rietveld refinement technique. Reference X-ray powder diffraction patterns for selected phases of Ba{sub 2}(Gd{sub x}Y{sub 1-x})NbO{sub 6} (x=0.2, 0.4, 0.6, and 0.8) and (Gd{sub x}Y{sub 3-x})NbO{sub 7} (x=0.6, 1.2, 1.8, 2.4 and 3) have been prepared for inclusion in the Powder Diffraction File (PDF). - Graphical abstract: Crystal structure for (Gd{sub x}Y{sub 3-x})NbO{sub 7} showing the partial layered feature. The alternate stacking of distorted NbO{sub 6} octahedra and (Gd,Y)O{sub 7} polyhedra are illustrated. The (Gd,Y)O{sub 8} polyhedra are omitted for clarity.

  12. Hysteretic electrical transport in BaTiO{sub 3}/Ba{sub 1?x}Sr{sub x}TiO{sub 3}/Ge heterostructures

    SciTech Connect (OSTI)

    Ngai, J. H.; Kumah, D. P.; Walker, F. J. [Department of Applied Physics and Center for Research on Interface Structures and Phenomena, Yale University, 15 Prospect Street, New Haven, Connecticut 06520-8284 (United States); Ahn, C. H. [Department of Applied Physics and Center for Research on Interface Structures and Phenomena, Yale University, 15 Prospect Street, New Haven, Connecticut 06520-8284 (United States); Department of Mechanical Engineering and Materials Science, Yale University, 10 Hillhouse Avenue, New Haven, Connecticut 06520-8267 (United States)

    2014-02-10T23:59:59.000Z

    We present electrical transport measurements of heterostructures comprised of BaTiO{sub 3} and Ba{sub 1?x}Sr{sub x}TiO{sub 3} epitaxially grown on Ge. Sr alloying imparts compressive strain to the BaTiO{sub 3}, which enables the thermal expansion mismatch between BaTiO{sub 3} and Ge to be overcome to achieve c-axis oriented growth. The conduction bands of BaTiO{sub 3} and Ba{sub 1?x}Sr{sub x}TiO{sub 3} are nearly aligned with the conduction band of Ge, which facilitates electron transport. Electrical transport measurements through the dielectric stack exhibit rectifying behavior and hysteresis, where the latter is consistent with ferroelectric switching.

  13. Synthesis, structure and chemical bonding of CaFe{sub 2?x}Rh{sub x}Si{sub 2} (x=0, 1.32, and 2) and SrCo{sub 2}Si{sub 2}

    SciTech Connect (OSTI)

    Hlukhyy, Viktor, E-mail: viktor.hlukhyy@lrz.tu-muenchen.de; Hoffmann, Andrea V.; Fässler, Thomas F.

    2013-07-15T23:59:59.000Z

    The finding of superconductivity in Ba{sub 0.6}K{sub 0.4}Fe{sub 2}As{sub 2} put the attention on the investigation of compounds that crystallize with ThCr{sub 2}Si{sub 2} structure type such as AT{sub 2}X{sub 2} (A=alkali/alkaline earth/rare earth element; T=transition metal and X=element of the 13–15th group). In this context the silicides CaFe{sub 2}Si{sub 2}, CaFe{sub 0.68(6)}Rh{sub 1.32(6)}Si{sub 2}, CaRh{sub 2}Si{sub 2} and SrCo{sub 2}Si{sub 2} have been synthesized by reaction of the elements under an argon atmosphere. Single crystals were obtained by special heat treatment in welded niobium/tantalum ampoules. The compounds were investigated by means of powder and single crystal X-ray diffraction. All compounds crystallize in the ThCr{sub 2}Si{sub 2}-type structure with space group I4/mmm (No. 139): a=3.939(1) Ĺ, c=10.185(1) Ĺ, R{sub 1}=0.045, 85 F{sup 2} values, 8 variable parameters for CaFe{sub 2}Si{sub 2}; a=4.0590(2) Ĺ, c=9.9390(8) Ĺ, R{sub 1}=0.030, 90 F{sup 2} values, 10 variable parameters for CaFe{sub 0.68(6)}Rh{sub 1.32(6)}Si{sub 2}; a=4.0695(1) Ĺ, c=9.9841(3) Ĺ, R{sub 1}=0.031, 114 F{sup 2} values, 9 variable parameters for CaRh{sub 2}Si{sub 2}; and a=3.974(1) Ĺ, c=10.395(1) Ĺ, R{sub 1}=0.036, 95 F{sup 2} values, 8 variable parameters for SrCo{sub 2}Si{sub 2}. The structure of SrCo{sub 2}Si{sub 2} contains isolated [Co{sub 2}Si{sub 2}]{sup 2?} 2D-layers in the ab-plane whereas in CaFe{sub 2?x}Rh{sub x}Si{sub 2} the [T{sub 2}Si{sub 2}] layers (T=Fe and Rh) are interconnected along the c-axis via Si3Si bonds resulting in a three-dimentional (3D) [T{sub 2}Si{sub 2}]{sup 2?} polyanions and therefore belong to the so-called collapsed form of the ThCr{sub 2}Si{sub 2}-type structure. The SrCo{sub 2}Si{sub 2} and CaRh{sub 2}Si{sub 2} are isoelectronic to the parent 122 iron–pnictide superconductors AeFe{sub 2}As{sub 2} (Ae=alkaline earth elements), whereas CaFe{sub 2}Si{sub 2} is a full substituted variant (As/Si) of CaFe{sub 2}As{sub 2}. The crystal chemistry and chemical bonding in the title compounds are discussed in terms of LMTO band structure calculations and a topological analysis using the Electron Localization Function (ELF). - Graphical abstract: The SrCo{sub 2}Si{sub 2} and CaFe{sub 2?x}Rh{sub x}Si{sub 2} (x==0, 1.32, and 2) crystallize in the ThCr{sub 2}Si{sub 2}-type. The structure of SrCo{sub 2}Si{sub 2} contains isolated [Co{sub 2}Si{sub 2}]{sup 2?} layers in the ab-plane, whereas the [T{sub 2}Si{sub 2}] layers in CaFe{sub 2?x}Rh{sub x}Si{sub 2} are interconnected along the c-axis via Si3Si bonds resulting in a [T{sub 2}Si{sub 2}]{sup 2?} network. - Highlights: • Synthesis and structure of ternary silicides SrCo{sub 2}Si{sub 2} and CaFe{sub 2?x}Rh{sub x}Si{sub 2} (x=0, 1.32, and 2). • The SrCo{sub 2}Si{sub 2} and CaRh{sub 2}Si{sub 2} are isoelectronic to the parent 122 iron–pnictide superconductors AeFe{sub 2}As{sub 2}. • CaFe{sub 2}Si{sub 2} is a full substituted variant (As/Si) of superconductor CaFe{sub 2}As{sub 2}. • The title compounds demonstrate the tunable Si3Si distances.

  14. Dynamics of the reaction of C{sub 3}(a{sup 3}?{sub u}) radicals with C{sub 2}H{sub 2}: A new source for the formation of C{sub 5}H

    SciTech Connect (OSTI)

    Huang, Wen-Jian; Sun, Yi-Lun; Chin, Chih-Hao; Lee, Shih-Huang, E-mail: shlee@nsrrc.org.tw [National Synchrotron Radiation Research Center (NSRRC), 101 Hsin-Ann Road, Hsinchu Science Park, Hsinchu 30076, Taiwan (China)

    2014-09-28T23:59:59.000Z

    The reaction C{sub 3}(a{sup 3}?{sub u}) + C{sub 2}H{sub 2} ? C{sub 5}H + H was investigated at collision energy 10.9 kcal mol{sup ?1} that is less than the enthalpy of ground-state reaction C{sub 3}(X{sup 1}?{sub g}{sup +}) + C{sub 2}H{sub 2} ? C{sub 5}H + H. C{sub 3}(a{sup 3}?{sub u}) radicals were synthesized from 1% C{sub 4}F{sub 6}/He by pulsed high-voltage discharge. The title reaction was conducted in a crossed molecular-beam apparatus equipped with a quadrupole-mass filter. Product C{sub 5}H was interrogated with time-of-flight spectroscopy and synchrotron vacuum-ultraviolet ionization. Reactant C{sub 3}(a{sup 3}?{sub u}) and product C{sub 5}H were identified using photoionization spectroscopy. The ionization thresholds of C{sub 3}(X{sup 1}?{sub g}{sup +}) and C{sub 3}(a{sup 3}?{sub u}) are determined as 11.6 ± 0.2 eV and 10.0 ± 0.2 eV, respectively. The C{sub 5}H product is identified as linear pentynylidyne that has an ionization energy 8.4 ± 0.2 eV. The title reaction releases translational energy 10.6 kcal mol{sup ?1} in average and has an isotropic product angular distribution. The quantum-chemical calculation indicates that the C{sub 3}(a{sup 3}?{sub u}) radical attacks one of the carbon atoms of C{sub 2}H{sub 2} and subsequently a hydrogen atom is ejected to form C{sub 5}H + H, in good agreement with the experimental observation. As far as we are aware, the C{sub 3}(a{sup 3}?{sub u}) + C{sub 2}H{sub 2} reaction is investigated for the first time. This work gives an implication for the formation of C{sub 5}H from the C{sub 3}(a{sup 3}?{sub u}) + C{sub 2}H{sub 2} reaction occurring in a combustion or discharge process of C{sub 2}H{sub 2}.

  15. Yb{sub 5}Ni{sub 4}Sn{sub 10} and Yb{sub 7}Ni{sub 4}Sn{sub 13}: New polar intermetallics with 3D framework structures

    SciTech Connect (OSTI)

    Lei Xiaowu; Sun Zhongming; Li Longhua [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002 (China); Graduate School of the Chinese Academy of Sciences, Beijing 100039 (China); Zhong Guohua; Hu Chunli [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002 (China); Mao Jianggao, E-mail: mjg@fjirsm.ac.c [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002 (China)

    2010-04-15T23:59:59.000Z

    The title compounds have been obtained by solid state reactions of the corresponding pure elements at high temperature, and structurally characterized by single-crystal X-ray diffraction studies. Yb{sub 5}Ni{sub 4}Sn{sub 10} adopts the Sc{sub 5}Co{sub 4}Si{sub 10} structure type and crystallizes in the tetragonal space group P4/mbm (No. 127) with cell parameters of a=13.785(4) A, c=4.492 (2) A, V=853.7(5) A{sup 3}, and Z=2. Yb{sub 7}Ni{sub 4}Sn{sub 13} is isostructural with Yb{sub 7}Co{sub 4}InGe{sub 12} and crystallizes in the tetragonal space group P4/m (No. 83) with cell parameters of a=11.1429(6) A, c=4.5318(4) A, V=562.69(7) A{sup 3}, and Z=1. Both structures feature three-dimensional (3D) frameworks based on three different types of one-dimensional (1D) channels, which are occupied by the Yb atoms. Electronic structure calculations based on density functional theory (DFT) indicate that both compounds are metallic. These results are in agreement with those from temperature-dependent resistivity and magnetic susceptibility measurements. - Graphical abstract: Two new ytterbium nickel stannides, namely, Yb{sub 5}Ni{sub 4}Sn{sub 10} and Yb{sub 7}Ni{sub 4}Sn{sub 13}, have been synthesized and structurally characterized by single-crystal X-ray diffraction studies. Both their structures feature three-dimensional (3D) frameworks based on three different types of one-dimensional (1D) channels, which are situated by all the Yb atoms. Electronic structure calculations based on density functional theory (DFT) indicate that both compounds are metallic, which are in accordance with the results from temperature-dependent resistivity and magnetic susceptibility measurements.

  16. Flux creep and critcal-current anisotropy in Bi/sub 2/Sr/sub 2/CaCu/sub 2/O/sub 8+//sub delta/

    SciTech Connect (OSTI)

    Biggs, B.D.; Kunchur, M.N.; Lin, J.J.; Poon, S.J.; Askew, T.R.; Flippen, R.B.; Subramanian, M.A.; Gopalakrishnan, J.; Sleight, A.W.

    1989-04-01T23:59:59.000Z

    We have studied magnetic relaxation, temperature dependence of the critical currents, magnetic irreversibility, and lower critical fields in single crystals of the high-T/sub c/ superconductor Bi/sub 2/Sr/sub 2/CaCu/sub 2/O/sub 8+//sub delta/ (idealized composition) through magnetization measurements. The results are analyzed within the framework of the critical state and a thermally activated flux-creep model. The results indicate three different critical curents and flux-creep rates depending on the relative orientation of the current, the field, and the Cu-O planes. The flux-creep rate for flux lines moving perpendicular to the planes, was found to be unobservably low. Similarly, the critical current density perpendicular to the planes was very low. However the critical current density in the plane and the flux-pinning well depth U/sub 0/, for fluxon motion parallel to the planes, are similar to the values found in Y-Ba-Cu-O. Implications of insulating layers between the Cu-O planes are discussed.

  17. New hypodiphosphates of the alkali metals: Synthesis, crystal structure and vibrational spectra of the hypodiphosphates(IV) M{sub 2}[(H{sub 2}P{sub 2}O{sub 6})(H{sub 4}P{sub 2}O{sub 6})] (M=Rb and Cs)

    SciTech Connect (OSTI)

    Wu, Peng [Institut fuer Anorganische und Analytische Chemie der TU Clausthal, Paul-Ernst-Strasse 4, D-38678 Clausthal-Zellerfeld (Germany)] [Institut fuer Anorganische und Analytische Chemie der TU Clausthal, Paul-Ernst-Strasse 4, D-38678 Clausthal-Zellerfeld (Germany); Wiegand, Thomas; Eckert, Hellmut [Institut fuer Physikalische Chemie and Graduate School of Chemistry, Westfaelische Wilhelms-Universitaet Muenster, Corrensstr. 28/30, D-48149 Muenster (Germany)] [Institut fuer Physikalische Chemie and Graduate School of Chemistry, Westfaelische Wilhelms-Universitaet Muenster, Corrensstr. 28/30, D-48149 Muenster (Germany); Gjikaj, Mimoza, E-mail: mimoza.gjikaj@tu-clausthal.de [Institut fuer Anorganische und Analytische Chemie der TU Clausthal, Paul-Ernst-Strasse 4, D-38678 Clausthal-Zellerfeld (Germany)] [Institut fuer Anorganische und Analytische Chemie der TU Clausthal, Paul-Ernst-Strasse 4, D-38678 Clausthal-Zellerfeld (Germany)

    2012-10-15T23:59:59.000Z

    The new hypodiphosphates(IV) Rb{sub 2}[(H{sub 2}P{sub 2}O{sub 6})(H{sub 4}P{sub 2}O{sub 6})] (1) and Cs{sub 2}[(H{sub 2}P{sub 2}O{sub 6})(H{sub 4}P{sub 2}O{sub 6})] (2) were synthesized by soft chemistry reactions from aqueous solutions of hypophosphoric acid and the corresponding heavy alkali-metal carbonates. Their crystal structures were determined by single crystal X-ray diffraction. Both compounds crystallize isotypic in the triclinic space group P-1 with one formula unit in the unit cell. The structures are built up by discrete (H{sub 2}P{sub 2}O{sub 6}){sup 2-} and (H{sub 4}P{sub 2}O{sub 6}) units in staggered conformation for the P{sub 2}O{sub 6} skeleton and the corresponding alkali-metal cations. In the (H{sub 2}P{sub 2}O{sub 6}){sup 2-} ion the hydrogen atoms are in a 'trans-trans' conformation. O{center_dot}H-O hydrogen bonds between the (H{sub 2}P{sub 2}O{sub 6}){sup 2-} and (H{sub 4}P{sub 2}O{sub 6}) groups consolidate the structures into a three-dimensional network. The FT-Raman and {sup 31}P and {sup 1}H and MAS NMR spectra of the title compounds have been recorded and interpreted, especially with respect to their assignment to the (H{sub 2}P{sub 2}O{sub 6}){sup 2-} and (H{sub 4}P{sub 2}O{sub 6}) groups. Thermogravimetric data of 2 have been interpreted in terms of a thermal decomposition model. - Graphical Abstract: The layered compounds Rb{sub 2}[(H{sub 2}P{sub 2}O{sub 6})(H{sub 4}P{sub 2}O{sub 6})] and Cs{sub 2}[(H{sub 2}P{sub 2}O{sub 6})(H{sub 4}P{sub 2}O{sub 6})] have been synthesized and investigated. Both crystallize isotypic. The structures are built up by discrete (H{sub 2}P{sub 2}O{sub 6}){sup 2-} and (H{sub 4}P{sub 2}O{sub 6}) units and the corresponding alkali-metal cations. Highlights: Black-Right-Pointing-Pointer Synthesis and single-crystal structure of new alkali hypodiphosphates. Black-Right-Pointing-Pointer Structures are characterized by [(H{sub 2}P{sub 2}O{sub 6})(H{sub 4}P{sub 2}O{sub 6})]{sup 2-} units and M{sup +} cations. Black-Right-Pointing-Pointer (H{sub 2}P{sub 2}O{sub 6}){sup 2-} and (H{sub 4}P{sub 2}O{sub 6}) units are linked by short hydrogen bonds. Black-Right-Pointing-Pointer Both compounds are characterized by {sup 31}P MAS-NMR spectra.

  18. Emerging NO sub x /SO sub x control technologies

    SciTech Connect (OSTI)

    Livengood, C.D. (Argonne National Lab., IL (United States)); Markussen, J.M. (USDOE Pittsburgh Energy Technology Center, PA (United States))

    1992-01-01T23:59:59.000Z

    The development of advanced flue-gas-cleanup (FGC) technologies fro the control of sulfur dioxide (SO{sub 2}) and nitrogen oxides (NO{sub x}) emissions continues to be a very active area of research and development, both in this country and abroad. This activity is driven both by legislation (such as the recent revisions to the Clean Air Act) and by the desire to develop technologies that surpass current options in terms of performance, costs, operability, and waste/by-product properties. New issues, such as concern over global climate changes and the health effects of toxic air emissions ( air toxics''), are also helping to shape and prioritize the development programs. This paper provides a status report on a number of integrated FGC systems that have reached a significant stage of development, focusing on post-combustion processes that have been rested or are ready for testing at the pilot scale or larger. While some information that was presented at the 1991 CIBO NO{sub x} IV Control Conference is repeated for the sake of completeness, we have updated each section to reflect the most recent reported developments. Although a wide variety of technologies is discussed, it should be noted that there are a number of other integrated approaches, such as slagging combustors, fluidized-bed combustion, gasification/combined-cycle systems, and various processes combining low-NO{sub x} burners with SO{sub 2}-sorbent injection in the furnace. These other approaches also offer features that should not be overlooked when evaluating alternatives for a specific application.

  19. Properties measurements of (U{sub 0.7}Pu{sub 0.3})O{sub 2-x} in PO{sub 2}-controlled atmosphere

    SciTech Connect (OSTI)

    Kato, M.; Murakami, T.; Sunaoshi, T. [Advanced Nuclear System Research and Development Directorate, Japan Atomic Energy Agency, Muramatsu Tokai-mura Ibaraki, 319-1194 (Japan); Nelson, A.T.; McClellan, K.J. [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)

    2013-07-01T23:59:59.000Z

    The investigation of physical properties of uranium and plutonium mixed oxide (MOX) fuels is important for the development of fast reactor fuels. It is well known that MOX is a nonstoichiometric oxide, and the physical properties change drastically with the Oxygen-to-Metal (O/M) ratio. A control technique for O/M ratio was established for measurements of high temperature properties of uranium and plutonium mixed oxide fuels. Sintering behavior, thermal expansion and O/M change of (U{sub 0.7}Pu{sub 0.3})O{sub 2.00} and (U{sub 0.7}Pu{sub 0.3})O{sub 1.99} were investigated in PO{sub 2}-controlled atmosphere which was controlled by H{sub 2}/H{sub 2}O gas system. Sintering behavior changed drastically with O/M ratio, and shrinkage of (U{sub 0.7}Pu{sub 0.3})O{sub 2.00} was faster and more advanced at lower temperatures as compared with (U{sub 0.7}Pu{sub 0.3})O{sub 1.99}. Thermal expansion was observed to be slightly increased with decreasing O/M ratio. (authors)

  20. Quantum paraelectric glass state in SrCu{sub 3}Ti{sub 4}O{sub 12}

    SciTech Connect (OSTI)

    Kumar, Jitender; Choudhary, Ram Janay; Awasthi, A. M., E-mail: amawasthi@csr.res.in [UGC-DAE Consortium for Scientific Research, University Campus, Khandwa Road, Indore 452001 (India)

    2014-06-30T23:59:59.000Z

    Magnetic and dielectric studies of SrCu{sub 3}Ti{sub 4}O{sub 12} carried out over 5–300?K confirm antiferromagnetic (AFM) ordering of Cu-spins at T{sub N}?=?23?K. Dielectric constant ?? measured across 1?Hz-1 MHz signifies quantum paraelectric character, Barrett-fittable almost down to T{sub N}. Competition of athermal fluctuations and the literature-reported magneto-phonon-softening near T{sub N} manifest a quantum paraelectric glass (QPG) state. Emergent AFM-field tunes the otherwise quantum ordering (at absolute-zero) of the dipoles to finite-temperature kinetic glass transition; spectral dispersion of dielectric constant was unambiguously manifested and characterized. Vogel-Fulcher glass-kinetics parameterization sets the almost relaxation-free QPG state in SrCu{sub 3}Ti{sub 4}O{sub 12} apart from an emergent scaling-class, to which typical ferroelectric relaxors belong.

  1. Li{sub 2}Si{sub 3}O{sub 7}: Crystal structure and Raman spectroscopy

    SciTech Connect (OSTI)

    Krueger, Hannes [Institute of Mineralogy and Petrography, University of Innsbruck, Innrain 52, 6020 Innsbruck (Austria)], E-mail: Hannes.Krueger@uibk.ac.at; Kahlenberg, Volker [Institute of Mineralogy and Petrography, University of Innsbruck, Innrain 52, 6020 Innsbruck (Austria); Kaindl, Reinhard [Christian-Doppler-Laboratory for Advanced Hard Coatings at the Institute of Mineralogy and Petrography, University of Innsbruck, 6020 Innsbruck (Austria)

    2007-03-15T23:59:59.000Z

    The crystal structure of metastable Li{sub 2}Si{sub 3}O{sub 7} was determined from single crystal X-ray diffraction data. The orthorhombic crystals were found to adopt space group Pmca with unit cell parameters of a=19.648(3)A, b=5.9969(8)A and c=4.8691(6)A. The content of the cell is Z=4. The obtained structural model was refined to a R-value of 0.035. The structure exhibits silicate sheets, which can be classified as {l_brace}uB,2,1{sub {approx}}{sup 2}{r_brace}[Si{sub 6}O{sub 14}] using the silicate nomenclature of Liebau. The layers are build up from zweier single chains running parallel to c. Raman spectra are presented and compared with other silicates. Furthermore, the structure is discussed versus Na{sub 2}Si{sub 3}O{sub 7}.

  2. Crystal structure, oxidation state and magnetism of Sr{sub x}La{sub 2?x}Cu{sub 0.5}Ru{sub 0.5}O{sub 4} (x=1, 1.5)

    SciTech Connect (OSTI)

    Lü, Minfeng, E-mail: m.f.lv@ciac.jl.cn [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Deng, Xiaolong [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Waerenborgh, Joăo C. [IST/ITN, Instituto Superior Técnico, Univ Técnica de Lisboa, CFMC-UL, EN 10, 2686-953 Sacavém (Portugal); Wu, Xiaojie [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Meng, Jian, E-mail: jmeng@ciac.jl.cn [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China)

    2014-03-15T23:59:59.000Z

    Sr{sub x}La{sub 2?x}Cu{sub 0.5}Ru{sub 0.5}O{sub 4} (x=1, 1.5) oxides with K{sub 2}NiF{sub 4}-type structure were prepared by solid state reaction and characterized by powder X-ray diffraction, X-ray photoelectron spectroscopy, magnetic and electrical resistivity measurements. The SrLaCu{sub 0.5}Ru{sub 0.5}O{sub 4} phase was obtained for the first time with a negligible amount of impurities. The octahedral Cu/RuO{sub 6} units are more elongated in SrLaCu{sub 0.5}Ru{sub 0.5}O{sub 4} than in Sr{sub 1.5}La{sub 0.5}Cu{sub 0.5}Ru{sub 0.5}O{sub 4} indicating a greater extent of static Jahn–Teller distortion. XPS suggests that mixed ion pairs Ru{sup 5+}/Ru{sup 4+}?Cu{sup +}/Cu{sup 2+} are present in SrLaCu{sub 0.5}Ru{sub 0.5}O{sub 4}, while Ru remains as Ru{sup 5+} and Cu as Cu{sup 2+} in Sr{sub 1.5}La{sub 0.5}Cu{sub 0.5}Ru{sub 0.5}O{sub 4}. Both samples show spin-glass behavior, which can be explained by competition between ferromagnetic and antiferromagnetic superexchange interactions. The negative Weiss temperature estimated for SrLaCu{sub 0.5}Ru{sub 0.5}O{sub 4}, ?318 K, is significantly lower than ?11.5 K deduced for Sr{sub 1.5}La{sub 0.5}Cu{sub 0.5}Ru{sub 0.5}O{sub 4} which may be related to the higher static Jahn–Teller distortion in the former oxide. -- Graphical abstract: SrLaCu{sub 0.5}Ru{sub 0.5}O{sub 4} with K{sub 2}NiF{sub 4}-type structure show a larger static Jahn–Teller distortion than Sr{sub 1.5}La{sub 0.5}Cu{sub 0.5}Ru{sub 0.5}O{sub 4}, which may be related to stronger antiferromagnetic superexchange interactions. Highlights: • SrLaCu{sub 0.5}Ru{sub 0.5}O{sub 4} (I) larger Jahn–Teller (J–T) distortion than Sr{sub 1.5}La{sub 0.5}Cu{sub 0.5}Ru{sub 0.5}O{sub 4} (II). • Octahedral Cu/RuO{sub 6} units are more elongated in I than in II. • Mixed ion pairs Ru{sup 5+}/Ru{sup 4+}?Cu{sup +}/Cu{sup 2+} are present in I, while Ru remains as Ru{sup 5+} and Cu as Cu{sup 2+} in II. • Negative Weiss temperature of I significantly lower, consistent with higher J–T distortion.

  3. Photochemical removal of NpF sub 6 and PuF sub 6 from UF sub 6 gas streams

    SciTech Connect (OSTI)

    Beitz, J.V.; Williams, C.W.

    1990-01-01T23:59:59.000Z

    A novel photochemical method of removing reactive fluorides from UF{sub 6} gas has been discovered. This method reduces generated waste to little more than the volume of the removed impurities, minimizes loss of UF{sub 6}, and can produce a recyclable by-product, fluorine gas. In our new method, impure UF{sub 6}, is exposed to ultraviolet light which dissociates the UF{sub 6} to UF{sub 5} and fluorine atom. Impurities which chemically react with UF{sub 5} are reduced and form solid compounds easily removed from the gas while UF{sub 5} is converted back to UF{sub 6}. Proof-of-concept testing involved UF{sub 6} containing NpF{sub 6} and PuF{sub 6} with CO added as a fluorine atom scavenger. In a single photolysis step, greater than 5000-fold reduction of PuF{sub 6} was demonstrated while reducing NpF{sub 6} by more than 40-fold. This process is likely to remove corrosion and fission product fluorides that are more reactive than UF{sub 6} and has been demonstrated without an added fluorine atom scavenger by periodically removing photogenerated fluorine gas. 44 refs., 3 figs., 2 tabs.

  4. Scintillator having a MgAI.sub.2O.sub.4 host lattice

    DOE Patents [OSTI]

    Chen, Ching-Fong (Los Alamos, NM)

    2011-12-20T23:59:59.000Z

    A scintillator having a host lattice of MgAl.sub.2O.sub.4 was prepared by hot pressing under a vacuum environment a powder mixture of MgAl.sub.2O.sub.4, CeO.sub.2, and LiF.

  5. Synthesis and characterization of (Et/sub 4/N)(M(CO)/sub 5/SR) and (Et/sub 4/N)/sub 2/(M/sub 2/(CO)/sub 8/(SR)/sub 2/) complexes (M = Cr, Mo, W). Ligand substitution reactions and x-ray crystal structure of (Et/sub 4/N)/sub 2/(W/sub 2/(CO)/sub 8/(SPh)/sub 2/)

    SciTech Connect (OSTI)

    Darensbourg, D.J.; Sanchez, K.M.; Reibenspies, J.

    1988-10-05T23:59:59.000Z

    A series of complexes (Et/sub 4/N)(M(CO)/sub 5/SR) (M = Cr, Mo, W; R = H, Ph), have been synthesized and characterized by /sup 1/H and /sup 13/C NMR and ir spectroscopies. Gentle heating causes these complexes to lose a carbonyl ligand, yielding the doubly bridged sulfur dimers M/sub 2/(CO)/sub 8/(..mu..-SR)/sub 2//sup 2 -/. The x-ray crystal structure of (Et/sub 4/N)/sub 2/(W/sub 2/(CO)/sub 8/(SPh)/sub 2/) has been determined. The complex crystallizes in the triclinic space group P /anti 1/ with unit cell parameters a = 9.8664 (17) /angstrom/, b = 9.8566 (22) /angstrom/, c = 11.8270 (26) /angstrom/, ..cap alpha.. = 65.790 (16)/degrees/, ..beta.. = 81.710 (16)/degrees/, ..gamma.. = 82.000 (16)/degrees/, V = 1034.0 (4) /angstrom//sup 3/, and Z = 1. Both mono- and dinuclear metal complexes readily react with phosphorus donor ligands to afford the carbon monoxide substituted complexes cis-M(CO)/sub 4/(P)(SR)/sup -/ (P = PMe/sub 3/, P(OMe)/sub 3/, PPh/sub 3/). In addition, the dimers react with 1 atm of carbon monoxide to re-form the mononuclear species M(CO)/sub 5/SR/sup -/ in quantitative yields. Unsuccessful attempts to insert CO/sub 2/, COS, or CS/sub 2/ into the M-SR bond in the M(CO)/sub 5/SR/sup -/ derivatives are noted. 25 references, 3 figures, 15 tables.

  6. Insight into cation disorder of Li{sub 2}Fe{sub 0.5}Mn{sub 0.5}SiO{sub 4}

    SciTech Connect (OSTI)

    Bini, Marcella [Dept. of Chemistry, University of Pavia, viale Taramelli 16, Pavia 27100 (Italy); Ferrari, Stefania, E-mail: stefania.ferrari@unipv.it [Dept. of Chemistry, University of Pavia, viale Taramelli 16, Pavia 27100 (Italy); Capsoni, Doretta; Spreafico, Clelia; Tealdi, Cristina; Mustarelli, Piercarlo [Dept. of Chemistry, University of Pavia, viale Taramelli 16, Pavia 27100 (Italy)

    2013-04-15T23:59:59.000Z

    Transition metal lithium orthosilicates are promising cathode materials for lithium-ion batteries. Here we report a combined experimental (in situ X-ray diffraction) and computational (static lattice and molecular dynamics) study of the thermal behavior of the Li{sub 2}Fe{sub 0.5}Mn{sub 0.5}SiO{sub 4} orthosilicate from room temperature to 950 °C. Our X-ray results showed that Pmnb polymorph is the most stable all over the explored temperature range. A significant cation disorder up to 80%, based on the anti-site defect, was found. The defect concentration depends on the synthesis route and temperature, and is completely reversible after the thermal treatments. Moreover, a careful analysis of the impurity phases allowed us to identify Li{sub 2}SiO{sub 3}, Fe{sub 3}O{sub 4} and Li{sub 3}Fe{sub 5}O{sub 8}, the last one never reported before. The minimization of defects by opportunely tuning the synthetic parameters would be of great importance in view of potential applications of these materials in lithium batteries. - Graphical abstract: A combined experimental in situ X-ray diffraction and computational study of the thermal behavior of the Li{sub 2}Fe{sub 0.5}Mn{sub 0.5}SiO{sub 4} is reported herein. The anti-site defect does justify the diffraction patterns changes with temperature. Highlights: ? Study of the thermal behavior of Li{sub 2}Fe{sub 0.5}Mn{sub 0.5}SiO{sub 4}. ? The anti-site defect does justify the diffraction patterns changes with temperature. ? The Pmnb polymorph is stable in the investigated temperaturerange.

  7. Radiation Tolerance of A{sub 2}Ti{sub 2}O{sub 7} Materials - A Question of Bonding?

    SciTech Connect (OSTI)

    Whittle, Karl R. [University of Sheffield, Sheffield, S1 3JD (United Kingdom); Lumpkin, Gregory R.; Smith, Katherine L.; Blackford, Mark G. [Australian Nuclear Science and Technology Organisation, Sydney, NSW 2234 (Australia); Harvey, Elizabeth J. [University of Cambridge, Cambridge, CB2 3EQ (United Kingdom); Zaluzec, Nestor J. [Argonne National Laboratory, Chicago, IL, 60439 (United States)

    2007-07-01T23:59:59.000Z

    The resistance of Ln{sub 2}Ti{sub 2}O{sub 7} (Ln = lanthanide) compounds to radiation damage is an important topic in the understanding and development of new materials by which radioactive nuclear waste can safely be immobilised. A model has been developed, from previously published density functional theory and molecular orbital theory simulations of the band structure for Ln{sub 2}Ti{sub 2}O{sub 7} materials. This model provides a chemical interpretation of radiation stability. (authors)

  8. Thermoelectric properties of M{sub 2}Mo{sub 6}Se{sub 6} (M =Tl,In)

    SciTech Connect (OSTI)

    Verebelyi, D.T.; Payne, J.E.; Tessema, G.X.; Mengistu, E.

    1997-07-01T23:59:59.000Z

    The authors have measured the thermal conductivity of Tl{sub 2}Mo{sub 6}Se{sub 6}, a quasi-one dimensional conductor which belongs to the family of M{sub 2}Mo{sub 6}X{sub 6} linear chain compounds. Using these results and the measurements of the Seebeck coefficient and the electrical conductivity the authors estimate the dimensionless figure of merit to be of the order of 0.08. This result suggest that this compound and other related compounds are good potential TE.

  9. Micro-Raman spectroscopic study of nanolaminated Ti{sub 5}Al{sub 2}C{sub 3}

    SciTech Connect (OSTI)

    Zhang, H.; Li, Z. J. [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, 72 Wenhua Road, Shenyang 110016 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Wang, X. H. [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, 72 Wenhua Road, Shenyang 110016 (China); Xiang, H. M.; Zhou, Y. C, E-mail: yczhou714@gmail.com [Science and Technology of Advanced Functional Composite Laboratory, ARIMPT, No.1 South Dahongmen Road, Beijing 100076 (China)

    2014-03-31T23:59:59.000Z

    Micro-Raman spectroscopic study and lattice dynamics calculations were conducted to study a recently identified layered ternary carbide, Ti{sub 5}Al{sub 2}C{sub 3}. The experimental Raman shifts were remarkably consistent with the calculated values. Polarized Raman spectrum was collected in the polycrystalline sample, which confirmed the theoretical symmetry assignment of the Raman modes. In addition, the atomic vibrations of the peaks at 192?cm{sup ?1}, 311?cm{sup ?1}, and 660?cm{sup ?1} were identified to be the combination of the counterparts in Ti{sub 2}AlC and Ti{sub 3}AlC{sub 2}.

  10. THE CHEMISTRY OF HO{sub 2}NO{sub 2} AND THE PHOTOCHEMISTRY OF THE HO{sub X}-NO{sub X}-CO{sub X} SYSTEM

    SciTech Connect (OSTI)

    Littlejohn, David

    1980-08-01T23:59:59.000Z

    The objectives of this work were: (1) to investigate formation and destruction reactions of peroxynitric acid, HO{sub 2}NO{sub 2} and (2) to study the photochemistry and kinetics of the HO{sub x} - NO{sub x} - CO{sub x} system were also studied. Investigations were done using infrared spectroscopy to observe the behavior of species involved with the reactions of interest. Several techniques were used, including expansion of reactants into an evacuated cell, static cell decays under constant illumination, and periodic photolysis of flow systems, Infrared absorption cross sections were obtained for CO, CO{sub 2}, NO, NO{sub 2}, N{sub 2}O{sub 5}, HNO{sub 3}, H{sub 2}O{sub 2}, and H{sub 2}O. The spectroscopic measurements were used to derive kinetic information on the systems under study,

  11. Thickness dependence of magnetoelectric response for composites of Pb(Zr{sub 0.52}Ti{sub 0.48})O{sub 3} films on CoFe{sub 2}O{sub 4} ceramic substrates

    SciTech Connect (OSTI)

    Wang, Jing, E-mail: wang-jing@nuaa.edu.cn; Zhu, Kongjun [State Key Laboratory of Mechanics and Control of Mechanical Structures, College of Aerospace Engineering, Nanjing University of Aeronautics and Astronautics, Nanjing 210016 (China); Wu, Xia; Deng, Chaoyong [School of Electronics and Information Engineering, Guizhou University, Guiyang 550025 (China); Peng, Renci; Wang, Jianjun [School of Materials Science and Engineering, and State Key Lab of New Ceramics and Fine Processing, Tsinghua University, Beijing 100084 (China)

    2014-08-15T23:59:59.000Z

    Using chemical solution spin-coating we grew Pb(Zr{sub 0.52}Ti{sub 0.48})O{sub 3} films of different thicknesses on highly dense CoFe{sub 2}O{sub 4} ceramics. X-ray diffraction revealed no other phases except Pb(Zr{sub 0.52}Ti{sub 0.48})O{sub 3} and CoFe{sub 2}O{sub 4}. In many of these samples we observed typical ferroelectric hysteresis loops, butterfly-shaped piezoelectric strains, and the magnetic-field-dependent magnetostriction. These behaviors caused appreciable magnetoelectric responses based on magnetic-mechanical-electric coupling. Our results indicated that the thickness of the Pb(Zr{sub 0.52}Ti{sub 0.48})O{sub 3} film was important in obtaining strong magnetoelectric coupling.

  12. Low temperature and magnetic field behaviour of the (Cr{sub 84}Re{sub 16}){sub 89.6}V{sub 10.4} alloy

    SciTech Connect (OSTI)

    Jacobs, B. S., E-mail: sjacobs@uj.ac.za; Sheppard, C. J.; Prinsloo, A. R. E. [Department of Physics, University of Johannesburg, P.O. Box 524, Auckland Park 2006 (South Africa); Lodya, L. [Sasol Technology, Research and Development, 1 Klasie Havenga Road, Sasolburg 1947 (South Africa)

    2014-05-07T23:59:59.000Z

    Measurements of the temperature (T) dependence of the magnetic susceptibility (?) and electrical resistance (R) on an antiferromagnetic (AFM) (Cr{sub 84}Re{sub 16}){sub 89.6}V{sub 10.4} alloy are reported in order to probe the existence of quantum critical behaviour (QCB) utilizing static magnetic fields (H) as a tuning parameter. The results indicate that an increase in H suppresses T{sub N} in such a way that it varies exponentially with increasing H. R(T) measurements show evidence of possible superconducting (SC) behaviour below 1?K at H?=?0?T. These results therefore indicate the coexistence of the AFM and SC phases in the (Cr{sub 84}Re{sub 16}){sub 89.6}V{sub 10.4} alloy.

  13. Synthesis and structural characterization of the ternary Zintl phases AE{sub 3}Al{sub 2}Pn{sub 4} and AE{sub 3}Ga{sub 2}Pn{sub 4} (AE=Ca, Sr, Ba, Eu; Pn=P, As)

    SciTech Connect (OSTI)

    He, Hua; Tyson, Chauntae; Saito, Maia [Department of Chemistry and Biochemistry, University of Delaware, Newark, DE 19716 (United States); Bobev, Svilen, E-mail: bobev@udel.edu [Department of Chemistry and Biochemistry, University of Delaware, Newark, DE 19716 (United States)

    2012-04-15T23:59:59.000Z

    Ten new ternary phosphides and arsenides with empirical formulae AE{sub 3}Al{sub 2}Pn{sub 4} and AE{sub 3}Ga{sub 2}Pn{sub 4} (AE=Ca, Sr, Ba, Eu; Pn=P, As) have been synthesized using molten Ga, Al, and Pb fluxes. They have been structurally characterized by single-crystal and powder X-ray diffraction to form with two different structures-Ca{sub 3}Al{sub 2}P{sub 4}, Sr{sub 3}Al{sub 2}As{sub 4}, Eu{sub 3}Al{sub 2}P{sub 4}, Eu{sub 3}Al{sub 2}As{sub 4}, Ca{sub 3}Ga{sub 2}P{sub 4}, Sr{sub 3}Ga{sub 2}P{sub 4}, Sr{sub 3}Ga{sub 2}As{sub 4}, and Eu{sub 3}Ga{sub 2}As{sub 4} crystallize with the Ca{sub 3}Al{sub 2}As{sub 4} structure type (space group C2/c, Z=4); Ba{sub 3}Al{sub 2}P{sub 4} and Ba{sub 3}Al{sub 2}As{sub 4} adopt the Na{sub 3}Fe{sub 2}S{sub 4} structure type (space group Pnma, Z=4). The polyanions in both structures are made up of TrPn{sub 4} tetrahedra, which share common corners and edges to form {sup 2}{sub {infinity}}[TrPn{sub 2}]{sub 3-} layers in the phases with the Ca{sub 3}Al{sub 2}As{sub 4} structure, and {sup 1}{sub {infinity}}[TrPn{sub 2}]{sub 3-} chains in Ba{sub 3}Al{sub 2}P{sub 4} and Ba{sub 3}Al{sub 2}As{sub 4} with the Na{sub 3}Fe{sub 2}S{sub 4} structure type. The valence electron count for all of these compounds follows the Zintl-Klemm rules. Electronic band structure calculations confirm them to be semiconductors. - Graphical abstract: AE{sub 3}Al{sub 2}Pn{sub 4} and AE{sub 3}Ga{sub 2}Pn{sub 4} (AE=Ca, Sr, Ba, Eu; Pn=P, As) crystallize in two different structures-Ca{sub 3}Al{sub 2}P{sub 4}, Sr{sub 3}Al{sub 2}As{sub 4}, Eu{sub 3}Al{sub 2}P{sub 4}, Eu{sub 3}Al{sub 2}As{sub 4}, Ca{sub 3}Ga{sub 2}P{sub 4}, Sr{sub 3}Ga{sub 2}P{sub 4}, Sr{sub 3}Ga{sub 2}As{sub 4}, and Eu{sub 3}Ga{sub 2}As{sub 4}, are isotypic with the previously reported Ca{sub 3}Al{sub 2}As{sub 4} (space group C2/c (No. 15)), while Ba{sub 3}Al{sub 2}P{sub 4} and Ba{sub 3}Al{sub 2}As{sub 4} adopt a different structure known for Na{sub 3}Fe{sub 2}S{sub 4} (space group Pnma (No. 62). The polyanions in both structures are made up of TrPn{sub 4} tetrahedra, which by sharing common corners and edges, form {sup 2}{sub {infinity}}[TrPn{sub 2}]{sub 3-}layers in the former and {sup 1}{sub {infinity}}[TrPn{sub 2}]{sub 3-} chains in Ba{sub 3}Al{sub 2}P{sub 4} and Ba{sub 3}Al{sub 2}As{sub 4}. Highlights: Black-Right-Pointing-Pointer AE{sub 3}Ga{sub 2}Pn{sub 4} (AE=Ca, Sr, Ba, Eu; Pn=P, As) are new ternary pnictides. Black-Right-Pointing-Pointer Ba{sub 3}Al{sub 2}P{sub 4} and Ba{sub 3}Al{sub 2}As{sub 4} adopt the Na{sub 3}Fe{sub 2}S{sub 4} structure type. Black-Right-Pointing-Pointer The Sr- and Ca-compounds crystallize with the Ca{sub 3}Al{sub 2}As{sub 4} structure type. Black-Right-Pointing-Pointer The valence electron count for all title compounds follows the Zintl-Klemm rules.

  14. Structural characterization of the perovskite series Sr{sub 1?x}La{sub x}Ti{sub 0.5}Mn{sub 0.5}O{sub 3}

    SciTech Connect (OSTI)

    Qasim, Ilyas [School of Chemistry, The University of Sydney, Sydney, NSW 2006 (Australia); Kennedy, Brendan J., E-mail: B.Kennedy@chem.usyd.edu.au [School of Chemistry, The University of Sydney, Sydney, NSW 2006 (Australia)

    2013-04-15T23:59:59.000Z

    The perovskite-type compounds Sr{sub 1?x}La{sub x}Ti{sub 0.5}Mn{sub 0.5}O{sub 3}, x=0, 0.1, 0.2, 0.3, 0.4 and 0.5 have been synthesized by solid-state methods, and their room temperature structures determined using X-ray synchrotron powder diffraction. The x=0.0 end member, SrMn{sub 0.5}Ti{sub 0.5}O{sub 3} is cubic in space group Pm3{sup Ż}m; there being no evidence for ordering of the Ti{sup 4+} and Mn{sup 4+} cations. We find that x=0.5 compound is rhombohedral in R3{sup Ż}c rather than orthorhombic as reported previously. Magnetic measurements suggest that both SrMn{sub 0.5}Ti{sub 0.5}O{sub 3} and Sr{sub 0.5}La{sub 0.5}Mn{sub 0.5}Ti{sub 0.5}O{sub 3} are spin-glasses. - Graphical abstract: A cubic–rhombohedral phase-transition is observed cation disordered perovskites Sr{sub 1?x}La{sub x}Ti{sub 0.5}Mn{sub 0.5}O{sub 3}. Both end members are spin-glasses. Highlights: ? Structural studies of Sr{sub 1?x}La{sub x}Ti{sub 0.5}Nb{sub 0.5}O{sub 3} perovskites, show lack of long range Mn:Ti order. ? Magnetic properties indicative of spin-glass behavior. ? Changes of crystal structure from cubic to rhombohedral with increasing lanthanum content.

  15. Photoluminescence in the Ca{sub x}Sr{sub 1-x}WO{sub 4} system at room temperature

    SciTech Connect (OSTI)

    Porto, S.L. [Laboratorio de Combustiveis e Materiais (LACOM/DQ/CCEN), Universidade Federal da Paraiba, Campus I, Cidade Universitaria, Joao Pessoa, PB, CEP 58059-900 (Brazil); Longo, E. [CMDMC/LIEC, Instituto de Quimica, UNESP-Araraquara, Rua Prof. Francisco Degni s/n, Araraquara, SP, CEP 14800-900 (Brazil); Pizani, P.S.; Boschi, T.M. [Departamento de Fisica, Universidade Federal de Sao Carlos, Sao Carlos, Rodovia Washington Luiz km 235, SP, CEP 13565-905 (Brazil); Simoes, L.G.P. [Centro Multidisciplinar de Desenvolvimento de Materiais Ceramicos (LIEC/DQ), Universidade Federal de Sao Carlos, Rodovia Washington Luiz km 235, Sao Carlos, SP, CEP 13565-905 (Brazil); Lima, S.J.G. [Laboratorio de Solidificacao Rapida, Departamento de Tecnologia Mecanica (LSR/DTM/CT), Universidade Federal da Paraiba, Campus I, Cidade Universitaria, Joao Pessoa, PB, CEP 58059-900 (Brazil); Ferreira, J.M. [Laboratorio de Combustiveis e Materiais (LACOM/DQ/CCEN), Universidade Federal da Paraiba, Campus I, Cidade Universitaria, Joao Pessoa, PB, CEP 58059-900 (Brazil); COAMA, Area de Meio Ambiente, Centro Federal de Educacao Tecnologica da Paraiba, Av. 1o de Maio 720, Jaguaribe, Joao Pessoa, PB, CEP 58015-430 (Brazil); Soledade, L.E.B.; Espinoza, J.W.M.; Cassia-Santos, M.R.; Maurera, M.A.M.A. [Laboratorio de Combustiveis e Materiais (LACOM/DQ/CCEN), Universidade Federal da Paraiba, Campus I, Cidade Universitaria, Joao Pessoa, PB, CEP 58059-900 (Brazil); Paskocimas, C.A. [Departamento de Engenharia Mecanica, Universidade Federal do Rio Grande do Norte, Natal, RN, CEP 59072-970 (Brazil); Santos, I.M.G. [Laboratorio de Combustiveis e Materiais (LACOM/DQ/CCEN), Universidade Federal da Paraiba, Campus I, Cidade Universitaria, Joao Pessoa, PB, CEP 58059-900 (Brazil)], E-mail: ieda@quimica.ufpb.br; Souza, A.G. [Laboratorio de Combustiveis e Materiais (LACOM/DQ/CCEN), Universidade Federal da Paraiba, Campus I, Cidade Universitaria, Joao Pessoa, PB, CEP 58059-900 (Brazil)

    2008-08-15T23:59:59.000Z

    In this work, a study was undertaken about the structural and photoluminescent properties, at room temperature, of powder samples from the Ca{sub x}Sr{sub 1-x}WO{sub 4} (x=0-1.0) system, synthesized by a soft chemical method and heat treated between 400 and 700 deg. C. The material was characterized using Infrared, UV-vis and Raman spectroscopy and XRD. The most intense PL emission was obtained for the sample calcined at 600 deg. C, which is neither highly disordered (400-500 deg. C), nor completely ordered (700 deg. C). Corroborating the role of disorder in the PL phenomenon, the most intense PL response was not observed for pure CaWO{sub 4} or SrWO{sub 4}, but for Ca{sub 0.6}Sr{sub 0.4}WO{sub 4}. The PL emission spectra could be separated into two Gaussian curves. The lower wavelength peak is placed around 530 nm, and the higher wavelength peak at about 690 nm. Similar results were reported in the literature for both CaWO{sub 4} and SrWO{sub 4}. - Graphical abstract: The structural and room temperature photoluminescence of Ca{sub x}Sr{sub 1-x}WO4 synthesized by a soft chemical method was studied. The most intense PL emission was obtained for the sample calcined at 600 deg. C, that is neither highly disordered (400-500 deg. C), nor completely ordered (700 deg. C). Corroborating the role of disorder in the PL phenomenon, the most intense PL response was not observed for pure CaWO{sub 4} or SrWO{sub 4}, but for Ca{sub 0.6}Sr{sub 0.4}WO{sub 4}.

  16. Observation of ?<sub>cJ> decaying into the pp?K?K? final state

    SciTech Connect (OSTI)

    Ablikim, M.; Achasov, M. N.; Alberto, D.; An, L.; An, Q.; An, Z. H.; Bai, J. Z.; Baldini, R.; Ban, Y.; Becker, J.; Berger, N.; Bertani, M.; Bian, J. M.; Bondarenko, O.; Boyko, I.; Briere, R. A.; Bytev, V.; Cai, X.; Cao, G. F.; Cao, X. X.; Chang, J. F.; Chelkov, G.; Chen, G.; Chen, H. S.; Chen, J. C.; Chen, M. L.; Chen, S. J.; Chen, Y.; Chen, Y. B.; Cheng, H. P.; Chu, Y. P.; Cronin-Hennessy, D.; Dai, H. L.; Dai, J. P.; Dedovich, D.; Deng, Z. Y.; Denysenko, I.; Destefanis, M.; Ding, Y.; Dong, L. Y.; Dong, M. Y.; Du, S. X.; Fan, R. R.; Fang, J.; Fang, S. S.; Feng, C. Q.; Fu, C. D.; Fu, J. L.; Gao, Y.; Geng, C.; Goetzen, K.; Gong, W. X.; Greco, M.; Grishin, S.; Gu, M. H.; Gu, Y. T.; Guan, Y. H.; Guo, A. Q.; Guo, L. B.; Guo, Y. P.; Hao, X. Q.; Harris, F. A.; He, K. L.; He, M.; He, Z. Y.; Heng, Y. K.; Hou, Z. L.; Hu, H. M.; Hu, J. F.; Hu, T.; Huang, B.; Huang, G. M.; Huang, J. S.; Huang, X. T.; Huang, Y. P.; Hussain, T.; Ji, C. S.; Ji, Q.; Ji, X. B.; Ji, X. L.; Jia, L. K.; Jiang, L. L.; Jiang, X. S.; Jiao, J. B.; Jiao, Z.; Jin, D. P.; Jin, S.; Jing, F. F.; Kalantar-Nayestanaki, N.; Kavatsyuk, M.; Komamiya, S.; Kuehn, W.; Lange, J. S.; Leung, J. K. C.; Li, Cheng; Li, Cui; Li, D. M.; Li, F.; Li, G.; Li, H. B.; Li, J. C.; Li, Lei; Li, N. B.; Li, Q. J.; Li, W. D.; Li, W. G.; Li, X. L.; Li, X. N.; Li, X. Q.; Li, X. R.; Li, Z. B.; Liang, H.; Liang, Y. F.; Liang, Y. T.; Liao, G. R.; Liao, X. T.; Liu, B. J.; Liu, B. J.; Liu, C. L.; Liu, C. X.; Liu, C. Y.; Liu, F. H.; Liu, Fang; Liu, Feng; Liu, G. C.; Liu, H.; Liu, H. B.; Liu, H. M.; Liu, H. W.; Liu, J. P.; Liu, K.; Liu, K. Y.; Liu, Q.; Liu, S. B.; Liu, X.; Liu, X. H.; Liu, Y. B.; Liu, Y. W.; Liu, Yong; Liu, Z. A.; Liu, Z. Q.; Loehner, H.; Lu, G. R.; Lu, H. J.; Lu, J. G.; Lu, Q. W.; Lu, X. R.; Lu, Y. P.; Luo, C. L.; Luo, M. X.; Luo, T.; Luo, X. L.; Ma, C. L.; Ma, F. C.; Ma, H. L.; Ma, Q. M.; Ma, T.; Ma, X.; Ma, X. Y.; Maggiora, M.; Malik, Q. A.; Mao, H.; Mao, Y. J.; Mao, Z. P.; Messchendorp, J. G.; Min, J.; Mitchell, R. E.; Mo, X. H.; Muchnoi, N. Yu.; Nefedov, Y.; Ning, Z.; Olsen, S. L.; Ouyang, Q.; Pacetti, S.; Pelizaeus, M.; Peters, K.; Ping, J. L.; Ping, R. G.; Poling, R.; Pun, C. S. J.; Qi, M.; Qian, S.; Qiao, C. F.; Qin, X. S.; Qiu, J. F.; Rashid, K. H.; Rong, G.; Ruan, X. D.; Sarantsev, A.; Schulze, J.; Shao, M.; Shen, C. P.; Shen, X. Y.; Sheng, H. Y.; Shepherd, M. R.; Song, X. Y.; Sonoda, S.; Spataro, S.; Spruck, B.; Sun, D. H.; Sun, G. X.; Sun, J. F.; Sun, S. S.; Sun, X. D.; Sun, Y. J.; Sun, Y. Z.; Sun, Z. J.; Sun, Z. T.; Tang, C. J.; Tang, X.; Tang, X. F.; Tian, H. L.; Toth, D.; Varner, G. S.; Wan, X.; Wang, B. Q.; Wang, K.; Wang, L. L.; Wang, L. S.; Wang, M.; Wang, P.; Wang, P. L.; Wang, Q.; Wang, S. G.; Wang, X. L.; Wang, Y. D.; Wang, Y. F.; Wang, Y. Q.; Wang, Z.; Wang, Z. G.; Wang, Z. Y.; Wei, D. H.; Wen, Q. G.; Wen, S. P.; Wiedner, U.; Wu, L. H.; Wu, N.; Wu, W.; Wu, Z.; Xiao, Z. J.; Xie, Y. G.; Xu, G. F.; Xu, G. M.; Xu, H.; Xu, Y.; Xu, Z. R.; Xu, Z. Z.; Xue, Z.; Yan, L.; Yan, W. B.; Yan, Y. H.; Yang, H. X.; Yang, M.; Yang, T.; Yang, Y.; Yang, Y. X.; Ye, M.; Ye, M. H.; Yu, B. X.; Yu, C. X.; Yu, L.; Yuan, C. Z.; Yuan, W. L.; Yuan, Y.; Zafar, A. A.; Zallo, A.; Zeng, Y.; Zhang, B. X.; Zhang, B. Y.; Zhang, C. C.; Zhang, D. H.; Zhang, H. H.; Zhang, H. Y.; Zhang, J.; Zhang, J. W.; Zhang, J. Y.; Zhang, J. Z.; Zhang, L.; Zhang, S. H.; Zhang, T. R.; Zhang, X. J.; Zhang, X. Y.; Zhang, Y.; Zhang, Y. H.; Zhang, Z. P.; Zhang, Z. Y.; Zhao, G.; Zhao, H. S.; Zhao, Jiawei; Zhao, Jingwei; Zhao, Lei; Zhao, Ling; Zhao, M. G.; Zhao, Q.; Zhao, S. J.; Zhao, T. C.; Zhao, X. H.; Zhao, Y. B.; Zhao, Z. G.; Zhao, Z. L.; Zhemchugov, A.; Zheng, B.; Zheng, J. P.; Zheng, Y. H.; Zheng, Z. P.; Zhong, B.; Zhong, J.; Zhong, L.; Zhou, L.; Zhou, X. K.; Zhou, X. R.; Zhu, C.; Zhu, K.; Zhu, K. J.; Zhu, S. H.; Zhu, X. L.; Zhu, X. W.; Zhu, Y. S.; Zhu, Z. A.; Zhuang, J.; Zou, B. S.; Zou, J. H.; Zuo, J. X.; Zweber, P.

    2011-06-01T23:59:59.000Z

    First measurements of the decays of the three ?<sub>cJ> states to pp?K?K? final states are presented. Intermediate ??K?K? and ?(1520)?pK? resonance states are observed, and branching fractions for ?<sub>cJ>?p?K??(1520), ?(1520)?ŻŻŻ(1520), and ?pp? are reported. We also measure branching fractions for direct ?<sub>cJ>?pp?K?K? decays. These are first observations of ?<sub>cJ> decays to unstable baryon resonances and provide useful information about the ?<sub>cJ> states. The experiment uses samples of ?<sub>cJ> mesons produced via radiative transitions from 106×10? ?' mesons collected in the BESIII detector at the BEPCII e?e? collider.

  17. Three-dimensional topological insulators Bi{sub 2}Te{sub 3}, Bi{sub 2}Se{sub 3}, and Bi{sub 2}Te{sub 2}Se - a microwave spectroscopy study

    SciTech Connect (OSTI)

    Wolos, A. [Institute of Physics, Polish Academy of Sciences, Al. Lotnikow 32/46, 02-668 Warsaw, Poland and Faculty of Physics, University of Warsaw, ul Hoza 69, 00-681 Warsaw (Poland); Drabinska, A.; Szyszko, S.; Kaminska, M. [Faculty of Physics, University of Warsaw, ul Hoza 69, 00-681 Warsaw (Poland); Strzelecka, S. G.; Hruban, A.; Materna, A.; Piersa, M. [Institute of Electronic Materials Technology, ul. Wolczynska 133, 01-919 Warsaw (Poland)

    2013-12-04T23:59:59.000Z

    We present results of investigations of three-dimensional topological insulators from a family of bismuth compounds performed in electron spin resonance spectrometer. Next to the standard spin resonance spectra in Bi{sub 2}Se{sub 3} originating from bulk conduction electrons (g{sub Verbar;} = 27.5 ± 0.1 and g{sub ?} = 19.5 ± 0.1), we observed also cyclotron resonance due to topological surface states in Bi{sub 2}Te{sub 3} and non-resonant signal related to weak anti-localization in Bi{sub 2}Te{sub 2}Se. The analysis of the cyclotron resonance signal yields low Fermi velocity equal to 3250 m/s in Bi{sub 2}Te{sub 3}. The phase coherence length determined from weak anti-localization signal equals to 550 nm at low temperatures in Bi{sub 2}Te{sub 2}Se. Relation of the signals to bulk, topological surface or two-dimensional quantum well states is discussed and where possible indicated.

  18. CO{sub 2} SEQUESTRATION POTENTIAL OF TEXAS LOW-RANK COALS

    SciTech Connect (OSTI)

    Duane A. McVay; Walter B. Ayers Jr; Jerry L. Jensen

    2005-02-01T23:59:59.000Z

    The objectives of this project are to evaluate the feasibility of carbon dioxide (CO{sub 2}) sequestration in Texas low-rank coals and to determine the potential for enhanced coalbed methane (CBM) recovery as an added benefit of sequestration. There were three main objectives for this reporting period, which related to obtaining accurate parameters for reservoir model description and modeling reservoir performance of CO{sub 2} sequestration and enhanced coalbed methane recovery. The first objective was to collect and desorb gas from 10 sidewall core coal samples from an Anadarko Petroleum Corporation well (APCL2 well) at approximately 6,200-ft depth in the Lower Calvert Bluff Formation of the Wilcox Group in east-central Texas. The second objective was to measure sorptive capacities of these Wilcox coal samples for CO{sub 2}, CH{sub 4}, and N{sub 2}. The final objective was to contract a service company to perform pressure transient testing in Wilcox coal beds in a shut-in well, to determine permeability of deep Wilcox coal. Bulk density of the APCL2 well sidewall core samples averaged 1.332 g/cc. The 10 sidewall core samples were placed in 4 sidewall core canisters and desorbed. Total gas content of the coal (including lost gas and projected residual gas) averaged 395 scf/ton on an as-received basis. The average lost gas estimations were approximately 45% of the bulk sample total gas. Projected residual gas was 5% of in-situ gas content. Six gas samples desorbed from the sidewall cores were analyzed to determine gas composition. Average gas composition was approximately 94.3% methane, 3.0% ethane, and 0.7% propane, with traces of heavier hydrocarbon gases. Carbon dioxide averaged 1.7%. Coal from the 4 canisters was mixed to form one composite sample that was used for pure CO{sub 2}, CH{sub 4}, and N{sub 2} isotherm analyses. The composite sample was 4.53% moisture, 37.48% volatile matter, 9.86% ash, and 48.12% fixed carbon. Mean vitrinite reflectance was 0.54%. Coal rank was high-volatile C to B bituminous. Comparison of the desorbed gas content (395 scf/ton, as received) at reservoir pressure (2,697 psi) with the sorption isotherm indicates that Lower Calvert Bluff coal at this well site is oversaturated, but lost gas may have been overestimated. This high gas content suggests that little or no depressurization would be required to initiate methane production. Sorption isotherms results indicate that the sorptive capacity of CO{sub 2} is about 2.5 times that of CH{sub 4} at 1,000 psia. This ratio is similar to that of higher rank bituminous coals from other basins (e.g., Carroll, and Pashin, 2003), and it is very low in comparison to results of other low-rank coals and to the values that we used in our preliminary reservoir modeling. If this value from the APCL2 well is representative, Wilcox coals in this area will sequester less CO{sub 2} on a per ton basis than we had earlier inferred. However, because measured methane contents are higher, enhanced coalbed methane production potential is greater than we earlier inferred. Pressure transient testing for determining coal fracture permeability will be conducted soon by Pinnacle Technologies. The data from these analyses will be used to finalize our coal model for the reservoir simulation phase of the project.

  19. Morphology of silver on YBa sub 2 Cu sub 3 O sub 7 minus. delta. thin films

    SciTech Connect (OSTI)

    Roshko, A.; Ono, R.H.; Beall, J.A.; Moreland, J. (National Inst. of Standards and Technology, Boulder, CO (US)); Nelson, A.J.; Asher, S.E. (Solar Energy Research Inst., Golden, CO (United States))

    1991-03-01T23:59:59.000Z

    This paper examines the morphology of silver layers deposited and annealed on laser ablated YBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} films. Silver was found to dewet the YBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} (001) surface on annealing in oxygen and nitrogen. This dewetting behavior may be kinetically inhibited by using either thick silver layers or short anneals and low temperatures. Silver layers 70 nm to 2.5 {mu}m thick were studied on films deposited on SrTiO{sub 3}, LaAlO{sub 3} and MgO substrates. Anneal times were varied from 6.5 min to 15 hrs at temperatures from 200 to 700{degrees}C.

  20. Giant magnetocaloric effect in magnetoelectric Eu{sub 1-x}Ba{sub x}TiO{sub 3}

    SciTech Connect (OSTI)

    Rubi, Km; Kumar, Pawan; Maheswar Repaka, D. V.; Chen, Ruofan; Wang, Jian-Sheng; Mahendiran, R., E-mail: phyrm@nus.edu.sg [Department of Physics, 2 Science Drive 3, Faculty of Science, National University of Singapore, Singapore 117551 (Singapore)

    2014-01-20T23:59:59.000Z

    We report the magnetic entropy change (?S{sub m}) in magnetoelectric Eu{sub 1-x}Ba{sub x}TiO{sub 3} for 0.1???x???0.9. We find ??S{sub m}?=?11 (40) J/kg·K in x?=?0.1 for a field change of 1 (5) T, respectively, which is the largest value among all Eu-based oxides. ?S{sub m} arises from the field-induced suppression of the spin entropy of Eu{sup 2+}:4f{sup 7} localized moments. While ???S{sub m}? decreases with increasing x, ???S{sub m}??=?6.58?J/kg·K observed in the high spin diluted composition x?=?0.9 is larger than that in many manganites. Our results indicate that these magnetoelectrics are potential candidates for cryogenic magnetic refrigeration.

  1. Dispersion states and acid properties of SiO{sub 2}-supported Nb{sub 2}O{sub 5}

    SciTech Connect (OSTI)

    He, Jie, E-mail: jhe@aust.edu.cn [School of Chemical Engineering, Anhui University of Science and Technology, Huainan 232001 (China); Li, Qing-Jie [School of Chemical Engineering, Anhui University of Science and Technology, Huainan 232001 (China); Fan, Yi-Ning [Key Laboratory of Mesoscopic Chemistry of MOE, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093 (China)

    2013-06-15T23:59:59.000Z

    Nb{sub 2}O{sub 5}/SiO{sub 2} samples were prepared by the incipient-wetness impregnation method using niobium oxalate aqueous solution. The microstructure and dispersion process of the niobia species supported on SiO{sub 2} were characterized by means of power X-ray diffraction (XRD), laser Raman spectroscopy (LRS), and UV–vis diffuse reflectance spectroscopy (UV–vis DRS). The acid properties were investigated by the method of Hammett indicator and Pyridine adsorption infrared (Py-IR) spectroscopy. The results showed that the dispersion process of Nb{sub 2}O{sub 5} was performed by consuming surface hydroxyl groups of the amorphous SiO{sub 2} support. The aggregation of niobia species led to the formation of microcrystalline particles, so that there was no a clear monolayer dispersion capacity for Nb{sub 2}O{sub 5} supported on amorphous SiO{sub 2}. Furthermore, the catalytic activities of the as-prepared samples were evaluated by the condensation reaction of iso-butene (IB) and iso-butyraldehyde (IBA) to form 2,5-dimethyl-2,4-hexadiene (DMHD). The catalytic activities of the as-prepared samples for the condensation and their acid properties were strongly affected by the dispersion states. - Graphical abstract: The acid amount and strength of Nb{sub 2}O{sub 5}/SiO{sub 2} samples varied with the increase of Nb{sub 2}O{sub 5} loading. The catalytic activities of the as-prepared samples for the condensation and their acid properties were strongly affected by the dispersion states. - Highlights: • The dispersed process of Nb{sub 2}O{sub 5} was completed by consuming surface hydroxyl groups of SiO{sub 2}. • XRD quantitative phase analysis is not applicable for oxides dispersing on amorphous support. • The catalytic activity of Nb{sub 2}O{sub 5}/SiO{sub 2} is closely related to the dispersion state of SiO{sub 2}.

  2. Crystal structure analysis of lead free Ba{sub 1-x}La{sub x}[Ti{sub 0.5}(Fe{sub 0.5}Nb{sub 0.5}){sub 0.5}]{sub 1-x/4}O{sub 3} Ceramics

    SciTech Connect (OSTI)

    Patel, Piyush Kumar; Rani, Jyoti; Yadav, K. L. [Smart Materials Research Laboratory, Department of Physics Indian Institute of Technology, Roorkee-247667 (India)

    2012-06-05T23:59:59.000Z

    Single phase Ba{sub 1-x}La{sub x}[Ti{sub 0.5}(Fe{sub 0.5}Nb{sub 0.5}){sub 0.5}]{sub 1-x/4}O{sub 3} [referred as BT-LFN]; x=0, 0.02, 0.04 and 0.06 ceramics have been synthesized by solid - state reaction process and were characterized by X-ray diffraction technique. The microstructure of the ceramics was examined by field emission-scanning electron microscopy (FE-SEM).

  3. Phase transitions in K{sub 3}AlF{sub 6}

    SciTech Connect (OSTI)

    Abakumov, Artem M. [Department of Chemistry, Moscow State University, Moscow 119992 (Russian Federation)]. E-mail: abakumov@icr.chem.msu.ru; Rossell, Marta D. [EMAT, University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerp (Belgium); Alekseeva, Anastasiya M. [Department of Chemistry, Moscow State University, Moscow 119992 (Russian Federation); Vassiliev, Sergey Yu. [Department of Chemistry, Moscow State University, Moscow 119992 (Russian Federation); Mudrezova, Svetlana N. [Department of Chemistry, Moscow State University, Moscow 119992 (Russian Federation); Tendeloo, Gustaaf van [EMAT, University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerp (Belgium); Antipov, Evgeny V. [Department of Chemistry, Moscow State University, Moscow 119992 (Russian Federation)

    2006-02-15T23:59:59.000Z

    Phase transitions in the elpasolite-type K{sub 3}AlF{sub 6} complex fluoride were investigated using differential scanning calorimetry, electron diffraction and X-ray powder diffraction. Three phase transitions were identified with critical temperatures T{sub 1}=132 deg. C, T{sub 2}=153 deg. C and T{sub 3}=306 deg. C. The {alpha}-K{sub 3}AlF{sub 6} phase is stable below T{sub 1} and crystallizes in a monoclinic unit cell with a=18.8588(2)A, b=34.0278(2)A, c=18.9231(1)A, {beta}=90.453(1){sup o} (a=2a{sub c}-c{sub c}, b=4b{sub c}, c=a{sub c}+2c{sub c}; a{sub c}, b{sub c}, c{sub c}-the basic lattice vectors of the face-centered cubic elpasolite structure) and space group I2/a or Ia. The intermediate {beta} phase exists only in very narrow temperature interval between T{sub 1} and T{sub 2}. The {gamma} polymorph is stable in the T{sub 2}sub 3} temperature range and has an orthorhombic unit cell with a=36.1229(6)A, b=17.1114(3)A, c=12.0502(3)A (a=3a{sub c}-3c{sub c}, b=2b{sub c}, c=a{sub c}+c{sub c}) at 250 deg. C and space group Fddd. Above T{sub 3} the cubic {delta} polymorph forms with a{sub c}=8.5786(4)A at 400 deg. C and space group Fm3-bar m. The similarity between the K{sub 3}AlF{sub 6} and K{sub 3}MoO{sub 3}F{sub 3} compounds is discussed.

  4. Catalytic process for control of NO<sub>x sub>emissions using hydrogen

    DOE Patents [OSTI]

    Sobolevskiy, Anatoly; Rossin, Joseph A.; Knapke, Michael J.

    2010-05-18T23:59:59.000Z

    A selective catalytic reduction process with a palladium catalyst for reducing NOx in a gas, using hydrogen as a reducing agent. A zirconium sulfate (ZrO<sub>2sub>)SO>4 sub>catalyst support material with about 0.01-2.0 wt. % Pd is applied to a catalytic bed positioned in a flow of exhaust gas at about 70-200.degree. C. The support material may be (ZrO<sub>2sub>--SiO>2sub>)SO>4sub>. H<sub>2sub>O and hydrogen may be injected into the exhaust gas upstream of the catalyst to a concentration of about 15-23 vol. % H<sub>2sub>O and a molar ratio for H<sub>2sub>/NO>x sub>in the range of 10-100. A hydrogen-containing fuel may be synthesized in an Integrated Gasification Combined Cycle power plant for combustion in a gas turbine to produce the exhaust gas flow. A portion of the fuel may be diverted for the hydrogen injection.

  5. Thickness dependent functional properties of PbZr{sub 0.52}Ti{sub 0.48}O{sub 3}/La{sub 0.67}Sr{sub 0.33}MnO{sub 3} heterostructures

    SciTech Connect (OSTI)

    Barrionuevo, D.; Ortega, N.; Katiyar, R. S. [Department of Physics and Institute of Functional Nanomaterials, University of Puerto Rico, San Juan, Puerto Rico 00931-3343 (United States); Kumar, A. [National Physical Laboratory (CSIR), Dr. K. S. Krishnan Road, New Delhi 110012 (India); Chatterjee, R. [Indian Institute of Technology, Hauz Khas, New Delhi (India); Scott, J. F. [Department of Physics and Institute of Functional Nanomaterials, University of Puerto Rico, San Juan, Puerto Rico 00931-3343 (United States); Earth Science Department, University of Cambridge, Cambridge CB2 3EQ (United Kingdom)

    2013-12-21T23:59:59.000Z

    The ultra thin ferroelectric PbZr{sub 0.52}Ti{sub 0.48}O{sub 3} (PZT) films with various thicknesses ranging from 100 (P100) to 10 (P10) nm were grown on La{sub 0.67}Sr{sub 0.33}MnO{sub 3}/(LaAlO{sub 3}){sub 0.3}(Sr{sub 2}AlTaO{sub 6}){sub 0.7} (LSMO/LSAT) (001) substrates deposited by pulsed laser deposition technique. The x-ray diffraction patterns of the heterostructures show only (00l) (l?=?1 and/or 2) reflections corresponding to the LSAT substrate, PZT, and LSMO layers. The atomic force microscopy studies show that the root mean square surface roughnesses of P100 and P10 films are 2.39 and 0.99?nm, respectively. An increase of both real (??) and imaginary (??) permittivities was observed when thickness of PZT increases from 10?nm to 100?nm. Temperature dependent ?? presents an anomaly, related to ferromagnetic-metal to paramagnetic-insulator transition of the LSMO, in the range of 350–500?K. The dielectric anomalies and magnetic phase transition temperature shifted to the lower temperature values with decrease in the PZT films thicknesses. The values of the remanent polarization (P{sub r}) and coercive field (E{sub c}) of the heterostructures were in the range of 24–42??C/cm{sup 2}–170–1300?kV/cm. An appreciable increase of saturated magnetization (M{sub s}) was observed with increase of PZT layer thickness. The average M{sub s} values of PZT/LSMO heterostructure were 170, 150, 100, and 45?emu/cm{sup 3} for 100, 50, 25, and 10?nm at 300?K, respectively. Enhancement in magnetization with increase in PZT thickness may be due to the interface effect between PZT/LSMO layers.

  6. Synthesis and crystal structure of new layered BaNaSc(BO{sub 3}){sub 2} and BaNaY(BO{sub 3}){sub 2} orthoborates

    SciTech Connect (OSTI)

    Seryotkin, Yurii V., E-mail: yuvs@uiggm.nsc.r [Institute of Geology and Mineralogy RAS, 3, Koptyuga avenue, 630090 Novosibirsk (Russian Federation); Novosibirsk State University, 2, Pirogova street, 630090 Novosibirsk (Russian Federation); Bakakin, Vladimir V. [Institute of Inorganic Chemistry RAS, 3, Lavrentieva avenue, 630090 Novosibirsk (Russian Federation); Kokh, Aleksandr E.; Kononova, Nadezhda G. [Institute of Geology and Mineralogy RAS, 3, Koptyuga avenue, 630090 Novosibirsk (Russian Federation); Svetlyakova, Tatyana N. [Institute of Geology and Mineralogy RAS, 3, Koptyuga avenue, 630090 Novosibirsk (Russian Federation); Novosibirsk State University, 2, Pirogova street, 630090 Novosibirsk (Russian Federation); Kokh, Konstantin A. [Institute of Geology and Mineralogy RAS, 3, Koptyuga avenue, 630090 Novosibirsk (Russian Federation); Drebushchak, Tatyana N. [Novosibirsk State University, 2, Pirogova street, 630090 Novosibirsk (Russian Federation); Institute of Solid State Chemistry and Mechanochemistry RAS, 18, Kutateladze street, 630128 Novosibirsk (Russian Federation)

    2010-05-15T23:59:59.000Z

    Crystals of two new layered BaNaSc(BO{sub 3}){sub 2} (I) and BaNaY(BO{sub 3}){sub 2} (II) orthoborates are grown from the melt-solution by the spontaneous crystallization onto the platinum loop. Single crystal X-ray analysis showed that the compounds are isostructural with the space group R3-bar, a=5.23944(12) and 5.3338(2) A, and c=34.5919(11) and 35.8303(19) A for I and II, respectively, Z=6. The distinctive feature of the structure is the close-packed composite anion-cation (Ba,Na)(BO{sub 3}) layers. The layers are combined into the base building packages of two types: {l_brace}M{sup 3+}[Ba{sup 2+}(BO{sub 3}){sup 3-}]{sub 2}{r_brace}{sup +} and {l_brace}M{sup 3+}[Na{sup +}(BO{sub 3}){sup 3-}]{sub 2}{r_brace}{sup -}, where M is Sc or Y. Neutral-charge two-package (four-layer) blocks are stacked by the rhombohedral principle into twelve layers of the cubic packing. - Graphical abstract: The distinctive feature of new orthoborate crystals BaNaSc(BO{sub 3}){sub 2} and BaNaY(BO{sub 3}){sub 2} is the combination of base building packages of two types: {l_brace}M{sup 3+}[Ba{sup 2+}(BO{sub 3}){sup 3-}]{sub 2}{r_brace}{sup +} and {l_brace}M{sup 3+}[Na{sup +}(BO{sub 3}){sup 3-}]{sub 2}{r_brace}{sup -}, where M is Sc or Y.

  7. Luminescence properties of Eu-activated alkaline and alkaline-earth silicate Na{sub 2}Ca{sub 3}Si{sub 6}O{sub 16}

    SciTech Connect (OSTI)

    Wang, Jing [College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou 215123 (China); Huang, Yanlin, E-mail: huang@suda.edu.cn [College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou 215123 (China); Wang, Xigang, E-mail: wangxigang@suda.edu.cn [College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou 215123 (China); Qin, Lin [College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou 215123 (China); Seo, Hyo Jin, E-mail: hjseo@pknu.ac.kr [Department of Physics and Center for Marine-Integrated Biomedical Technology, Pukyong National University, Busan 608-737 (Korea, Republic of)

    2014-07-01T23:59:59.000Z

    Highlights: • A novel yellow-emitting alkaline and alkaline-earth silicate Na{sub 2}Ca{sub 3}Si{sub 6}O{sub 16}:Eu{sup 2+} was first developed. • Under excitation with UV or near UV light the silicate presents broad emission band centered at 580 nm. - Abstract: Yellow-emitting phosphors of Na{sub 2}Ca{sub 3}Si{sub 6}O{sub 16}:Eu{sup 2+} was prepared by wet chemistry sol–gel method. X-ray powder diffraction and SEM measurements were applied to characterize the structure and morphology, respectively. The luminescence properties were investigated by the photoluminescence excitation and emission spectra, decay curve (lifetimes), CIE coordinates and the internal quantum efficiencies. The excitation spectra can match well with the emission light of near UV-LED chips (360–400 nm). Na{sub 2}Ca{sub 3}Si{sub 6}O{sub 16}:Eu{sup 2+} presents a symmetric emission band from 4f{sup 6}5d{sup 1} ? 4f{sup 7}({sup 8}S{sub 7/2}) transitions of Eu{sup 2+} ions on doping below 3.0 mol%. On increasing Eu-doping levels, the sample contains two kinds of emission centers, i.e., Eu{sup 2+} and Eu{sup 3+} ions, which present the characteristic broad band (5d ? 4f) and narrower (4f ? 4f) luminescence lines, respectively. The energy transfer, the luminescence thermal stability (activation energy ?E for thermal quenching) and luminescence mechanism of Na{sub 2}Ca{sub 3}Si{sub 6}O{sub 16}:Eu{sup 2+} phosphors were discussed by analyzing the relationship between the luminescence characteristics and the crystal structure.

  8. Highly tunable electron transport in epitaxial topological insulator (Bi{sub 1-x}Sb{sub x}){sub 2}Te{sub 3} thin films

    SciTech Connect (OSTI)

    He Xiaoyue; Guan Tong; Wang Xiuxia; Feng Baojie; Cheng Peng; Chen Lan; Li Yongqing; Wu Kehui [Institute of Physics, Beijing National Laboratory for Condensed Matter Physics, Chinese Academy of Sciences, Beijing 100190 (China)

    2012-09-17T23:59:59.000Z

    Atomically smooth, single crystalline (Bi{sub 1-x}Sb{sub x}){sub 2}Te{sub 3} films have been grown on SrTiO{sub 3}(111) substrates by molecular beam epitaxy. A full range of Sb-Bi compositions have been studied in order to obtain the lowest possible bulk conductivity. For the samples with optimized Sb compositions (x=0.5{+-}0.1), the carrier type can be tuned from n-type to p-type across the whole thickness with the help of a back-gate. Linear magnetoresistance has been observed at gate voltages close to the maximum in the longitudinal resistance of a (Bi{sub 0.5}Sb{sub 0.5}){sub 2}Te{sub 3} sample. These highly tunable (Bi{sub 1-x}Sb{sub x}){sub 2}Te{sub 3} thin films provide an excellent platform to explore the intrinsic transport properties of the three-dimensional topological insulators.

  9. Crystal structure of Sr{sub 6}Y{sub 2}Al{sub 4}O{sub 15}: XRD refinements and first-principle calculations

    SciTech Connect (OSTI)

    Wang Chunhai, E-mail: chwang81@163.com [National Key Laboratory of Shock Wave and Detonation Physics, Institute of Fluid Physics, CAEP, Mianyang 621900 (China) and Beijing National Laboratory for Molecular Sciences, State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871 (China); Guo Dongfang [College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou 730000 (China); Beijing National Laboratory for Molecular Sciences, State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871 (China); Li Zhaofei; Wang Xiaoming; Lin Jianhua [Beijing National Laboratory for Molecular Sciences, State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871 (China); Zeng Zhengzhi [College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou 730000 (China); Jing Xiping, E-mail: xpjing@pku.edu.cn [Beijing National Laboratory for Molecular Sciences, State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871 (China)

    2012-08-15T23:59:59.000Z

    The ternary oxide phase Sr{sub 6}Y{sub 2}Al{sub 4}O{sub 15} (SYA) was synthesized and the crystal structure was determined by using the X-ray powder diffraction data. Structure of the phase can be considered as an oxygen-deficient perovskite Sr(Y{sub 1/3}Al{sub 2/3})O{sub 2.5} and has a monoclinic C2 (S.G. No. 5) unit cell with the unit cell parameters: a=17.597(1) A, b=5.7408(1) A, c=7.6860(1) A, {beta}=90.7659(3) Degree-Sign , V{sub cell}=776.37(1) A{sup 3}, Z=2. By bond parameter analysis and first-principle calculations, we confirmed the reasonability of our crystal structure model. According to the calculated band structure, SYA has an indirect band gap {approx}4.3 eV and a direct band gap {approx}4.4 eV, which is wide to be transparent to UV and visible lights. We also synthesized other rare-earth isomorphs Sr{sub 6}Ln{sub 2}Al{sub 4}O{sub 15} (Ln=Tb, Dy, Ho, Er, Tm, Yb and Lu) and obtained their cell parameters. - Graphical abstract: Sr{sub 6}Y{sub 2}Al{sub 4}O{sub 15} has a monoclinic unit cell with space group C2 (5) with unit cell parameters: a=17.597(1) A, b=5.7408(1) A, c=7.6860(1) A, {beta}=90.7659(3) Degree-Sign . Highlights: Black-Right-Pointing-Pointer Sr{sub 6}Y{sub 2}Al{sub 4}O{sub 15} (SYA) has an oxygen-deficient perovskite structure Sr(Y{sub 1/3}Al{sub 2/3})O{sub 2.5}. Black-Right-Pointing-Pointer SYA shows C2 symmetry: a=17.597(1) A, b=5.7408(1) A, c=7.6860(1) A, {beta}=90.7659(3) Degree-Sign . Black-Right-Pointing-Pointer SYA has an indirect band gap {approx}4.3 eV and a direct band gap {approx}4.4 eV.

  10. Thermal conductivity of Zn{sub 4{minus}x}Cd{sub x}Sb{sub 3} solid solutions

    SciTech Connect (OSTI)

    Caillat, T.; Borshchevsky, A.; Fleurial, J.P.

    1997-07-01T23:59:59.000Z

    {beta}-Zn{sub 4}Sb{sub 3} was recently identified at the Jet Propulsion Laboratory as a new high performance p-type thermoelectric material with a maximum dimensionless thermoelectric figure of merit ZT of 1.4 at a temperature of 673K. A usual approach, used for many state-of-the-art thermoelectric materials, to further improve ZT values is to alloy {beta}-Zn{sub 4}Sb{sub 3} with isostructural compounds because of the expected decrease in lattice thermal conductivity. The authors have grown Zn{sub 4{minus}x}Cd{sub x}Sb{sub 3} crystals with 0.2 {le} x < 1.2 and measured their thermal conductivity from 10 to 500K. The thermal conductivity values of Zn{sub 4{minus}x}Cd{sub x}Sb{sub 3} alloys are significantly lower than those measured for {beta}-Zn{sub 4}Sb{sub 3} and are comparable to its calculated minimum thermal conductivity. A strong atomic disorder is believed to be primarily at the origin of the very low thermal conductivity of these materials which are also fairly good electrical conductors and are therefore excellent candidates for thermoelectric applications.

  11. Strain induced Z{sub 2} topological insulating state of ?-As{sub 2}Te{sub 3}

    SciTech Connect (OSTI)

    Pal, Koushik [Chemistry and Physics of Materials Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore 560064 (India); Theoretical Sciences Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore 560064 (India); Waghmare, Umesh V., E-mail: waghmare@jncasr.ac.in [Theoretical Sciences Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore 560064 (India)

    2014-08-11T23:59:59.000Z

    Topological insulators are non-trivial quantum states of matter which exhibit a gap in the electronic structure of their bulk form, but a gapless metallic electronic spectrum at the surface. Here, we predict a uniaxial strain induced electronic topological transition (ETT) from a band to topological insulating state in the rhombohedral phase (space group: R3{sup Ż}m) of As{sub 2}Te{sub 3} (?-As{sub 2}Te{sub 3}) through first-principles calculations including spin-orbit coupling within density functional theory. The ETT in ?-As{sub 2}Te{sub 3} is shown to occur at the uniaxial strain ?{sub zz}?=??0.05 (?{sub zz}?=?1.77?GPa), passing through a Weyl metallic state with a single Dirac cone in its electronic structure at the ? point. We demonstrate the ETT through band inversion and reversal of parity of the top of the valence and bottom of the conduction bands leading to change in the ?{sub 2} topological invariant ?{sub 0} from 0 to 1 across the transition. Based on its electronic structure and phonon dispersion, we propose ultra-thin films of As{sub 2}Te{sub 3} to be promising for use in ultra-thin stress sensors, charge pumps, and thermoelectrics.

  12. Fundamental research on gas–solid reaction between CO{sub 2} and Li{sub 2}CuO{sub 2} linking application for solid CO{sub 2} absorbent

    SciTech Connect (OSTI)

    Oh-ishi, Katsuyoshi, E-mail: oh-ishi@kc.chuo-u.ac.jp; Matsukura, Yusuke; Okumura, Takeshi; Matsunaga, Yuuki; Kobayashi, Ryota

    2014-03-15T23:59:59.000Z

    We compared reactivity between CO{sub 2} and Li{sub 2}CuO{sub 2} with that between CO{sub 2} and Li{sub 4}SiO{sub 4} by using XRD, SEM observation, and thermogravimetry in order to study fundamentally a potential of Li{sub 2}CuO{sub 2} oxide for application to solid CO{sub 2} absorbents. The CO{sub 2} absorption ability of Li{sub 2}CuO{sub 2} was examined by measuring rate constants for the gas–solid reaction between perfectly single-phase Li{sub 2}CuO{sub 2} and CO{sub 2} at various temperatures in 100 vol% CO{sub 2} atmosphere using the rate theory with thermogravimetry using rapid heating. The measured rate constants were compared with those reported previously for Li{sub 4}SiO{sub 4} at various temperatures. Almost no difference was found between these rate constants of Li{sub 2}CuO{sub 2} and Li{sub 4}SiO{sub 4} at temperatures less than 660 °C, but at temperatures higher than 670 °C, the rate constants of Li{sub 2}CuO{sub 2} were greater than those of Li{sub 4}SiO{sub 4}. These results demonstrate that Li{sub 2}CuO{sub 2} can outstrip the ability of Li{sub 4}SiO{sub 4} to absorb CO{sub 2}. Moreover, different from Li{sub 4}SiO{sub 4}, the CO{sub 2} absorption ability of Li{sub 2}CuO{sub 2} decays only slightly, even if the atmospheric CO{sub 2} concentration decreases. -- Graphical abstract: Surface changes of Li{sub 2}CuO{sub 2} and Li{sub 4}SiO{sub 4} particles by progression of the gas–solid reactions between CO{sub 2} and these oxides. Highlights: • The CO{sub 2} absorption ability of perfect single-phase Li{sub 2}CuO{sub 2} is reported. • Results show that Li{sub 2}CuO{sub 2} can outstrip the Li{sub 4}SiO{sub 4} ability to absorb CO{sub 2}. • The oxide particle CO{sub 2} absorption ability is size- and surface-state-dependent.

  13. Study of calcium-containing orthophosphates of NaZr{sub 2}(PO{sub 4}){sub 3} structural type by high-temperature X-ray diffraction

    SciTech Connect (OSTI)

    Orlova, A. I.; Kanunov, A. E., E-mail: a.kanunov@mail.ru [Nizhni Novgorod State University (Russian Federation); Samoilov, S. G.; Kazakova, A. Yu.; Kazantsev, G. N. [Leipunsky Institute of Physics and Power Engineering (Russian Federation)] [Leipunsky Institute of Physics and Power Engineering (Russian Federation)

    2013-03-15T23:59:59.000Z

    Orthophosphates Ca{sub 0.5}Ti{sub 2}(PO{sub 4}){sub 3}, Ca{sub 0.5}Zr{sub 2}(PO{sub 4}){sub 3}, Ca{sub 0.75}Zr{sub 2}(SiO{sub 4}){sub 0.5}(PO{sub 4}){sub 2.5}, and CaMg{sub 0.5}Zr{sub 1.5}(PO{sub 4}){sub 3} (structural type NaZr{sub 2}(PO{sub 4}){sub 3}), having different occupancies of interframework positions by calcium, have been prepared by the sol-gel method with the subsequent thermal treatment of dried gels and investigated by IR spectroscopy and X-ray diffraction. The analytical indexing of X-ray diffraction patterns is performed within the sp. gr. R3{sup -}. High-temperature X-ray diffraction was used to investigate the behavior of the orthophosphates upon heating: thermal expansion in the temperature range of 20-610 Degree-Sign C (up to 500 Degree-Sign C for Ca{sub 0.5}Zr{sub 2}(PO{sub 4}){sub 3}). The coefficients of thermal expansion are calculated from the shift of diffraction peaks. The unit-cell parameters of crystals at different temperatures are determined. The dependences of thermal expansion and its anisotropy on the occupancy of cation M positions by calcium are revealed.

  14. Dissociative-recombination product states and the dissociation energy D<sub>0sub> of Ne<sub>2sub>+

    SciTech Connect (OSTI)

    Hardy, K. A.; Peterson, J. R.; Ramos, G.; Sheldon, J. W.

    1998-02-28T23:59:59.000Z

    Final product states of Ne<sub>2sub>+ dissociative recombination were studied using time-of-flight spectroscopy to determine the kinetic energies released. The dissociative recombination occurred in a sustained discharge in the presence of a variable magnetic field and discharge voltage, at pressures of 5-15 mTorr. Under different conditions various excited states were observed ranging from the lowest 3s metastable states to higher Rydbcrg states within 0.000 54 eV of the dissociation limit. From their narrow widths, it is deduced that these higher states arose from Ne<sub>2sub>+ ions with subthermal energies. From two of these narrow distributions, we obtain an improved value for the dissociation limit D<sub>0sub>(Ne>2sub>+)= 1.26±0.02 eV.

  15. Compact Li-doped Gd{sub 2}Ti{sub 2}O{sub 7} prepared with LiO{sub 0.5} self-flux

    SciTech Connect (OSTI)

    Wen, L.C.; Hsieh, H.Y.; Chang, S.C.; Lin, M.Y.; Lee, Y.H.; Su, W.P. [Department of Chemistry, Tamkang University, New Taipei City 25137, Taiwan (China); Kao, H.-C.I., E-mail: kaohci@mail.tku.edu.tw [Department of Chemistry, Tamkang University, New Taipei City 25137, Taiwan (China); Sheu, H.S.; Jang, L.Y. [National Synchrotron Radiation Research Center, Hsinchu 30076, Taiwan (China); Lee, M.C.; Lee, Y.S. [Institute of Nuclear Energy Research, Atomic Energy Council, Longtan 32546, Taiwan (China)

    2014-02-01T23:59:59.000Z

    Graphical abstract: Left figure is the unit cell a-axis of the GLT-2L (?), GLT (?) and GT (?) as a function of x. Both of the GLT-2L and GLT have the same results so that they have the same chemical formula, (Gd{sub 2?x}Li{sub x})Ti{sub 2}O{sub 7?x}, in which GT has a formula of Gd{sub 2?x}Ti{sub 2}O{sub 7?x}. Relative densities are shown in the right figure. GLT-2L (?) has higher values than GLT (?). 2x moles of LiO{sub 0.5} were added as a self-flux to prepare GLT-2L at 1250 °C, which was about 300 °C lowered than required without the co-existence of the flux and Li ion substitution. - Highlights: • A new series of compounds with a formula as (Gd{sub 2?x}Li{sub x})Ti{sub 2}O{sub 7?x} was synthesized. • Each GLT-2L sample contains (Gd{sub 2?x}Li{sub x})Ti{sub 2}O{sub 7?x} and 2x moles of LiO{sub 0.5} self-flux. • 1250 °C was used to prepare the GLT-2L samples; 300 °C lower than required. • Electrical conductivity of the GLT-2L is not affected by the presence of the flux. • Average valence of the Ti ions is slightly less than 4. - Abstract: A series of (Gd{sub 2?x}Li{sub x})Ti{sub 2}O{sub 7?x} with x = 0.040–0.110 was first reported. Parent compound with 2x moles of LiO{sub 0.5} self-flux was prepared at 1250 °C and abbreviated as GLT-2L. Relative density of all the samples is higher than 92%. By the addition of flux and Li ions substitution, preparation temperature is lowered for more than 300 °C. Comparing the unit cell a-axis, GLT with a formula as (Gd{sub 2?x}Li{sub x})Ti{sub 2}O{sub 7?x} without flux addition has exactly the same as the GLT-2L with the same x. By the addition of flux, materials become more compact and grains grow bigger for the GLT-2L than the corresponding GLT samples. Electrical conductivity of a GLT-2L with x = 0.110 at 700 °C is 3 times larger than the measurements done by other research groups in the Gd{sub 2}Ti{sub 2}O{sub 7}. In order to demonstrate the successful substitution of the Li ion into the Gd site, a series of GT samples was prepared with a formula of Gd{sub 2?x}Ti{sub 2}O{sub 7?1.5x}. With the same amount of x, every GLT samples have a longer unit cell a-axis than that of the GT. The difference is caused by the substitution of the Li ion into the Gd site. Valence of the Ti atoms of the GLT-2L samples is slightly less than 4 studied by the XANES spectroscopy.

  16. Magnetic behavior of LaMn{sub 2}(Si{sub (1?x)}Ge{sub x}){sub 2} compounds characterized by magnetic hyperfine field measurements

    SciTech Connect (OSTI)

    Bosch-Santos, B., E-mail: brianna@usp.br; Carbonari, A. W.; Cabrera-Pasca, G. A.; Saxena, R. N. [Instituto de Pesquisas Energéticas e Nucleares, University of Săo Paulo, 05508-000 Săo Paulo (Brazil)

    2014-05-07T23:59:59.000Z

    The temperature dependence of the magnetic hyperfine field (B{sub hf}) at Mn atom sites was measured in LaMn{sub 2}(Si{sub (1?x)}Ge{sub x}){sub 2}, with 0???x???1, compounds with perturbed ??? angular correlation spectroscopy using {sup 111}In({sup 111}Cd) as probe nuclei in the temperature range from 20?K to 480?K. The results show a transition from antiferromagnetic to ferromagnetic ordering for all studied compounds when Ge gradually replaces Si and allowed an accurate determination of the Néel temperature (T{sub N}) for each compound. It was observed that T{sub N} decreases when Ge concentration increases. Conversely, the Curie temperature increases with increase of Ge concentration. This remarkable change in the behavior of the transition temperatures is discussed in terms of the Mn-Mn distance and ascribed to a change in the exchange constant J{sub ex}.

  17. Solar reduction of CO.sub.2

    DOE Patents [OSTI]

    Jensen, Reed J. (121 La Vista Dr., Los Alamos, NM 87544); Lyman, John L. (Los Alamos, NM); King, Joe D. (Los Alamos, NM); Guettler, Robert D. (Los Alamos, NM)

    2000-01-01T23:59:59.000Z

    The red shift of the absorption spectrum of CO.sub.2 with increasing temperature permits the use of sunlight to photolyze CO.sub.2 to CO. The process of the present invention includes: preheating CO.sub.2 to near 1800 K; exposing the preheated CO.sub.2 to sunlight, whereby CO, O.sub.2 and O are produced; and cooling the hot product mix by rapid admixture with room temperature CO.sub.2. The excess thermal energy may be used to produce electricity and to heat additional CO.sub.2 for subsequent process steps. The product CO may be used to generate H.sub.2 by the shift reaction or to synthesize methanol.

  18. A study of the volatile matter of coal as a function of the heating rate

    SciTech Connect (OSTI)

    Yanes, E.; Wilhite, D.; Riley, J.M. Jr. [Western Kentucky Univ., Bowling Green, KY (United States)] [and others

    1996-12-31T23:59:59.000Z

    A study of the volatile matter yields as a function of the heating rate was conducted. A suite of 21 coal and coke samples varying in rank from anthracitic to lignitic and heating rates from 10{degrees}C/min to about 450{degrees}C/min were used in the study. Heating rates up to 60{degrees}C per minute, which are typically used in ASTM Test Method 5142 (instrumental Proximate Analysis), were achieved in a macro thermogravimetric analysis (TGA) system. Heating rates of 50-200{degrees}C/min were obtained in a micro TGA system. All measurements were made in a nitrogen atmosphere. The results of the study illustrate the dependence of the volatile matter yield on the heating rate. For most coals and cokes the optimum heating rate for determining volatile matter values that agree with those obtained by ASTM Method D 3175 appears to be in the 100-150{degrees}C range.

  19. Magnetic properties and magnetocaloric effect in La{sub 0.7}Nd{sub 0.3}Fe{sub 13-x}Si{sub x} compounds

    SciTech Connect (OSTI)

    Mican, S. [Babes-Bolyai University, Faculty of Physics, RO-400084, Cluj-Napoca (Romania); Tetean, R., E-mail: romulus.tetean@phys.ubbcluj.ro [Babes-Bolyai University, Faculty of Physics, RO-400084, Cluj-Napoca (Romania)

    2012-03-15T23:59:59.000Z

    The structural, magnetic and magnetocaloric properties in the cubic NaZn{sub 13}-type La{sub 0.7}Nd{sub 0.3}Fe{sub 13-x}Si{sub x} compounds with x=1.2, 1.4, 1.6 and 1.8 are reported. All of the investigated samples are ferromagnetically ordered. The Fe saturation moment at 5 K is independent of Si concentration, having a value of 2.05{+-}0.09 {mu}{sub B}, which suggests a high degree of localization. The Curie temperatures increase almost linearly with the increase in silicon concentration. The large {Delta}S{sub M} values obtained for samples with low Si content are mainly due to the first-order character of the transition at T{sub C}. The field-induced transition above T{sub C} causes an asymmetric broadening of the {Delta}S{sub M} peak towards higher temperatures for higher applied fields. With increasing Si content, the first-order character of the transition at T{sub C} is diminished, leading to lower {Delta}S{sub M} values. The potential use of these materials in magnetic refrigeration is discussed. - Graphical abstract: Transition from a first-order to a second-order magnetic phase transition at T{sub C} on La{sub 0.7}Nd{sub 0.3}Fe{sub 13-x}Si{sub x}. Highlights: Black-Right-Pointing-Pointer Magnetic properties and magnetocaloric effect in La{sub 0.7}Nd{sub 0.3}Fe{sub 13-x}Si{sub x} compounds are reported. Black-Right-Pointing-Pointer Transition from a first-order to a second-order type magnetic phase transition at T{sub C} with increasing silicon content. Black-Right-Pointing-Pointer Itinerant electronic metamagnetic transition above the Curie temperature. Black-Right-Pointing-Pointer High values of the magnetic entropy changes in 2 T magnetic field.

  20. Electronic structure and magnetism of Mn{sub 12}O{sub 12} clusters

    SciTech Connect (OSTI)

    Pederson, M.R. [Complex Systems Theory Branch-6692, Naval Research Laboratory, Washington, D.C. 20375-5000 (United States)] [Complex Systems Theory Branch-6692, Naval Research Laboratory, Washington, D.C. 20375-5000 (United States); Khanna, S.N. [Department of Physics, Virginia Commonwealth University, Richmond, Virginia 23284-2000 (United States)] [Department of Physics, Virginia Commonwealth University, Richmond, Virginia 23284-2000 (United States)

    1999-01-01T23:59:59.000Z

    To address the ferrimagnetic state of the Mn{sub 12} acetate matrix [Mn{sub 12}O{sub 12}(CH{sub 3}COO){sub 16}(H{sub 2}O){sub 4}] we have performed all-electron gradient-corrected density-functional calculations on (MnO){sub n} with n=1, 2, 4, and 12. In contrast to bulk MnO which is antiferromagnetic, the small (MnO){sub n} (n=1, 2, and 4) clusters are ferromagnetic with Mn moments of 5.0{mu}{sub B} but the ground state of Mn{sub 12}O{sub 12} is ferrimagnetic with a total magnetic moment of 20.0{mu}{sub B} as observed experimentally. The inner Mn sites in Mn{sub 12}O{sub 12} are found to have localized moments of 4.1{mu}{sub B} which are antiferromagnetically coupled to two types of outer Mn with moments of 4.2{mu}{sub B}. The cluster is shown to be marked by ionic as well as covalent bonds between Mn d and O p electrons and a strong intracluster magnetic coupling. {copyright} {ital 1999} {ital The American Physical Society}

  1. Investigation on transition behavior and electrical properties of (K{sub 0.5}Na{sub 0.5}){sub 1-x}Li{sub x}Nb{sub 0.84}Ta{sub 0.1}Sb{sub 0.06}O{sub 3} around polymorphic phase transition region

    SciTech Connect (OSTI)

    Zhu, Chen; Wang, Wenchao; Shi, Honglin; Wang, Fangyu; Cao, Yongge [Department of Physics, Renmin University of China, Beijing 100872, P R China (China) [Department of Physics, Renmin University of China, Beijing 100872, P R China (China); Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002 (China); Huang, Jiquan; Wang, Chong [Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002 (China)] [Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002 (China); Tang, Fei; Yuan, Xuanyi, E-mail: yuanxuanyi@ruc.edu.cn [Department of Physics, Renmin University of China, Beijing 100872, P R China (China)] [Department of Physics, Renmin University of China, Beijing 100872, P R China (China); Liu, Yang [School of Chemistry and Environment Engineering, Shaoguan University, Shaoguan 512005 (China)] [School of Chemistry and Environment Engineering, Shaoguan University, Shaoguan 512005 (China)

    2014-01-15T23:59:59.000Z

    (K{sub 0.5}Na{sub 0.5}){sub 1-x}Li{sub x}Nb{sub 0.84}Ta{sub 0.1}Sb{sub 0.06}O{sub 3} (KNLNTS) lead free ceramics with different Li concentration were fabricated by conventional solid-state reaction method. By increasing Li ions in KNLNTS, the grains grow up and the crystal structure changes from orthorhombic to tetragonal. When 0.03 ? x ? 0.05, the ceramics structure lays in PPT region. Polarization versus electric field (P-E) hysteresis loops at room temperature show good ferroelectric properties and the remnant polarization decreases by increasing Li content while coercive electric keeps almost unchanged. In PPT region, taking x = 0.04 as an example, the sample shows excellent dielectric properties: the dielectric constant is 1159 and loss tangent is 0.04, while the piezoelectric constant d{sub 33} is 245 pC/N and kp is 0.44 at room temperature, it is promising for (K{sub 0.5}Na{sub 0.5}){sub 1-x}Li{sub x}Nb{sub 0.84}Ta{sub 0.1}Sb{sub 0.06}O{sub 3} with 4 at. % Li to substitute PZT.

  2. Hydrothermal synthesis, structure, and magnetic properties of Pu(SeO{sub 3}){sub 2}

    SciTech Connect (OSTI)

    Bray, Travis H. [Department of Chemistry and Biochemistry and Center for Actinide Science, Auburn University, Auburn, AL 36849 (United States); Skanthakumar, S.; Soderholm, L. [Chemistry Division, Argonne National Laboratory, Argonne, IL 60439 (United States); Sykora, Richard E. [Department of Chemistry, University of South Alabama, Mobile, AL 36688 (United States); Haire, Richard G. [Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Albrecht-Schmitt, Thomas E. [Department of Chemistry and Biochemistry and Center for Actinide Science, Auburn University, Auburn, AL 36849 (United States)], E-mail: albreth@auburn.edu

    2008-03-15T23:59:59.000Z

    The reaction between PuO{sub 2} and SeO{sub 2} under mild hydrothermal conditions results in the formation of Pu(SeO{sub 3}){sub 2} as brick-red prisms. This compound adopts the Ce(SeO{sub 3}){sub 2} structure type, and consists of one-dimensional chains of edge-sharing [PuO{sub 8}] distorted bicapped trigonal prisms linked by [SeO{sub 3}] units into a three-dimensional network. Crystallographic data: Pu(SeO{sub 3}){sub 2}, monoclinic, space group P2{sub 1}/n, a=6.960(1) A, b=10.547(2) A, c=7.245(1) A, {beta}=106.880(9){sup o}, V=508.98(17) A{sup 3}, Z=4 (T=193 K), R(F)=2.92% for 83 parameters with 1140 reflections with I>2{sigma}(I). Magnetic susceptibility data for Pu(SeO{sub 3}){sub 2} are linear from 35 to 320 K and yield an effective moment of 2.71(5) {mu}{sub B} and a Weiss constant of -500(5) K. - Graphical abstract: A depiction of the three-dimensional structure of Pu(SeO{sub 3}){sub 2} formed from the interconnection of one-dimensional chains of edge-sharing PuO{sub 8} dodecahedra by selenite anions.

  3. Adsorption sites in zeolites A and X probed by competitive adsorption of H{sub 2} with N{sub 2} or O{sub 2} : implications for N{sub 2}/O{sub 2} separation.

    SciTech Connect (OSTI)

    Eckert, J.

    1998-08-31T23:59:59.000Z

    We determine details of the adsorption of O{sub 2} or N{sub 2} in Na{sup +} and Li{sup +} exchanged zeolites by way of their effect on coadsorbed H{sub 2} molecules using inelastic neutron scattering (INS) techniques. Adsorption site occupancies are deduced with the aid of MC simulations. The expected stronger binding of N{sub 2} (compared with O{sub 2}) in LiX is evident in coadsorption spectra of N{sub 2} or O{sub 2} with H{sub 2}.

  4. Improvement of the physical properties of novel (1 ? y) Co{sub 0.8}Cu{sub 0.2}Fe{sub 2}O{sub 4} + (y) SrTiO{sub 3} nanocomposite

    SciTech Connect (OSTI)

    Ahmed, M.A., E-mail: moala47@hotmail.com [Materials Science Lab (1), Physics Department, Faculty of Science, Cairo University, Giza (Egypt); Mansour, S.F.; Abdo, M.A. [Physics Department, Faculty of Science, Zagazig University (Egypt)

    2013-05-15T23:59:59.000Z

    Graphical abstract: The ME coefficient as a function of magnetic field for the composites (1 ? y) Co{sub 0.8}Cu{sub 0.2}Fe{sub 2}O{sub 4} + (y) SrTiO{sub 3} (y = 40, 50, 60 and 80%). Highlights: ? T{sub C} and M{sub s} decrease with the increase of SrTiO{sub 3} concentration. ? The P–E hysteresis loops were observed for all compositions. ? The maximum ME coefficient was observed for the composite with 60% SrTiO{sub 3}. - Abstract: Magnetoelectric (ME) nanocomposites (1 ? y) Co{sub 0.8}Cu{sub 0.2}Fe{sub 2}O{sub 4} + (y) SrTiO{sub 3} (y = 40, 50, 60, 80 and 100%) were prepared by standard ceramic method. Phase formation was checked using X-ray diffraction analysis. Both saturation magnetization (M{sub s}) and Curie temperature (T{sub C}) decrease with increasing SrTiO{sub 3} content. Temperature dependence of the dielectric constant reveals two maxima, one about 550 K corresponds to non-stoichiometry and lattice distortions while the second around 900 K corresponds to the Curie temperature (T{sub C}). The large value of ME output is due to the strain induced by lattice distortion in the ferrite phase by Jahn–Teller ions like Cu. Hence, Jahn–Teller effect in the ferrite leads to polarization in the piezoelectric phase.

  5. Vortex line pinning in Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8} single crystals with columnar defects

    SciTech Connect (OSTI)

    van der Beek, C.J.; Vinokur, V.M.; Crabtree, G.W. [Argonne National Lab., IL (United States); Schmidt, B.; Konczykowski, M. [CEA-Ecole Polytechnique, 91 - Palaiseau (France). Lab. d`Etudes des Solides Irradies

    1994-05-01T23:59:59.000Z

    The ac transmittivity of heavy-ion irradiated Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8} single crystals shows a sharp cusp as function of the dc field orientation with respect to the columnar defects. This unambiguously demonstrates the connected nature of vortices in these samples. In contrast, the irreversibility line does not reveal a cusp.

  6. Controllable synthesis, magnetic and biocompatible properties of Fe{sub 3}O{sub 4} and {alpha}-Fe{sub 2}O{sub 3} nanocrystals

    SciTech Connect (OSTI)

    Zhou, Xi, E-mail: xizhou@xmu.edu.cn [Research Center of Biomedical Engineering, Department of Biomaterials, College of Materials, The Key Laboratory of Biomedical Engineering of Fujian Province, Xiamen University, Xiamen, Fujian 361005 (China)] [Research Center of Biomedical Engineering, Department of Biomaterials, College of Materials, The Key Laboratory of Biomedical Engineering of Fujian Province, Xiamen University, Xiamen, Fujian 361005 (China); Shi, Yanfeng; Ren, Lei [Research Center of Biomedical Engineering, Department of Biomaterials, College of Materials, The Key Laboratory of Biomedical Engineering of Fujian Province, Xiamen University, Xiamen, Fujian 361005 (China)] [Research Center of Biomedical Engineering, Department of Biomaterials, College of Materials, The Key Laboratory of Biomedical Engineering of Fujian Province, Xiamen University, Xiamen, Fujian 361005 (China); Bao, Shixiong [State Key Laboratory for Physical Chemistry of Solid Surfaces and Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, Fujian 361005 (China)] [State Key Laboratory for Physical Chemistry of Solid Surfaces and Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, Fujian 361005 (China); Han, Yu; Wu, Shichao; Zhang, Honggang; Zhong, Lubin [Research Center of Biomedical Engineering, Department of Biomaterials, College of Materials, The Key Laboratory of Biomedical Engineering of Fujian Province, Xiamen University, Xiamen, Fujian 361005 (China)] [Research Center of Biomedical Engineering, Department of Biomaterials, College of Materials, The Key Laboratory of Biomedical Engineering of Fujian Province, Xiamen University, Xiamen, Fujian 361005 (China); Zhang, Qiqing, E-mail: zhangqiq@xmu.edu.cn [Research Center of Biomedical Engineering, Department of Biomaterials, College of Materials, The Key Laboratory of Biomedical Engineering of Fujian Province, Xiamen University, Xiamen, Fujian 361005 (China)] [Research Center of Biomedical Engineering, Department of Biomaterials, College of Materials, The Key Laboratory of Biomedical Engineering of Fujian Province, Xiamen University, Xiamen, Fujian 361005 (China)

    2012-12-15T23:59:59.000Z

    Iron oxide nanocrystals (NCs) with a series of well-controlled morphologies (octahedron, rod, wire, cube and plate) and compositions (Fe{sub 3}O{sub 4} and {alpha}-Fe{sub 2}O{sub 3}) were synthesized via a facile hydrothermal process. The morphological and compositional control of various iron oxide NCs was based on the regulations of precursor thermolysis kinetics and surfactants. The obtained samples were characterized by XRD, SEM, TEM, SQUID and cytotoxicity test. These as-prepared iron oxide NCs showed excellent magnetic properties and good biocompatibility, paving the way for their high-efficiency bio-separation and bio-detection applications. - Graphical Abstract: Schematic illustration for the formation of iron oxide NCs (Fe{sub 3}O{sub 4} and {alpha}-Fe{sub 2}O{sub 3}) with different controlled morphologies and compositions. Highlights: Black-Right-Pointing-Pointer Iron oxide NCs with a series of well-controlled morphologies (octahedron, rod, wire, cube, and plate) and compositions (Fe{sub 3}O{sub 4} and {alpha}-Fe{sub 2}O{sub 3}) were synthesized via a facile hydrothermal method. Black-Right-Pointing-Pointer The mechanism of the morphological and compositional control process is directly related to precursor thermolysis kinetics and surfactants. Black-Right-Pointing-Pointer These iron oxide NCs exhibited excellent magnetic response and good biocompatibility, which should have great applications in the cell separation and biodetection.

  7. Interfacial mode coupling as the origin of the enhancement of T<sub>c> in FeSe films on SrTiO<sub>3sub>

    SciTech Connect (OSTI)

    Lee, J.J.; Schmitt, F.T.; Moore, R.G.; Johnston, S.; Cui, Y.-T.; Li, W.; Yi, M.; Liu, Z.K.; Hashimoto, M.; Zhang, Y.; Lu, D.H.; Devereaux, T.P.; Lee, D.-H.; Shen, Z.-X.

    2014-11-12T23:59:59.000Z

    Films of iron selenide (FeSe) one unit cell thick grown on strontium titanate (SrTiO<sub>3sub> or STO) substrates have recently shown superconducting energy gaps opening at temperatures close to the boiling point of liquid nitrogen (77 K), which is a record for the iron-based superconductors. The gap opening temperature usually sets the superconducting transition temperature T<sub>c>, as the gap signals the formation of Cooper pairs, the bound electron states responsible for superconductivity. To understand why Cooper pairs form at such high temperatures, we examine the role of the SrTiO<sub>3sub> substrate. Here we report high-resolution angle-resolved photoemission spectroscopy results that reveal an unexpected characteristic of the single-unit-cell FeSe/SrTiO<sub>3sub> system: shake-off bands suggesting the presence of bosonic modes, most probably oxygen optical phonons in SrTiO<sub>3sub>, which couple to the FeSe electrons with only a small momentum transfer. Such interfacial coupling assists superconductivity in most channels, including those mediated by spin fluctuations. Our calculations suggest that this coupling is responsible for raising the superconducting gap opening temperature in single-unit-cell FeSe/SrTiO<sub>3sub>.

  8. Dielectric, ferromagnetic and maganetoelectric properties of BaTiO{sub 3}–Ni{sub 0.7}Zn{sub 0.3}Fe{sub 2}O{sub 4} composite ceramics

    SciTech Connect (OSTI)

    Zhang, Rong-Fen [Department of Electronic Science, College of Science, Key Laboratory of Functional Composite Materials of Guizhou Province, Guizhou University, Guiyang, Guizhou 550025 (China); Deng, Chao-Yong, E-mail: cydeng@gzu.edu.cn [Department of Electronic Science, College of Science, Key Laboratory of Functional Composite Materials of Guizhou Province, Guizhou University, Guiyang, Guizhou 550025 (China); Ren, Li [Department of Electronic Science, College of Science, Key Laboratory of Functional Composite Materials of Guizhou Province, Guizhou University, Guiyang, Guizhou 550025 (China); Li, Zheng [Department of Materials Science and Engineering, State Key Laboratory of New Ceramics and Fine Processing, Tsinghua University, Beijing 100084 (China); Zhou, Jian-Ping [College of Physics and Information Technology, Shaanxi Normal University, Xi’an 710062 (China)

    2013-10-15T23:59:59.000Z

    Graphical abstract: - Highlights: • The lead-free ME ceramic composites BaTiO{sub 3}–Ni{sub 0.7}Zn{sub 0.3}Fe{sub 2}O{sub 4} were successfully synthesized. • The composites showed high dielectric constant and low dielectric loss. • The composite with 30% NiZn ferrite presented good soft magnetic properties and ME performance. - Abstract: Lead-free magnetoelectric composite ceramics (1 ? x)BaTiO{sub 3}–xNi{sub 0.7}Zn{sub 0.3}Fe{sub 2}O{sub 4} (x = 0.15, 0.3, 0.45) were successfully prepared by conventional oxide ceramic process. The tetragonal perovskite BaTiO{sub 3} and cubic spinel Ni{sub 0.7}Zn{sub 0.3}Fe{sub 2}O{sub 4} were confirmed by X-ray diffraction. The dielectric behaviors of all composite samples show a normal response to the increasing measurement frequency and Ni{sub 0.7}Zn{sub 0.3}Fe{sub 2}O{sub 4} ferrite content. Well defined ferromagnetic hysteresis loops and obvious magnetoelectric coupling effect are observed in the composite ceramics. The influence of applied dc bias magnetic field and Ni{sub 0.7}Zn{sub 0.3}Fe{sub 2}O{sub 4} ferrite content on the magnetoelectric coupling responding voltage is investigated. The strongest peak magnetoelectric coupling voltage coefficient is 124 ?V/cm Oe when x = 0.3, which corresponds to the maximum magnetoelectric coupling responding voltage of 200 ?V.

  9. Method for removing volatile components from a ceramic article, and related processes

    DOE Patents [OSTI]

    Klug, Frederic Joseph (Schenectady, NY); DeCarr, Sylvia Marie (Waterford, NY)

    2002-01-01T23:59:59.000Z

    A method of removing substantially all of the volatile component in a green, volatile-containing ceramic article is disclosed. The method comprises freezing the ceramic article; and then subjecting the frozen article to a vacuum for a sufficient time to freeze-dry the article. Frequently, the article is heated while being freeze-dried. Use of this method efficiently reduces the propensity for any warpage of the article. The article is often formed from a ceramic slurry in a gel-casting process. A method for fabricating a ceramic core used in investment casting is also described.

  10. The effect of chemical dispersants on the solution of volatile liquid hydrocarbons from spilled crude oil

    E-Print Network [OSTI]

    McDonald, Thomas Joseph

    1982-01-01T23:59:59.000Z

    THE EFFECT OF CHEMICAL DISPERSANTS ON THE SOLUTION OF VOLATILE LIQUID HYDROCARBONS FROM SPILLED CRUDE OIL A Thesis by THOMAS JOSEPH McDONALD Submitted to the Graduate College of Texas A&M University in partial fulfillment of the requirement... for the degree of MASTER OF SCIENCE August 1982 Major Subject: Oceanography THE EFFECT OF CHEMICAL DISPERSANTS ON THE SOLUTION OF VOLATILE LIQUID HYDROCARBONS FROM SPILLED CRUDE OIL A Thesis by THOMAS JOSEPH McDONALD Approved as to style and content by...

  11. Method For Removing Volatile Components From A Gel-Cast Ceramic Article

    DOE Patents [OSTI]

    Klug, Frederic Joseph (Schenectady, NY); DeCarr, Sylvia Marie (Schenectady, NY)

    2004-09-07T23:59:59.000Z

    A method of removing substantially all of the volatile component in a green, volatile-containing ceramic article is disclosed. The method comprises freezing the ceramic article; and then subjecting the frozen article to a vacuum for a sufficient time to freeze-dry the article. Frequently, the article is heated while being freeze-dried. Use of this method efficiently reduces the propensity for any warpage of the article. The article is often formed from a ceramic slurry in a gel-casting process. A method for fabricating a ceramic core used in investment casting is also described.

  12. The effect of chemical dispersants on the solution of volatile liquid hydrocarbons from spilled crude oil 

    E-Print Network [OSTI]

    McDonald, Thomas Joseph

    1982-01-01T23:59:59.000Z

    THE EFFECT OF CHEMICAL DISPERSANTS ON THE SOLUTION OF VOLATILE LIQUID HYDROCARBONS FROM SPILLED CRUDE OIL A Thesis by THOMAS JOSEPH McDONALD Submitted to the Graduate College of Texas A&M University in partial fulfillment of the requirement... for the degree of MASTER OF SCIENCE August 1982 Major Subject: Oceanography THE EFFECT OF CHEMICAL DISPERSANTS ON THE SOLUTION OF VOLATILE LIQUID HYDROCARBONS FROM SPILLED CRUDE OIL A Thesis by THOMAS JOSEPH McDONALD Approved as to style and content by...

  13. Gas-chromatographic identification of volatile products from thermal processing of Bitumen

    SciTech Connect (OSTI)

    Zenkevich, I.G.; Ventura, K. [Advanced Chemical Engineering Institute, Pardubice (Czechoslovakia)

    1992-03-10T23:59:59.000Z

    The variety of bitumen industrial brands is evident in the significant variation of composition and ratio of volatile thermal processing products, which makes their detailed characterization difficult. For that reason, in the authors` opinion a simple and easily reproducible method for gas chromatographic analysis and identification of these substances should be of greater interest than gathering more such results. In this report the authors discuss the selection of an optimal combination of group and individual gas chromatographic methods for identification of volatile thermal processing products in the presence of air, using the example of AP bitumen, the main brand used in Czechoslavakia for production of asphalt. 15 refs., 1 tab.

  14. An unexpected journey: experimental insights into magma and volatile transport beneath Erebus volcano, Antarctica

    E-Print Network [OSTI]

    Iacovino, Kayla

    2014-06-10T23:59:59.000Z

    fugacity of the volatile component and the concentration of that volatile dissolved in the melt. Because of the poor fit of our CO2 data to a power law regression, the pure-CO2 experiments of Lesne et al. (2011b) were used to create these isobars... /mantle boundary. Seismic and gravitational investigations on and around Ross Island suggest that this boundary is ?20 km deep (Cooper et al., 1994; Finotello et al., 2011; Newhall & Dzurisin, 1989). The evolution of the Erebus cone itself is inferred to have taken...

  15. Thermal engine driven heat pump for recovery of volatile organic compounds

    DOE Patents [OSTI]

    Drake, Richard L. (Schenectady, NY)

    1991-01-01T23:59:59.000Z

    The present invention relates to a method and apparatus for separating volatile organic compounds from a stream of process gas. An internal combustion engine drives a plurality of refrigeration systems, an electrical generator and an air compressor. The exhaust of the internal combustion engine drives an inert gas subsystem and a heater for the gas. A water jacket captures waste heat from the internal combustion engine and drives a second heater for the gas and possibly an additional refrigeration system for the supply of chilled water. The refrigeration systems mechanically driven by the internal combustion engine effect the precipitation of volatile organic compounds from the stream of gas.

  16. Luminescence properties of a blue-emitting phosphor: (Sr{sub 1?x}Eu{sub x})Si{sub 9}Al{sub 19}ON{sub 31} (0

    SciTech Connect (OSTI)

    Liu, Lihong [Structural and Functional Integration of Ceramics Group, The Division of Functional Materials and Nanodevices, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo, Zhejiang 315201 (China); Xie, Rong-Jun, E-mail: XIE.Rong-Jun@nims.go.jp [Sialon Group, Sialon Unit, National Institute for Materials Science, Namiki 1-1, Tsukuba, Ibaraki 305-0044 (Japan); Hirosaki, Naoto; Dierre, Benjamin [Sialon Group, Sialon Unit, National Institute for Materials Science, Namiki 1-1, Tsukuba, Ibaraki 305-0044 (Japan); Sekiguchi, Takashi [Advanced Electronic Materials Center, National Institute for Materials Science, Namiki 1-1, Tsukuba, Ibaraki 305-0044 (Japan)

    2013-11-15T23:59:59.000Z

    Blue-emitting Sr{sub 1?x}Eu{sub x}Si{sub 9}Al{sub 19}ON{sub 31} phosphors were synthesized at 1800 °C for 2 h under 1 MPa N{sub 2} by using the gas-pressure sintering method (GPS). The microstructure, photoluminescence (PL) properties of the prepared phosphors were investigated. Under the 290 nm excitation, broad PL emission bands with peak positions at 448–490 nm were detected. The concentration quenching was not observed owing to the large distance betweenEu{sup 2+} ions that made the nonradiative energy transfer between neighboring Eu{sup 2+} ions difficult. The blue phosphor generally showed a small thermal quenching at low Eu{sup 2+} concentrations. The absorption and external quantum efficiency of the synthesized Sr{sub 0.5}Eu{sub 0.5}Si{sub 9}Al{sub 19}ON{sub 31} were 85% and 62% upon the 365 nm excitation, respectively. The interesting PL results indicate that Sr{sub 1?x}Eu{sub x}Si{sub 9}Al{sub 19}ON{sub 31} has great potentials as a blue phosphor for white LEDs applications. - Graphical abstract: Sr{sub 0.7}Eu{sub 0.3}Si{sub 9}Al{sub 19}ON{sub 31} gives blue-emitting at 471 nm. Excitation spectrum is composed of five bands in the range of 250–450 nm, which are matching well with emission wavelength of UV LEDs. Display Omitted - Highlights: • Blue-emitting Sr{sub 1?x}Eu{sub x}Si{sub 9}Al{sub 19}ON{sub 31} phosphors were synthesized by gas-pressure sintering method. • The concentration quenching was not observed in this phosphor. • This blue phosphor generally showed a small thermal quenching at low Eu{sup 2+} concentrations. • The absorption and external quantum efficiency of the synthesized Sr{sub 0.5}Eu{sub 0.5}Si{sub 9}Al{sub 19}ON{sub 31} were 85% and 62% upon the 365 nm excitation.

  17. Drift velocity of electrons in quantum wells of selectively doped In{sub 0.5}Ga{sub 0.5}As/Al{sub x}In{sub 1-x}As and In{sub 0.2}Ga{sub 0.8}As/Al{sub x}Ga{sub 1-x}As heterostructures in high electric fields

    SciTech Connect (OSTI)

    Pozela, J., E-mail: pozela@pfi.lt; Pozela, K.; Raguotis, R.; Juciene, V. [Center for Physical Sciences and Technology, Semiconductor Physics Institute (Lithuania)

    2011-06-15T23:59:59.000Z

    The field dependence of drift velocity of electrons in quantum wells of selectively doped In{sub 0.5}Ga{sub 0.5}As/Al{sub x}In{sub 1-x}As and In{sub 0.2}Ga{sub 0.8}As/Al{sub x}Ga{sub 1-x}As heterostructures is calculated by the Monte Carlo method. The influence of varying the molar fraction of Al in the composition of the Al{sub x}Ga{sub 1-x}As and Al{sub x}In{sub 1-x}As barriers of the quantum well on the mobility and drift velocity of electrons in high electric fields is studied. It is shown that the electron mobility rises as the fraction x of Al in the barrier composition is decreased. The maximum mobility in the In{sub 0.5}Ga{sub 0.5}As/In{sub 0.8}Al{sub 0.2}As quantum wells exceeds the mobility in a bulk material by a factor of 3. An increase in fraction x of Al in the barrier leads to an increase in the threshold field E{sub th} of intervalley transfer (the Gunn effect). The threshold field is E{sub th} = 16 kV/cm in the In{sub 0.5}Ga{sub 0.5}As/Al{sub 0.5}In{sub 0.5}As heterostructures and E{sub th} = 10 kV/cm in the In{sub 0.2}Ga{sub 0.8}As/Al{sub 0.3}Ga{sub 0.7}As heterostructures. In the heterostructures with the lowest electron mobility, E{sub th} = 2-3 kV/cm, which is lower than E{sub th} = 4 kV/cm in bulk InGaAs.

  18. Crystal structure of the binary complex of cobalt and zinc chlorides with carbamide [Co(OCN{sub 2}H{sub 4}){sub 5}(H{sub 2}O)][ZnCl{sub 4}

    SciTech Connect (OSTI)

    Furmanova, N. G., E-mail: furm@ns.crys.ras.ru; Chernaya, T. S. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation); Resnyanskii, V. F., E-mail: kakin@inbox.ru; Sulaimankulov, K. S. [National Academy of Sciences of Kyrgyzstan, Institute of Chemistry and Chemical Technology (Kyrgyzstan)

    2010-03-15T23:59:59.000Z

    Mixed single crystals of [Co(OCN{sub 2}H{sub 4}){sub 5}(H{sub 2}O)][ZnCl{sub 4}] were grown by the isothermal evaporation of an aqueous solution. The crystal structure of this complex was established by X-ray diffraction (R = 0.052 based on 7003 reflections). The crystals consist of [Co(OCN{sub 2}H{sub 4}){sub 5}(H{sub 2}O)]{sup 2+} cations containing Co atoms in an octahedral coordination and [ZnCl{sub 4}]{sup 2-}] anions containing Zn atoms in a tetrahedral coordination. The carbamide molecules are involved in both intramolecular and interionic hydrogen bonds. The H{sub 2}O molecule forms hydrogen bonds with the anions.

  19. Temperature driven transition from giant to tunneling magneto-resistance in Fe{sub 3}O{sub 4}/Alq{sub 3}/Co spin Valve: Role of Verwey transition of Fe{sub 3}O{sub 4}

    SciTech Connect (OSTI)

    Dey, P., E-mail: pujaiitkgp2007@gmail.com; Rawat, R.; Potdar, S. R.; Choudhary, R. J.; Banerjee, A. [UGC-DAE Consortium for Scientific Research (CSR), University Campus, Khandwa Road, Indore 452 001 (India)

    2014-05-07T23:59:59.000Z

    We demonstrate interface energy level engineering, exploiting the modification in energy band structure across Verwey transition temperature (T{sub V}) of Fe{sub 3}O{sub 4}, in a Fe{sub 3}O{sub 4}(111)/Alq{sub 3}/Co spin-valve (SV). I-V characteristics exhibit a transition in conduction mode from carrier injection to tunneling across T{sub V} of Fe{sub 3}O{sub 4} electrode. Both giant magneto-resistance (GMR) and tunneling MR (TMR) have been observed in a single SV, below and above T{sub V}, respectively. We have achieved room-temperature SV operation in our device. We believe that the tuning of charge gap at Fermi level across T{sub V} resulting in a corresponding tuning of conduction mode and a unique cross over from GMR to TMR.

  20. Electron beam induced oxygen in YBa sub 2 Cu sub 3 O sub 7-x superconductors

    SciTech Connect (OSTI)

    Basu, S.N.; Roy, T.; Mitchell, T.E.; Nastasi, M.

    1989-01-01T23:59:59.000Z

    Thin foils of bulk YBa{sub 2}Cu{sub 3}O{sub 7-x} (YBCO) superconductors were subjected to electron irradiation in a Transmission Electron Microscope (TEM). The resulting disordering of the oxygen atoms and vacancies in the Cu-O planes was monitored by measuring the splitting of the (110) diffraction spots in the (001) diffraction pattern. Samples were irradiated at 83K with 100, 150, 200 and 300kV electrons. The 100kV electrons did not cause any disordering, even after prolonged irradiation. The results of the higher energy irradiations showed an excellent fit to a disordering model, indicating a lack of radiation assisted ordering at 83K. This was further confirmed by the insensitivity of the disordering to the dose rate of 300kV electrons at 83K. However, at 300K, an increase in the dose rate of 300kV electrons increased the disordering rate, indicating that radiation assisted reordering was occurring at that temperature. 7 refs., 4 figs.

  1. Microsoft Word - IGCA Inventory Sub Guide 031611 | Department...

    Office of Environmental Management (EM)

    Word - IGCA Inventory Sub Guide 031611 Microsoft Word - IGCA Inventory Sub Guide 031611 Microsoft Word - IGCA Inventory Sub Guide 031611 More Documents & Publications OFFICE OF...

  2. IGCA Inventory Sub Guide 040512 | Department of Energy

    Energy Savers [EERE]

    Inventory Sub Guide 040512 IGCA Inventory Sub Guide 040512 IGCAInventorySubGuide040512.pdf More Documents & Publications OFFICE OF PROCUREMENT & ASSISTANCE MANAGEMENT...

  3. K{sub 2}Fe{sub 2}B{sub 2}O{sub 7}: A transparent nonlinear optical crystal with frustrated magnetism

    SciTech Connect (OSTI)

    Wang Yonggang [Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); Graduate University of Chinese Academy of Sciences, Beijing 100049 (China); Li, R.K., E-mail: rkli@mail.ipc.ac.c [Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China)

    2010-06-15T23:59:59.000Z

    A new noncentrosymmetric ferroborate crystal, K{sub 2}Fe{sub 2}B{sub 2}O{sub 7}, has been grown from high temperature melt. Structure solution from single crystal X-ray diffraction shows that the title compound crystallizes in a trigonal space group P321 with cell dimensions of a=8.7475(12) A and c=8.5124(17) A. In the structure, FeO{sub 4} tetrahedron shares its three basal oxygen atoms with BO{sub 3} triangles forming a two-dimensional layer in the ab plane and the layers are connected by the apical Fe-O bonds along the c direction. The crystal is transparent in the visible and near infrared region from 500 to 2000 nm with three pronounced absorption bands ascribed to d-d transitions of tetrahedrally coordinated Fe{sup 3+} ions. Though, structurally analog to K{sub 2}Al{sub 2}B{sub 2}O{sub 7}, the further twisting of the BO{sub 3} groups between adjacent layers reduces its optical nonlinearity to a second-harmonic generation intensity of about 0.4 times that of KDP. Spin-glass behavior is observed at 20 K which is probably due to geometrically magnetic frustration of the triangular Fe net in the ab plane. - Graphical abstract: Single crystal of a new ferroborate K{sub 2}Fe{sub 2}B{sub 2}O{sub 7}, space group P321, a=8.7475(3) A, c=8.5124(3) A, was obtained and characterized. It exhibits considerable SHG efficiency and frustrated magnetism originated from the triangular Fe net in the ab plane.

  4. Cathode encapsulation of organic light emitting diodes by atomic layer deposited Al{sub 2}O{sub 3} films and Al{sub 2}O{sub 3}/a-SiN{sub x}:H stacks

    SciTech Connect (OSTI)

    Keuning, W.; Weijer, P. van de; Lifka, H.; Kessels, W. M. M.; Creatore, M. [Department of Applied Physics, Eindhoven University of Technology, P.O. Box 513, 5600 MB Eindhoven (Netherlands); Philips Research Laboratories, High Tech Campus 4, P.O. Box WAG12, 5656 AE Eindhoven (Netherlands); Department of Applied Physics, Eindhoven University of Technology, P.O. Box 513, 5600 MB Eindhoven (Netherlands)

    2012-01-15T23:59:59.000Z

    Al{sub 2}O{sub 3} thin films synthesized by plasma-enhanced atomic layer deposition (ALD) at room temperature (25 deg. C) have been tested as water vapor permeation barriers for organic light emitting diode devices. Silicon nitride films (a-SiN{sub x}:H) deposited by plasma-enhanced chemical vapor deposition served as reference and were used to develop Al{sub 2}O{sub 3}/a-SiN{sub x}:H stacks. On the basis of Ca test measurements, a very low intrinsic water vapor transmission rate of {<=} 2 x 10{sup -6} g m{sup -2} day{sup -1} and 4 x 10{sup -6} g m{sup -2} day{sup -1} (20 deg. C/50% relative humidity) were found for 20-40 nm Al{sub 2}O{sub 3} and 300 nm a-SiN{sub x}:H films, respectively. The cathode particle coverage was a factor of 4 better for the Al{sub 2}O{sub 3} films compared to the a-SiN{sub x}:H films and an average of 0.12 defects per cm{sup 2} was obtained for a stack consisting of three barrier layers (Al{sub 2}O{sub 3}/a-SiN{sub x}:H/Al{sub 2}O{sub 3}).

  5. Synthesis of Li{sub (x)}Na{sub (2-x)}Mn{sub 2}S{sub 3} and LiNaMnS{sub 2} through redox-induced ion exchange reactions

    SciTech Connect (OSTI)

    Luthy, Joshua A.; Goodman, Phillip L. [Department of Chemistry and Biochemistry, Texas State University-San Marcos, 601 University Drive, San Marcos, TX 78666 (United States); Martin, Benjamin R. [Department of Chemistry and Biochemistry, Texas State University-San Marcos, 601 University Drive, San Marcos, TX 78666 (United States)], E-mail: bmartin@txstate.edu

    2009-03-15T23:59:59.000Z

    Na{sub 2}Mn{sub 2}S{sub 3} was oxidatively deintercalated using iodine in acetonitrile to yield Na{sub 1.3}Mn{sub 2}S{sub 3}, with lattice constants nearly identical to that of the reactant. Lithium was then reductively intercalated into the oxidized product to yield Li{sub 0.7}Na{sub 1.3}Mn{sub 2}S{sub 3}. When heated, this metastable compound decomposed to form a new crystalline compound, LiNaMnS{sub 2}, along with MnS and residual Na{sub 2}Mn{sub 2}S{sub 3}. Single crystal X-ray diffraction structural analysis of LiNaMnS{sub 2} revealed that this compound crystallizes in P-3m1 with cell parameters a=4.0479(6) A, c=6.7759(14) A, V=96.15(3) A{sup 3} (Z=1, wR2=0.0367) in the NaLiCdS{sub 2} structure-type. - Graphical abstract: Structure of LiNaMnS{sub 2}. Li and Mn are statistically distributed in edge-shared tetrahedral environments linked into infinite planes. Sodium ions occupy interlayer sites.

  6. Reply to: "Recycled" volatiles in mantle derived diamonds--Evidence from nitrogen and noble gas isotopic data

    E-Print Network [OSTI]

    Cartigny, Pierre

    and Honda [R.K. Mohapatra, and M. Honda, "Recycled" volatiles in mantle derived diamonds--evidence from (2005) 559­572.]. We present here reasons why the alternative view of Mohapatra and Honda [R.K. Mohapatra and M. Honda, "Recycled" volatiles in mantle derived diamonds--evidence from nitrogen and noble

  7. Monitoring of volatile organic pollutants in groundwater by passive diffusive bags (PDBs) Catherine Berho, Anne Togola, Benjamin

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    on classical water samples. These results highlighted that PDBs allow the measurement of the BTEX and volatileMonitoring of volatile organic pollutants in groundwater by passive diffusive bags (PDBs) Catherine used for groundwater monitoring such as low-flow peristaltic pumps can sample water slowly from wells

  8. NOTE SUR LES EFFETS DE L'INFUSION PERMANENTE D'UN MLANGE D'ACIDES GRAS VOLATILS DANS LE

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    NOTE SUR LES EFFETS DE L'INFUSION PERMANENTE D'UN MÉLANGE D'ACIDES GRAS VOLATILS DANS LE RUMEN DU problčmes techniques : infusion permanente et prolongée, dans le rumen, de quantités d'acides gras volatils début de l'infusion, les veaux étaient âgés d'environ 4 mois et pesaient respectivement 95 et 80 kg

  9. Process for separation of CO/sub 2/ from CO/sub 2/-containing gases

    SciTech Connect (OSTI)

    Linde, G.

    1985-07-09T23:59:59.000Z

    For separating CO/sub 2/ from CO/sub 2/-containing gases, especially stack gases and/or blast furnace gases, dimethylformamide is employed as a physical scrubbing medium to ensure high CO/sub 2/ purity. After absorption of CO/sub 2/, the DMF is regenerated and returned into the scrubbing stage. Dimethylformamide is utilized as the scrubbing medium.

  10. Electronic and optical properties of the cubic spinel phase of c-Si{sub 3}N{sub 4}, c-Ge{sub 3}N{sub 4}, c-SiGe{sub 2}N{sub 4}, and c-GeSi{sub 2}N{sub 4}

    SciTech Connect (OSTI)

    Ching, W. Y.; Mo, Shang-Di; Ouyang, Lizhi

    2001-06-15T23:59:59.000Z

    The electronic and optical properties of the new cubic spinel nitrides c-Si{sub 3}N{sub 4}, c-Ge{sub 3}N{sub 4}, and that of the predicted double nitrides c-SiGe{sub 2}N{sub 4} and c-GeSi{sub 2}N{sub 4} are studied by a first-principles method. They are all semiconductors with band gaps between 1.85 and 3.45 eV and a bulk modulus between 258 and 280 GPa. From the total-energy calculations, it is shown that c-SiGe{sub 2}N{sub 4} should be a stable compound while c-GeSi{sub 2}N{sub 4} could be metastable. The compound c-SiGe{sub 2}N{sub 4} is of particular interest because of a favorable direct band gap of 1.85 eV and a conduction-band effective mass of 0.49. The crystal has a very strong covalent bonding character as revealed by the calculated Mulliken effective charge and bond order. The strong covalent bonding in c-SiGe{sub 2}N{sub 4} is attributed to the optimal arrangement of the cations. The smaller Si ion occupies the tetrahedrally coordinated (8a) site and the larger Ge ion occupies the octahedrally coordinated (16d) site.

  11. Formation of mixed oxide powders in flames: Part II. SiO sub 2 --GeO sub 2 and Al sub 2 O sub 3 --TiO sub 2

    SciTech Connect (OSTI)

    Hung, C.; Miquel, P.F.; Katz, J.L. (Department of Chemical Engineering, The Johns Hopkins University, Baltimore, Maryland 21218 (United States))

    1992-07-01T23:59:59.000Z

    SiO{sub 2}--GeO{sub 2} and Al{sub 2}O{sub 3}--TiO{sub 2} mixed oxide powders were synthesized using a counterflow diffusion flame burner. SiCl{sub 4}, GeCl{sub 4}, Al(CH{sub 3}){sub 3}, and TiCl{sub 4} were used as source materials for the formation of oxide particles in hydrogen-oxygen flames. {ital In} {ital situ} particle sizes were determined using dynamic light-scattering. Powders were collected using two different methods, a thermophoretic method (particles are collected onto carbon coated TEM grids) and an electrophoretic method (particles are collected onto stainless steel strips). Their size, morphology, and crystalline form were examined using a transmission electron microscope and an x-ray diffractometer. A photomultiplier at 90{degree} to the argon ion laser beam was used to measure the light-scattering intensity. The formation of the mixed oxides was investigated using Si to Ge and Al to Ti ratios of 3:5 and 1:1, respectively. Heterogeneous nucleation of the SiO{sub 2} on the surface of the GeO{sub 2} was observed. In Al{sub 2}O{sub 3}--TiO{sub 2} mixtures, both oxide particles form at the same temperature. X-ray diffraction analysis of particles sampled at temperatures higher than 1553 K showed the presence of rutile, {gamma}--Al{sub 2}O{sub 3}, and aluminum titanate. Although the particle formation processes for SiO{sub 2}--GeO{sub 2} is very different from that for Al{sub 2}O{sub 3}--TiO{sub 2}, both mixed oxides result in very uniform mixtures.

  12. Photocatalytic oxidation of NO{sub x} using TiO{sub 2}/activated carbon

    SciTech Connect (OSTI)

    Wang, S.; Chen, D.H.; Li, K.Y. [Lamar Univ., Beaumont, TX (United States)] [and others

    1995-12-31T23:59:59.000Z

    This paper summarizes experimental results for a method of nitrogen oxides (NO{sub x}) emission control. NO{sub x} was oxidized photocatalytically to nitric acid (HNO{sub 3}) using different titanium dioxide (TiO{sub 2}) catalysts. The addition of ferric oxide improved the performance of the TiO{sub 2}. Of four adsorbents tested, activated carbon performed best in suppressing NO{sub 2} concentration. Optimum catalyst compositions were determined. Initial results indicated that photocatalytic oxidation of NO{sub x} offers several advantages over other emission control methods.

  13. Synthesis and crystal structure of a new open-framework iron phosphate (NH{sub 4}){sub 4}Fe{sub 3}(OH){sub 2}F{sub 2}[H{sub 3}(PO{sub 4}){sub 4}]: Novel linear trimer of corner-sharing Fe(III) octahedra

    SciTech Connect (OSTI)

    Mi, Jin-Xiao, E-mail: jxmi@xmu.edu.c [Department of Materials Science and Engineering, College of Materials, Xiamen University, Xiamen 361005 (China); Wang, Cheng-Xin [Department of Materials Science and Engineering, College of Materials, Xiamen University, Xiamen 361005 (China); Chen, Ning [Canadian Light Source, University of Saskatchewan, Saskatoon, SK, Canada S7N 0X4 (Canada); Department of Geological Sciences, University of Saskatchewan, Saskatoon, SK, Canada S7N 5E2 (Canada); Li, Rong [Department of Materials Science and Engineering, College of Materials, Xiamen University, Xiamen 361005 (China); Department of Geological Sciences, University of Saskatchewan, Saskatoon, SK, Canada S7N 5E2 (Canada); Pan, Yuanming [Department of Geological Sciences, University of Saskatchewan, Saskatoon, SK, Canada S7N 5E2 (Canada)

    2010-12-15T23:59:59.000Z

    A new iron phosphate (NH{sub 4}){sub 4}Fe{sub 3}(OH){sub 2}F{sub 2}[H{sub 3}(PO{sub 4}){sub 4}] has been synthesized hydrothermally at HF concentrations from 0.5 to 1.2 mL. Single-crystal X-ray diffraction analysis reveals its three-dimensional open-framework structure (monoclinic, space group P2{sub 1}/n (No. 14), a=6.2614(13) A, b=9.844(2) A, c=14.271(3) A, {beta}=92.11(1){sup o}, V=879.0(3) A{sup 3}). This structure is built from isolated linear trimers of corner-sharing Fe(III) octahedra, which are linked by (PO{sub 4}) groups to form ten-membered-ring channels along [1 0 0]. This isolated, linear trimer of corner-sharing Fe(III) octahedra, [(FeO{sub 4}){sub 3}(OH){sub 2}F{sub 2}], is new and adds to the diverse linkages of Fe polyhedra as secondary building units in iron phosphates. The trivalent iron at octahedral sites for the title compound has been confirmed by synchrotron Fe K-edge XANES spectra and magnetic measurements. Magnetic measurements also show that this compound exhibit a strong antiferromagnetic exchange below T{sub N}=17 K, consistent with superexchange interactions expected for the linear trimer of ferric octahedra with the Fe-F-Fe angle of 132.5{sup o}. -- Graphical abstract: The three-dimensional open-framework structure of (NH{sub 4}){sub 4}Fe{sub 3}(OH){sub 2}F{sub 2}[H{sub 3}(PO{sub 4}){sub 4}] is built from a novel isolated, linear (FeO{sub 4}){sub 3}(OH){sub 2}F{sub 2} trimer of corner-sharing Fe(III) octahedra linked by PO{sub 4} tetrahedra. Display Omitted

  14. Nanocrystalline Cs{sub x}WO{sub 3} particles: Effects of N{sub 2} annealing on microstructure and near-infrared shielding characteristics

    SciTech Connect (OSTI)

    Liu, Jing-Xiao, E-mail: drliu-shi@dlpu.edu.cn [School of Textile and Material Engineering, Dalian Polytechnic University, Dalian 116034 (China); Institute of Multidisciplinary Research for Advanced Material, Tohoku University, Sendai, 980-8577,Japan (Japan); Shi, Fei; Dong, Xiao-Li; Xu, Qiang [School of Textile and Material Engineering, Dalian Polytechnic University, Dalian 116034 (China); Yin, Shu; Sato, Tsugio [Institute of Multidisciplinary Research for Advanced Material, Tohoku University, Sendai, 980-8577,Japan (Japan)

    2013-10-15T23:59:59.000Z

    In order to further improve the near-infrared shielding properties of cesium tungsten bronze (Cs{sub x}WO{sub 3}) for solar filter applications, Cs{sub x}WO{sub 3} particles were prepared by solvothermal reaction method and the effects of nitrogen annealing on the microstructure and near-infrared shielding properties of Cs{sub x}WO{sub 3} were investigated. The obtained Cs{sub x}WO{sub 3} samples were characterized by X-ray diffraction, scanning electron microscopy, transmission electron microscopy, X-ray photoelectron spectroscopy and spectrophotometer. The results indicate that nanosheet-like Cs{sub x}WO{sub 3} particles with hexagonal structure began to transform into nanorods after annealed at temperature higher than 600 °C. The near-infrared shielding properties of Cs{sub x}WO{sub 3} particles could be further improved by N{sub 2} annealing at 500–700 °C. Particularly, the 500 °C-annealed Cs{sub x}WO{sub 3} samples in the N{sub 2} atmosphere showed best near-infrared shielding properties. It was suggested that the excellent near-infrared shielding ability of the 500 °C-annealed Cs{sub x}WO{sub 3} samples is correlated with its minimum O/W atomic ratio and most oxygen vacancies. Highlights: • N{sub 2} annealing could further improve the near-infrared (NIR) shielding of Cs{sub x}WO{sub 3}. • Effects of N{sub 2} annealing on microstructure and NIR shielding of Cs{sub x}WO{sub 3} were studied. • The 500 °C-N{sub 2}-annealed Cs{sub x}WO{sub 3} exhibited minimum O/W ratio and most oxygen vacancies. • The 500 °C-N{sub 2}-annealed Cs{sub x}WO{sub 3} particles exhibited best NIR shielding properties.

  15. Comparative study of water reactivity with Mo{sub 2}O{sub y}{sup ?} and W{sub 2}O{sub y}{sup ?} clusters: A combined experimental and theoretical investigation

    SciTech Connect (OSTI)

    Ray, Manisha; Waller, Sarah E.; Saha, Arjun; Raghavachari, Krishnan; Jarrold, Caroline Chick, E-mail: cjarrold@indiana.edu [Department of Chemistry, Indiana University, Bloomington, Indiana 47405 (United States)

    2014-09-14T23:59:59.000Z

    A computational investigation of the Mo{sub 2}O{sub y}{sup ?} + H{sub 2}O (y = 4, 5) reactions as well as a photoelectron spectroscopic probe of the deuterated Mo{sub 2}O{sub 6}D{sub 2}{sup ?} product have been carried out to understand a puzzling question from a previous study: Why is the rate constant determined for the Mo{sub 2}O{sub 5}{sup ?} + H{sub 2}O/D{sub 2}O reaction, the terminal reaction in the sequential oxidation of Mo{sub 2}O{sub y}{sup ?} by water, higher than the W{sub 2}O{sub 5}{sup ?} + H{sub 2}O/D{sub 2}O reaction? This disparity was intriguing because W{sub 3}O{sub y}{sup ?} clusters were found to be more reactive toward water than their Mo{sub 3}O{sub y}{sup ?} analogs. A comparison of molecular structures reveals that the lowest energy structure of Mo{sub 2}O{sub 5}{sup ?} provides a less hindered water addition site than the W{sub 2}O{sub 5}{sup ?} ground state structure. Several modes of water addition to the most stable molecular and electronic structures of Mo{sub 2}O{sub 4}{sup ?} and Mo{sub 2}O{sub 5}{sup ?} were explored computationally. The various modes are discussed and compared with previous computational studies on W{sub 2}O{sub y}{sup ?} + H{sub 2}O reactions. Calculated free energy reaction profiles show lower barriers for the initial Mo{sub 2}O{sub y}{sup ?} + H{sub 2}O addition, consistent with the higher observed rate constant. The terminal Mo{sub 2}O{sub y}{sup ?} sequential oxidation product predicted computationally was verified by the anion photoelectron spectrum of Mo{sub 2}O{sub 6}D{sub 2}{sup ?}. Based on the computational results, this anion is a trapped dihydroxide intermediate in the Mo{sub 2}O{sub 5}{sup ?} + H{sub 2}O/D{sub 2}O ? Mo{sub 2}O{sub 6}{sup ?} + H{sub 2}/D{sub 2} reaction.

  16. Activated Al/Al{sub 2}O{sub 3} for transformation of chlorinated hydrocarbons

    SciTech Connect (OSTI)

    Lien, H.L.; Zhang, W.X.

    1999-07-01T23:59:59.000Z

    A method for the preparation of activated Al/Al{sub 2}O{sub 3} mixture has been developed in the laboratory. Al and Al{sub 2}O{sub 3} are infused and activated within an alkaline solution. Optimal Al to Al{sub 2}O{sub 3} ratio is in the range of 0.1 to 1. Batch experiments have demonstrated that the activated Al/Al{sub 2}O{sub 3} mixture can rapidly dechlorinate tetrachloroethylene (PCE), carbon tetrachloride (CT) and hexachlorobenzene (HCB). Due to the high reactivity, light density and low cost, the activated Al/Al{sub 2}O{sub 3} may be used as a remediation agent in ex-situ treatment of industrial effluent, in-situ treatment wall, and for direct injection into ground water.

  17. Vapor-liquid equilibrium of the Mg(NO/sub 3/)/sub 2/-HNO/sub 3/-H/sub 2/O system

    SciTech Connect (OSTI)

    Thompson, B.E.; Derby, J.J.; Stalzer, E.H.

    1983-06-01T23:59:59.000Z

    The vapor-liquid equilibrium of the Mg(NO/sub 3/)/sub 2/-HNO/sub 3/-H/sub 2/O system in concentrations of 0 to 70 wt % Mg(NO/sub 3/)/sub 2/ and 0 to 75 wt % HNO/sub 3/ at atmospheric pressure was correlated by two approaches. One was based on a dissociation equilibrium expression in which the activities of the reacting species (HNO/sub 3/, NO/sub 3//sup -/, and H/sup +/) were approximated with mole fractions. The activity coefficients of the undissociated HNO/sub 3/ and H/sub 2/O were correlated as functions of the concentrations of magnesium nitrate and nitric acid by second-order polynomials. The average absolute difference between predicted and experimental values was 8% for the mole fraction of acid in the vapor and 8/sup 0/K for the bubble-point temperature. The second approach was to correlate the mean ionic rational activity coefficient of water with a form of the excess Gibbs energy composed of two terms. One term, a function of the ionic strength, accounts for the coulombic (ionic) interactions; the other term accounts for the non-coulombic (molecular) interactions. The average absolute difference between predicted and experimental values was 9% for the mole fraction of acid in the vapor, and 10/sup 0/K for the bubble-point temperature.

  18. Sandia Energy - SubTER

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOnItemResearch > TheNuclear PressLaboratorySoftware Home Climate &SubTER Home

  19. Comparison of the crystal and electronic structures of three 2:1 salts of the organic donor molecule BEDT-TTF with pentafluorothiomethylsulfonate anions SF{sub 5}CH{sub 2}SO{sub 3}{sup {minus}}, SF{sub 5}CHFSO{sub 3}{sup {minus}}, and SF{sub 5}CF{sub 2}SO{sub 3}{sup {minus}}

    SciTech Connect (OSTI)

    Ward, B.H.; Schlueter, J.A.; Geiser, U. [and others] [and others

    2000-02-01T23:59:59.000Z

    Salts of the donor molecule, bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF or ET), with pentafluorothiomethylsulfonate (SF{sub 5}CX{sub 2}SO{sub 3}{sup {minus}}, X = H or F) anions have been prepared. Three phases, {beta}{double_prime}-(ET){sub 2}SF{sub 5}CH{sub 2}SO{sub 3}{beta}{prime}-(ET){sub 2}SF{sub 5}CF{sub 2}SO{sub 3} and {beta}{double_prime}-(ET){sub 2}SF{sub 5}CHFSO{sub 3} (A,B, and C respectively) were obtained by electrocrystallization with the corresponding LiSF{sub 5}CX{sub 2}SO{sub 3} electrolytes. The structures of these salts were determined by single-crystal X-ray diffraction, and their physical properties were examined by electrical resistivity measurements as well as by ESR and Raman spectroscopy. The A,C and B salts are considerably different in their crystal structures, physical properties, and electronic structures despite the similarity in the structures of SF{sub 5}CX{sub 2}SO{sub 3}{sup {minus}}(X = H,F) anions. The A salt has two kinds of ET donor molecules with considerably different charge densities. The electronic structure of C has both one-dimensional (1D) and two-dimensional (2D) Fermi surfaces which are similar to those found in the organic superconductor A. The ESR data for the B salt indicate that it opens a spin gap below 45 K. The differences in the physical properties of the three salts were analyzed by calculating the HOMO-HOMO interaction energies between nearest-neighbor ET molecules in their donor molecule layers.

  20. Gamma ray shielding and structural properties of Bi{sub 2}O{sub 3}?PbO?B{sub 2}O{sub 3}?V{sub 2}O{sub 5} glass system

    SciTech Connect (OSTI)

    Kaur, Kulwinder, E-mail: kanwarjitsingh@yahoo.com; Singh, K. J., E-mail: kanwarjitsingh@yahoo.com; Anand, Vikas, E-mail: kanwarjitsingh@yahoo.com [Department of Physics, Guru Nanak Dev University, Amritsar 143005 (India)

    2014-04-24T23:59:59.000Z

    The present work has been undertaken to evaluate the applicability of Bi{sub 2}O{sub 3}?PbO?B{sub 2}O{sub 3}?V{sub 2}O{sub 5} glass system as gamma ray shielding material. Gamma ray mass attenuation coefficient has been determined theoretically using WinXcom computer software developed by National Institute of Standards and Technology. A meaningful comparison of their radiation shielding properties has been made in terms of their half value layer parameter with standard radiation shielding concrete 'barite'. Structural properties of the prepared glass system have been investigated in terms of XRD and FTIR techniques in order to check the possibility of their commercial utility as alternate to conventional concrete for gamma ray shielding applications.

  1. Charge control of antiferromagnetism at PbZr{sub 0.52}Ti{sub 0.48}O{sub 3}/La{sub 0.67}Sr{sub 0.33}MnO{sub 3} interface

    SciTech Connect (OSTI)

    Ma, X.; Zhai, H.; Fang, F.; Lüpke, G., E-mail: gxluep@wm.edu [Department of Applied Science, College of William and Mary, 251 Jamestown Road, Williamsburg, Virginia 23187 (United States); Kumar, A. [Department of Physics and Institute for Functional Nanomaterials, University of Puerto Rico, San Juan, Puerto Rico 00931-3343 (United States); CSIR-National Physical Laboratory, New Delhi 110012 (India); Dussan, S.; Katiyar, R. S. [Department of Physics and Institute for Functional Nanomaterials, University of Puerto Rico, San Juan, Puerto Rico 00931-3343 (United States); Zhao, H. B. [Department of Optical Science and Engineering, Fudan University, 220 Handan Road, Shanghai 200433 (China); Scott, J. F. [Department of Physics and Institute for Functional Nanomaterials, University of Puerto Rico, San Juan, Puerto Rico 00931-3343 (United States); Department of Physics, Cavendish Laboratory, University of Cambridge, Cambridge CB3 OHE (United Kingdom)

    2014-03-31T23:59:59.000Z

    The interfacial spin state of the multiferroic heterostructure PbZr{sub 0.52}Ti{sub 0.48}O{sub 3}/La{sub 0.67}Sr{sub 0.33}MnO{sub 3} and its dependence on ferroelectric polarization is investigated with magnetic second-harmonic generation at 78?K. The spin alignment of Mn ions in the first unit cell layer at the heterointerface can be tuned from ferromagnetic to antiferromagnetic exchange coupled, while the bulk magnetization remains unchanged. Multiple domains of both phases coexist as the ferroelectric polarization is switched. The results will help promote the development of new interface-based functionalities and device concepts.

  2. Transition threshold in Ge{sub x}Sb{sub 10}Se{sub 90?x} glasses

    SciTech Connect (OSTI)

    Wei, Wen-Hou [Department of Applied Physics, Chongqing University, Chongqing 401331 (China); Centre for Ultrahigh Bandwidth Devices for Optical Systems (CUDOS), Laser Physics Centre, Research School of Physics and Engineering, Australian National University, Canberra ACT 0200 (Australia); Fang, Liang, E-mail: lfang@cqu.edu.cn [Department of Applied Physics, Chongqing University, Chongqing 401331 (China); Shen, Xiang [Laboratory of Infrared Material and Devices, Advanced Technology Research Institute, Ningbo University, Ningbo 315211 (China); Wang, Rong-Ping [Centre for Ultrahigh Bandwidth Devices for Optical Systems (CUDOS), Laser Physics Centre, Research School of Physics and Engineering, Australian National University, Canberra ACT 0200 (Australia)

    2014-03-21T23:59:59.000Z

    Ge{sub x}Sb{sub 10}Se{sub 90?x} glasses with Ge content from 7.5 to 32.5?at.?% have been prepared by melt-quench technique, and the physical parameters including glass transition temperature (T{sub g}), density (?), compactness (C), shear elastic moduli (C{sub s}), compression elastic moduli (C{sub c}), refractive index (n), and optical bandgap (E{sub g}) have been investigated. While all these physical parameters show threshold behavior in the glass with a chemically stoichiometric composition. Raman spectra analysis also indicates that, with increasing Ge content, Se-chains or rings gradually disappear until all Se-atoms are consumed in the glass with a chemically stoichiometric composition. With further increasing Ge content, homopolar Ge-Ge and Sb-Sb bonds are formed and the chemical order in the glasses is violated. The threshold behavior of the physical properties in the Ge{sub x}Sb{sub 10}Se{sub 90?x} glasses can be traced to demixing of networks above the chemically stoichiometric composition.

  3. Ternary lithium stannides Li{sub x}T{sub 3}Sn{sub 7-x} (T=Rh, Ir)

    SciTech Connect (OSTI)

    Sreeraj, Puravankara [Institut fuer Anorganische und Analytische Chemie, NRW Graduate School of Chemistry, and Sonderforschungsbereich 458, Universitaet Muenster, Corrensstrasse 30, 48149 Muenster (Germany); Kurowski, Daniel [Institut fuer Anorganische und Analytische Chemie, NRW Graduate School of Chemistry, and Sonderforschungsbereich 458, Universitaet Muenster, Corrensstrasse 30, 48149 Muenster (Germany); Hoffmann, Rolf-Dieter [Institut fuer Anorganische und Analytische Chemie, NRW Graduate School of Chemistry, and Sonderforschungsbereich 458, Universitaet Muenster, Corrensstrasse 30, 48149 Muenster (Germany); Wu Zhiyun [Institut fuer Anorganische und Analytische Chemie, NRW Graduate School of Chemistry, and Sonderforschungsbereich 458, Universitaet Muenster, Corrensstrasse 30, 48149 Muenster (Germany); Poettgen, Rainer [Institut fuer Anorganische und Analytische Chemie, NRW Graduate School of Chemistry, and Sonderforschungsbereich 458, Universitaet Muenster, Corrensstrasse 30, 48149 Muenster (Germany)]. E-mail: pottgen@uni-muenster.de

    2005-11-15T23:59:59.000Z

    The ternary stannides Li{sub x}Rh{sub 3}Sn{sub 7-x} (x=0.45, 0.64, 0.80) and Li{sub x}Ir{sub 3}Sn{sub 7-x} (x=0.62 and 0.66) were synthesized from the elements in sealed tantalum tubes in a water-cooled sample chamber of an induction furnace. The samples were characterized by X-ray diffraction on powders and single crystals. The stannides adopt the cubic Ir{sub 3}Ge{sub 7}-type structure (space group Im3-bar m, Z=4). In this structure type the tin atoms occupy the Wyckoff positions 12d and 16f and form two interpenetrating frameworks consisting of cubes and square antiprisms. The rhodium and iridium atoms center the square antiprisms and are arranged in pairs. With increasing lithium substitution the lattice parameter of Ir{sub 3}Sn{sub 7} (936.7) decreases via 932.2pm (x=0.62) to 931.2pm (x=0.66), while the Ir-Ir distance remains almost the same (290pm). A similar trend is observed for the rhodium compounds. The lithium atoms substitute Sn on both framework sites. However, the 16f site shows a substantially larger preference for Li occupation. This is in contrast to the isotypic magnesium based compounds.

  4. Investigation of site preference of Zn doped Ba{sub 3}Co{sub 2?x}Zn{sub x}Fe{sub 24}O{sub 41} by Mössbauer spectroscopy

    SciTech Connect (OSTI)

    Lim, Jung Tae; Kim, Chul Sung, E-mail: cskim@kookmin.ac.kr [Department of Physics, Kookmin University, Seoul 136-702 (Korea, Republic of)

    2014-05-07T23:59:59.000Z

    The polycrystalline Ba{sub 3}Co{sub 2?x}Zn{sub x}Fe{sub 24}O{sub 41} (x?=?0.0, 0.5, 1.0) samples were prepared by using solid-state-reaction method. The crystal structures and magnetic properties of samples were investigated with x-ray diffractometer, vibrating sample magnetometer, and Mössbauer spectroscopy. The crystal structure of Ba{sub 3}Co{sub 2?x}Zn{sub x}Fe{sub 24}O{sub 41} (x?=?0.0, 0.5, 1.0) samples was determined to be a hexagonal structure with P6{sub 3}/mmc space group at 295 K, and the saturation magnetization (M{sub s}) of Ba{sub 3}Co{sub 2?x}Zn{sub x}Fe{sub 24}O{sub 41} (x?=?0.0, 0.5, 1.0) samples were found to be M{sub s} =?50.9, 53.1, 55.0 emu/g, respectively. From the temperature dependence of magnetization curves under 100 Oe between 4.2 and 740?K, we were able to observe the spin transition, and both spin transition temperature (T{sub s}) and Curie temperature (T{sub C}) decrease with increasing Zn concentration. Mössbauer spectra of all samples were obtained and analyzed at various temperatures ranging from 4.2 to 295 K. With ten-sextets for Fe sites corresponding to the Z-type hexagonal crystallographic sites, all spectra below T{sub C} were fitted by least-square method. In addition, from the site occupation numbers of Fe, calculated from the relative areas fitted to the Mössbauer spectra, we find that Zn ions preferentially occupy the tetrahedral sublattices of down sites.

  5. SWIFT GRB GRB071010B: OUTLIER OF THE E {sup src} {sub peak} - E {sub gamma} AND E {sub iso} - E {sup src} {sub peak} - t {sup src} {sub jet} CORRELATIONS

    SciTech Connect (OSTI)

    Urata, Yuji; Lee, Induk; Ip, Wing Huen [Institute of Astronomy, National Central University, Chung-Li 32054, Taiwan (China); Huang, Kuiyun [Academia Sinica Institute of Astronomy and Astrophysics, Taipei 106, Taiwan (China); Im, Myungshin [Center for the Exploration of the Origin of the Universe, Department of Physics and Astronomy, FPRD, Seoul National University, Shillim-dong, San 56-1, Kwanak-gu, Seoul (Korea, Republic of); Deng Jinsong; Liping Xin; Qiu Yulei; Wei Jianyan; Zheng Weikang [National Astronomical Observatories, Chinese Academy of Sciences, Beijing 100012 (China); Krimm, Hans [NASA Goddard Space Flight Center, Greenbelt, MD 20771 (United States); Ohno, Masanori [Institute of Space and Astronautical Science, Japan Aerospace Exploration Agency, 3-1-1 Yoshinodai, Sagamihara, Kanagawa 229-8510 (Japan); Sugita, Satoshi [Institute of Physical and Chemical Research (RIKEN), 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Tashiro, Makoto [Department of Physics, Saitama University, Shimo-Okubo, Saitama, 338-8570 (Japan); Yamaoka, Kazutaka, E-mail: urata@astro.ncu.edu.t [Department of Physics and Mathematics, Aoyama Gakuin University, 5-10-1, Fuchinobe, Sayamihara 229-8558 (Japan)

    2009-11-20T23:59:59.000Z

    We present multi-band results for GRB071010B based on Swift, Suzaku, and ground-based optical observations. This burst is an ideal target to evaluate the robustness of the E{sup src}{sub peak} - E{sub iso} and E{sup src}{sub peak} - E {sub gamma} relations, whose studies have been in stagnation due to the lack of the combined estimation of E{sup src} {sub peak} and long-term optical monitoring. The joint prompt spectral fitting using Swift/Burst Alert Telescope and Suzaku/Wide-band All-sky Monitor data yielded the spectral peak energy as E {sup src} {sub peak} of 86.5{sup +6.4} {sub -6.3} keV and E {sub iso} of 2.25{sup +0.19} {sub -0.16} x 10{sup 52} erg with z = 0.947. The optical afterglow light curve is well fitted by a simple power law with temporal index alpha = -0.60 +- 0.02. The lower limit of temporal break in the optical light curve is 9.8 days. Our multi-wavelength analysis reveals that GRB071010B follows E{sup src}{sub peak} - E{sub iso} but violates the E{sup src}{sub peak} - E{sub gamma} and E{sub iso} - E {sup src}{sub peak} - t {sup src}{sub jet} at more than the 3sigma level.

  6. Effects of K doping on structural and superconducting properties of Bi{sub 1.5}Pb{sub 0.5}Sr{sub 1.8}CaCu{sub 2}O{sub 8+?} compounds

    SciTech Connect (OSTI)

    Belala, K; Mosbah, M. F. [Material Sciences and Applications Research Unit, Physics Department, Constantine 1 University, B.P. 325 Route d'Ain El Bey, 25017 Constantine (Algeria)

    2013-12-16T23:59:59.000Z

    Two kinds of potassium doped Bi(Pb)2212 samples are used to investigate the effect of doping the Bi(Pb)2212 ((Bi,Pb){sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8}) phase by potassium (K): In the first one K is substituted on the Sr site; In the second one K is added. Using the solid state method reaction samples of Bi{sub 1.5}Pb{sub 0.5}(Sr{sub 1.8?x}K{sub x})CaCu{sub 2}O{sub 8+d} and Bi{sub 1.5}Pb{sub 0.5}Sr{sub 1.8}CaCu{sub 2}O{sub 8+d}K{sub x} (0 ? x? 0.05) have been prepared from powders of carbonates and primary oxides having purity over 99%. The samples have been characterized by X ray diffraction (XRD), scanning electron microscopy (SEM) and resistivity versus temperature measurements. Results show how the kind and the rate of doping by potassium affects the structural and transport properties of Bi(Pb)2212 phase.

  7. CFD modeling of entrained-flow coal gasifiers with improved physical and chemical sub-models

    SciTech Connect (OSTI)

    Ma, J.; Zitney, S.

    2012-01-01T23:59:59.000Z

    Optimization of an advanced coal-fired integrated gasification combined cycle system requires an accurate numerical prediction of gasifier performance. While the turbulent multiphase reacting flow inside entrained-flow gasifiers has been modeled through computational fluid dynamic (CFD), the accuracy of sub-models requires further improvement. Built upon a previously developed CFD model for entrained-flow gasification, the advanced physical and chemical sub-models presented here include a moisture vaporization model with consideration of high mass transfer rate, a coal devolatilization model with more species to represent coal volatiles and heating rate effect on volatile yield, and careful selection of global gas phase reaction kinetics. The enhanced CFD model is applied to simulate two typical oxygen-blown entrained-flow configurations including a single-stage down-fired gasifier and a two-stage up-fired gasifier. The CFD results are reasonable in terms of predicted carbon conversion, syngas exit temperature, and syngas exit composition. The predicted profiles of velocity, temperature, and species mole fractions inside the entrained-flow gasifier models show trends similar to those observed in a diffusion-type flame. The predicted distributions of mole fractions of major species inside both gasifiers can be explained by the heterogeneous combustion and gasification reactions and the homogeneous gas phase reactions. It was also found that the syngas compositions at the CFD model exits are not in chemical equilibrium, indicating the kinetics for both heterogeneous and gas phase homogeneous reactions are important. Overall, the results achieved here indicate that the gasifier models reported in this paper are reliable and accurate enough to be incorporated into process/CFD co-simulations of IGCC power plants for systemwide design and optimization.

  8. Fluorine sites in glasses and transparent glass-ceramics of the system Na{sub 2}O/K{sub 2}O/Al{sub 2}O{sub 3}/SiO{sub 2}/BaF{sub 2}

    SciTech Connect (OSTI)

    Bocker, Christian, E-mail: christian.bocker@uni-jena.d [Otto-Schott-Institut, Jena University, Fraunhoferstr. 6, 07743 Jena (Germany); Munoz, Francisco; Duran, Alicia [Instituto de Ceramica y Vidrio (CSIC), Kelsen 5, 28049 Madrid (Spain); Ruessel, Christian [Otto-Schott-Institut, Jena University, Fraunhoferstr. 6, 07743 Jena (Germany)

    2011-02-15T23:59:59.000Z

    The transparent glass-ceramics obtained in the silicate system Na{sub 2}O/K{sub 2}O/SiO{sub 2}/BaF{sub 2} show homogeneously dispersed BaF{sub 2} nano crystals with a narrow size distribution. The X-ray diffraction and the nuclear magnetic resonance spectroscopy were applied to glasses and the respective glass-ceramics in order to clarify the crystallization mechanism and the role of fluorine during crystallization. With an increasing annealing time, the concentration and also the number of crystals remain approximately constant. With an increasing annealing temperature, the crystalline fraction increases until a saturation limit is reached, while the number of crystals decreases and the size of the crystals increases. Fluoride in the glassy network occurs as Al-F-Ba, Al-F-Na and also as Ba-F structures. The latter are transformed into crystalline BaF{sub 2} and fluoride is removed from the Al-F-Ba/Na bonds. However, some fluorine is still present in the glassy phase after the crystallization. -- Graphical abstract: The X-ray diffraction and the nuclear magnetic resonance spectroscopy were applied to glasses in the silicate system Na{sub 2}O/K{sub 2}O/SiO{sub 2}/BaF{sub 2} and the respective glass-ceramics with BaF{sub 2} nano crystals in order to clarify the crystallization mechanism and the role of fluorine during crystallization. Display Omitted Research highlights: {yields} BaF{sub 2} nano crystals are precipitated from a silicate glass system. {yields} Ostwald ripening during the late stage of crystallization does not occur. {yields} Fluorine in the glass is coordinated with Ba as well as Al together with Ba or Na.{yields} In the glass-ceramics, the residual fluorine is coordinated as Al-F-Ba/Na.

  9. Synthesis and structural characterization of Al{sub 7}C{sub 3}N{sub 3}-homeotypic aluminum silicon oxycarbonitride, (Al{sub 7-x}Si{sub x})(O{sub y}C{sub z}N{sub 6-y-z}) (x{approx}1.2, y{approx}1.0 and z{approx}3.5)

    SciTech Connect (OSTI)

    Urushihara, Daisuke; Kaga, Motoaki; Asaka, Toru [Department of Environmental and Materials Engineering, Nagoya Institute of Technology, Nagoya 466-8555 (Japan); Nakano, Hiromi [Cooperative Research Facility Center, Toyohashi University of Technology, Toyohashi 441-8580 (Japan); Fukuda, Koichiro, E-mail: fukuda.koichiro@nitech.ac.jp [Department of Environmental and Materials Engineering, Nagoya Institute of Technology, Nagoya 466-8555 (Japan)

    2011-08-15T23:59:59.000Z

    A new aluminum silicon oxycarbonitride, (Al{sub 5.8}Si{sub 1.2})(O{sub 1.0}C{sub 3.5}N{sub 1.5}), has been synthesized and characterized by X-ray powder diffraction (XRPD), transmission electron microscopy (TEM), energy dispersive X-ray spectroscopy (EDX) and electron energy loss spectroscopy (EELS). The title compound is hexagonal with space group P6{sub 3}/mmc and unit-cell dimensions a=0.322508(4) nm, c=3.17193(4) nm and V=0.285717(6) nm{sup 3}. The atom ratios of Al:Si and those of O:C:N were, respectively, determined by EDX and EELS. The initial structural model was successfully derived from the XRPD data by the direct methods and further refined by the Rietveld method. The crystal is most probably composed of four types of domains with nearly the same fraction, each of which is isotypic to Al{sub 7}C{sub 3}N{sub 3} with space group P6{sub 3}mc. The existence of another new oxycarbonitride (Al{sub 6.6}Si{sub 1.4})(O{sub 0.7}C{sub 4.3}N{sub 2.0}), which must be homeotypic to Al{sub 8}C{sub 3}N{sub 4}, has been also demonstrated by XRPD and TEM. - Graphical abstract: A new oxycarbonitride discovered in the Al-Si-O-C-N system, (Al{sub 7-x}Si{sub x})(O{sub y}C{sub z}N{sub 6-y-z}) (x{approx}1.2, y{approx}1.0 and z{approx}3.5). The crystal is composed of four types of domains (I, II, III and IV), and hence the structure is represented by a split-atom model. Individual crystal structures can be regarded as layered structures, which consist of A-type [(Al, Si){sub 4}(O, C, N){sub 4}] unit layers and B-type [(Al, Si)(O, C, N){sub 2}] single layers. Highlights: > (Al{sub 5.8}Si{sub 1.2})(O{sub 1.0}C{sub 3.5}N{sub 1.5}) as a new aluminum silicon oxycarbonitride. > Crystal structure is determined and represented by a split-atom model. > Existence of another new oxycarbonitride (Al{sub 6.6}Si{sub 1.4})(O{sub 0.7}C{sub 4.3}N{sub 2.0}) is demonstrated. > Both new materials are formed by oxidation and nitridation of (Al, Si){sub 6}(O, C){sub 5}.

  10. Transition metal chemistry of main group hydrazides. 16. (Phosphanyl)hydrazines R{sub 2}PN(Me)N(Me)PR{sub 2} as a novel class of chelating bis(phosphines). Synthesis, coordination chemistry, and X-ray structures of cis-[PdCl{sub 2}[(p-BrC{sub 6}H{sub 4}O){sub 2}PN-(Me)N(Me)P(OC{sub 6}H{sub 4}Br-p){sub 2}

    SciTech Connect (OSTI)

    Reedy, V.S.; Katti, K.V. [Center for Radiological Research and MU Research Reactor, Columbia, MO (United States); Barnes, C.L. [Univ. of Missouri, Columbia, MO (United States)

    1995-10-25T23:59:59.000Z

    The alkoxy- and aryloxy-functionalized bis(phosphanyl)hydrazines of the type (OR){sub 2}PN(Me)N(Me)P(OR){sub 2} were obtained from the reactions of the corresponding alcohols and phenols with Cl{sub 2}PN(Me)N(Me)PCl{sub 2} in the presence of Et{sub 3}N. Interaction of these ligands with group 6 metal carbonyl precursors M(CO){sub 4}(NHC{sub 5}H{sub 10}){sub 2}(M=Mo, W) gave the tetracarbonyl complexes of the type cis-[M(CO){sub 4}(OR){sub 2}PN(Me)N(Me)P(OR){sub 2}]. The reactions of the alkoxy and aryloxy-functionalized bis(phosphanyl)hydrazines with Pd(PhCN){sub 2}(Cl){sub 2} or with Pt(COD)Cl{sub 2} resulted in the formation of the complexes of the type cis[MCl{sub 2}(OR){sub 2}PN(Me)N(Me)P(OR){sub 2}]. The ligands are bound cis to the metal center(s) in all the complexes. The structures of all the complexes have been established by combination of spectroscopic and elemental analysis. As representative examples, the authors have determined the structures of cis-[W(CO){sub 4}[(OPh){sub 2}PN(Me)N(Me)P(OPh){sub 2}

  11. Synthesis and photoluminescence properties of the high-brightness Eu{sup 3+}-doped M{sub 2}Gd{sub 4}(MoO{sub 4}){sub 7} (M=Li, Na) red phosphors

    SciTech Connect (OSTI)

    Zhao Chengchun [Key Laboratory of Materials for High Power Laser, Shanghai Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Shanghai 201800 (China); Graduate School of Chinese Academy of Sciences, Beijing 100039 (China); Yin Xin [CAS Key Laboratory of Materials for Energy Conversion, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Huang Fuqiang, E-mail: huangfq@mail.sic.ac.cn [CAS Key Laboratory of Materials for Energy Conversion, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Hang Yin, E-mail: yhang@siom.ac.cn [Key Laboratory of Materials for High Power Laser, Shanghai Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Shanghai 201800 (China)

    2011-12-15T23:59:59.000Z

    A series of red-emitting phosphors Eu{sup 3+}-doped M{sub 2}Gd{sub 4}(MoO{sub 4}){sub 7} (M=Li, Na) have been successfully synthesized at 850 Degree-Sign C by solid state reaction. The excitation spectra of the two phosphors reveal two strong excitation bands at 396 nm and 466 nm, respectively, which match well with the two popular emissions from near-UV and blue light-emitting diode chips. The intensity of the emission from {sup 5}D{sub 0} to {sup 7}F{sub 2} of M{sub 2}(Gd{sub 1-x}Eu{sub x}){sub 4}(MoO{sub 4}){sub 7} phosphors with the optimal compositions of x=0.85 for Li or x=0.70 for Na is about five times higher than that of Y{sub 2}O{sub 3}:Eu{sup 3+}. The quantum efficiencies of the entitled phosphors excited under 396 nm and 466 nm are also investigated and compared with commercial phosphors Sr{sub 2}Si{sub 5}N{sub 8}:Eu{sup 2+} and Y{sub 3}A{sub 5}O{sub 12}:Ce{sup 3+}. The experimental results indicate that the Eu{sup 3+}-doped M{sub 2}Gd{sub 4}(MoO{sub 4}){sub 7} (M=Li, Na) phosphors are promising red-emitting phosphors pumped by near-UV and blue light. - Graphical Abstract: The intensity of the red emission of M{sub 2}(Gd{sub 1-x}Eu{sub x}){sub 4}(MoO{sub 4}){sub 7} (M=Li, Na) phosphors with the optimal compositions is about five times higher than that of Y{sub 2}O{sub 3}:Eu{sup 3+}. Highlights: Black-Right-Pointing-Pointer Two novel Eu{sup 3+}-doped red phosphors (Na{sub 2}Gd{sub 4}(MoO{sub 4}){sub 2}, Li{sub 2}Gd{sub 4}(MoO{sub 4}){sub 7}) were synthesized. Black-Right-Pointing-Pointer Their emission intensities are about five times higher than that of Y{sub 2}O{sub 3}:Eu{sup 3+}. Black-Right-Pointing-Pointer Their quantum efficiencies are higher than that of commercial red phosphor Sr{sub 2}Si{sub 5}N{sub 8}:Eu{sup 2+}.

  12. Electrochromic investigation of sol-gel-derived thin films of TiO{sub 2}-V{sub 2}O{sub 5}

    SciTech Connect (OSTI)

    Ivanova, T. [Central Laboratory of Solar Energy and New Energy Sources, Bulgarian Academy of Sciences, Blvd. 'Tzarigaradsko chaussee' 72, 1784 Sofia (Bulgaria)]. E-mail: tativan@phys.bas.bg; Harizanova, A. [Central Laboratory of Solar Energy and New Energy Sources, Bulgarian Academy of Sciences, Blvd. 'Tzarigaradsko chaussee' 72, 1784 Sofia (Bulgaria)

    2005-03-08T23:59:59.000Z

    Thin films of TiO{sub 2} and TiO{sub 2}-V{sub 2}O{sub 5} were obtained by dip-coating sol-gel technique. Sols were prepared from titanium ethoxide and inorganic V{sub 2}O{sub 5} sol received by dissolution of vanadium pentoxide in hydrogen peroxide. Sol-gel TiO{sub 2} and TiO{sub 2}-V{sub 2}O{sub 5} films are deposited on conductive glass substrates. TiO{sub 2} and TiO{sub 2}-V{sub 2}O{sub 5} systems were characterized by FTIR and Raman spectroscopy. Optical transmittance measurements were carried out. Electrochromic characterization was recorded by cyclic voltammetry using three-electrode arrangement. All samples demonstrated electrochromic effect.

  13. Separation and Volatility of Locational Marginal Prices in Restructured Wholesale Power Markets

    E-Print Network [OSTI]

    Tesfatsion, Leigh

    1 Separation and Volatility of Locational Marginal Prices in Restructured Wholesale Power Markets (LMPs) in an ISO-managed restructured wholesale power market operating over an AC transmission grid-determining) generation companies induce correlations among neighboring LMPs. Index Terms--Restructured wholesale power

  14. Accurate dispensing of volatile reagents on demand for chemical reactions in EWOD chips{

    E-Print Network [OSTI]

    Accurate dispensing of volatile reagents on demand for chemical reactions in EWOD chips{ Huijiang the use of a filler liquid (e.g., oil). These properties pose challenges for delivering controlled volumes are introduced to the chip, independent of time delays between dispensing operations. On-demand dispensing

  15. Field Test to Demonstrate Real-Time In-Situ Detection of Volatile Organic Compounds

    E-Print Network [OSTI]

    Ho, Cliff

    1 Field Test to Demonstrate Real-Time In-Situ Detection of Volatile Organic Compounds Hazmat Spill Center, Nevada Test Site September 19-25, 2001 Clifford K. Ho Sandia National Laboratories Albuquerque-filled 55- gallon drum at the Hazmat Spill Center at the Nevada Test Site. Background and Objectives Tens

  16. A theoretical study of discrete air phase migration contaminated with a volatile organic

    E-Print Network [OSTI]

    Drazenovic, Mirna

    1997-01-01T23:59:59.000Z

    saturated porous media, while the second part presents volatile contaminant transport in bubbly air flow. The first part of the study is developed in order to determine bubble rise velocity in four flow regimes i.e., steady state, quasi-steady state...

  17. Experimental evidence for interaction of water vapor and platinum crucibles at high temperatures : Implications for volatiles

    E-Print Network [OSTI]

    Cartigny, Pierre

    The extraction of water from igneous rocks and minerals is classically achieved by induction heating or foils, to extract water from rocks or minerals should be avoided. The interaction high- lighted : Implications for volatiles from igneous rocks and minerals Matthieu Clog , Pierre Cartigny, Cyril Aubaud

  18. An empirical behavioral model of liquidity and volatility Szabolcs Mike and J. Doyne Farmer

    E-Print Network [OSTI]

    develop a behavioral model for liquidity and volatility based on empirical reg- ularities in trading order interesting regularities in the way trading orders are placed and cancelled. The resulting simple model of absolute returns |r| are well described by a power law of the form P(|r| > R) R-r , with a value of r

  19. Analysis of the atmospheric distribution, sources, and sinks of oxygenated volatile organic chemicals based on

    E-Print Network [OSTI]

    Jacob, Daniel J.

    chemicals based on measurements over the Pacific during TRACE-P H. B. Singh,1 L. J. Salas,1 R. B. Chatfield measurements of a large number of oxygenated volatile organic chemicals (OVOC) were carried out in the Pacific of OVOC is comparable to that of methane and far exceeds that of NMHC. A comparison of these data

  20. Effects on milk yield and composition of infusions of volatile fatty acids and caseinate into

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    Effects on milk yield and composition of infusions of volatile fatty acids and caseinate isoenergetic infusions of either a low (17 mol/day of 64% acetic, 21% propionic and 15% butyric acids) or high that with infusions, energy and nitrogen needs were met and consisted of 60% maize silage, 10% hay, 21.5% energy

  1. Options introduction and volatility in the EU ETS1 Julien Chevallier 2

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    of derivatives instruments on the underlying crude oil market and derived products. Thus, detecting whether identify a potential destabilizing effect of the introduction of options on the underlying market (EU ETS either decrease (due to more market depth) or increase (due to more speculation) volatility

  2. Volatile organic acids and microbial processes in the Yegua formation, east-central Texas

    E-Print Network [OSTI]

    Grossman, Ethan L.

    and Geophysics, Texas A&M University, College Station, TX, 77843, USA b Institute for Energy and the EnvironmentVolatile organic acids and microbial processes in the Yegua formation, east-central Texas Joyanto production of VOAs by microorganisms in mudstones, and net consumption of VOAs by SO4 reducing bacteria (SRB

  3. A Tree's Response to Herbivory: Quantification of Biogenic Volatile Organic Compound Emissions

    E-Print Network [OSTI]

    Collins, Gary S.

    A Tree's Response to Herbivory: Quantification of Biogenic Volatile Organic Compound Emissions an abundant source of Secondary Organic Aerosols (SOA). These emissions are known to vary in quantity and composition due to both biogenic and anthropogenic stressors. In this study, BVOC emissions from bristlecone

  4. Volatile impurities in the ceramic form for the Plutonium Immobilization Project (PIP)

    SciTech Connect (OSTI)

    Cozzi, A.D.

    2000-03-02T23:59:59.000Z

    The primary goal for the impurity tests performed at SRS was to determine the maximum level of volatile impurities that can be accommodated into the ceramic form without significantly affecting product properties. The properties investigated in this study are the apparent porosity and the phase assemblage.

  5. Agriculture and Trade Opportunities for Tanzania: Past Volatility and Future Climate Changerode_672 429..447

    E-Print Network [OSTI]

    Pittendrigh, Barry

    Agriculture and Trade Opportunities for Tanzania: Past Volatility and Future Climate Changerode_672 global heterogeneity in climate-induced agricultural variability,Tanzania has the potential to substan could thus export grain to countries as climate change increases the likelihood of severe precipitation

  6. Low-Level Detections of Halogenated Volatile Organic Compounds in Groundwater

    E-Print Network [OSTI]

    compounds; Groundwater management; Drinking water. Introduction Approximately one-half of the U and Hitt 2006 , or more complex process-based analyses utilizing groundwater models Eberts et al. 2005Low-Level Detections of Halogenated Volatile Organic Compounds in Groundwater: Use in Vulnerability

  7. Environmental chamber studies of atmospheric reactivities of volatile organic compounds: Effects of varying chamber and light source

    SciTech Connect (OSTI)

    Carter, W.; Luo, D.; Malkina, I.; Pierce, J. [California Univ., Riverside, CA (United States)

    1995-05-01T23:59:59.000Z

    Photochemical oxidant models are essential tools for assessing effects of emissions changes on ground-level ozone formation. Such models are needed for predicting the ozone impacts of increased alternative fuel use. The gas-phase photochemical mechanism is an important component of these models because ozone is not emitted directly, but is formed from the gas-phase photochemical reactions of the emitted volatile organic compounds (VOCs) and oxides of nitrogen (NO{sub x}) in air. The chemistry of ground level ozone formation is complex; hundreds of types of VOCs being emitted into the atmosphere, and most of their atmospheric reactions are not completely understood. Because of this, no chemical model can be relied upon to give even approximately accurate predictions unless it has been evaluated by comparing its predictions with experimental data. Therefore an experimental and modeling study was conducted to assess how chemical mechanism evaluations using environmental chamber data are affected by the light source and other chamber characteristics. Xenon arc lights appear to give the best artificial representation of sunlight currently available, and experiments were conducted in a new Teflon chamber constructed using such a light source. Experiments were also conducted in an outdoor Teflon Chamber using new procedures to improve the light characterization, and in Teflon chambers using blacklights. These results, and results of previous runs other chambers, were compared with model predictions using an updated detailed chemical mechanism. The magnitude of the chamber radical source assumed when modeling the previous runs were found to be too high; this has implications in previous mechanism evaluations. Temperature dependencies of chamber effects can explain temperature dependencies in chamber experiments when Ta-300{degree}K, but not at temperatures below that.

  8. Processing of the intermetallic matrix composite Ni[sub 76]Al[sub 23. 9]B[sub 0. 1]/[alpha]-Al[sub 2]O[sub 3] from nickel-plated alumina powder

    SciTech Connect (OSTI)

    Chiou, W.C.; Hu, C.T. (National Tsing Hua Univ., Hsinchu (Taiwan, Province of China). Dept. of Materials Science and Engineering)

    1994-09-01T23:59:59.000Z

    The nickel aluminide intermetallic compound Ni[sub 3]Al exhibits many extraordinary properties. In addition, the intrinsic brittleness of the polycrystalline Ni[sub 76]Al[sub 24] compound at ambient temperatures is eliminated by microalloying with boron (B 0.1 percent). In the present report the authors demonstrate a new approach to prepare Ni[sub 76]Al[sub 23.9]B[sub 0.1]/[alpha]-Al[sub 2]O[sub 3] IMC from electroless nickel-boron-plated [alpha]-Al[sub 2]O[sub 3] powder mixed with Ni and Al powder and sintered. Expensive facilities, i.e. HIP and vacuum HP etc., are unnecessary, but ductile fracture behavior and excellent elongation are observed.

  9. Effets d'infusions d'un mlange complet d'acides gras volatils en cours de repas sur la prise alimentaire de vaches taries

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    Effets d'infusions d'un mélange complet d'acides gras volatils en cours de repas sur la prise-Gilles, 35590 L'Hermitage, France Summary ― Infusions of 3 or 6 mol of a volatile fatty acid mixture dépressifs des infusions d'acides gras volatils (AGV) dans le rumen sur l'ingestion d'aliments ont été

  10. Two-dimensional titanium carbonitrides and their hydroxylated derivatives: Structural, electronic properties and stability of MXenes Ti{sub 3}C{sub 2?x}N{sub x}(OH){sub 2} from DFTB calculations

    SciTech Connect (OSTI)

    Enyashin, A.N.; Ivanovskii, A.L., E-mail: ivanovskii@ihim.uran.ru

    2013-11-15T23:59:59.000Z

    The structural, electronic properties and stability of the new MXene compounds—two-dimensional pristine carbonitrides Ti{sub 3}C{sub 2?x}N{sub x} and their hydroxylated derivatives Ti{sub 3}C{sub 2?x}N{sub x}(OH){sub 2} are studied by means of DFTB calculations. The genesis of the properties is discussed in the sequence: binary MXenes Ti{sub 3}C{sub 2} (Ti{sub 3}N{sub 2})?hydroxylated forms Ti{sub 3}C{sub 2}(OH){sub 2} (Ti{sub 3}N{sub 2}(OH){sub 2})?pristine MXene Ti{sub 3}C{sub 2?x}N{sub x}?hydroxylated Ti{sub 3}C{sub 2?x}N{sub x}(OH){sub 2}. All examined materials are metallic-like. The most favorable type of OH-covering is presented by the occupation of the hollow sites between three neighboring carbon (nitrogen) atoms. Two-dimensional MXene carbonitrides with random distribution of C and N atoms are found to be thermodynamically more favorable. - Graphical abstract: The side views of the optimized atomic structures of some examined hydroxylated derivatives of MXene Ti{sub 3}CN and their electronic band structures. Display Omitted - Highlights: • Very recently 2D titanium carbonitrides have been synthesized. • Structural, electronic properties and stability for these materials were evaluated. • The hydroxylated derivatives of 2D titanium carbonitrides are examined.

  11. Oil and Natural Gas in Sub-Saharan Africa

    U.S. Energy Information Administration (EIA) Indexed Site

    Natural Gas in Sub-Saharan Africa August 1, 2013 2 Sub-Saharan Africa Source: U.S. Department of State Liquid Fuels Reserves and Production in Sub-Saharan Africa 3 4 Sub-Saharan...

  12. Structural distortion in RPt sub 2 Sn sub 2 compounds (R = rare earth)

    SciTech Connect (OSTI)

    Latroche, M.; Selsane, M.; Godart, C.; Schiffmacher, G. (Centre National de la Recherche Scientifique (CNRS), 92 - Meudon-Bellevue (France)); Beyerman, W.P.; Thompson, J.D. (Los Alamos National Lab., NM (USA))

    1991-01-01T23:59:59.000Z

    CeM{sub 2}X{sub 2} compounds (M-transition metals, X = Si, Ge, Sn) exhibit very exotic properties such as intermediate valence state, heavy fermion, magnetism, and superconductivity. Most of them crystallize in the ThCr{sub 2}Si{sub 2} type structure (14/nmm) while a few adopt the CeBe{sub 2}Ge{sub 2} primitive one (P4/nmmm). Among these compounds, CePt{sub 2}Sn{sub 2} has the heaviest known specific heat coefficient ({gamma} = 3.5 J/mol-K{sup 2}) and orders antiferromagnetically at T{sub N} = 0.88 K. Samples of CePt{sub 2}Sn{sub 2}, Ce{sub 0.e}La{sub 0.2}Pt{sub 2}Sn{sub 2}, and LaPt{sub 2}Sn{sub 2} have been studied by X-ray powder diffraction experiments including Rietveld calculations before and after annealing. As-cast samples can be indexed in the tetragonal primitive cell; however, re- examination of annealed samples (1 3 days at 800{degrees}C and 3 weeks at 700{degrees}C) reveals a monoclinic distortion of the lattice. Such a distortion has already been observed for CeNi{sub 2}Sn{sub 2}. Furthermore, our diffraction patterns show evidence for superlattice lines at twice the unit cell parameters, which was verified by transmission electron microscopy. Microprobes analysis on these samples show that the Pt sublattice is slightly substoichiometric (97.5%). Thus strains due to large atomic radii and ordering of Pt vacancies could be responsible for the monoclinic distortion and superlattice lines. 13 refs., 3 figs., 1 tab.

  13. Microstructure and hydriding studies of AB/sub 5/ hydrogen storage compounds. Final report

    SciTech Connect (OSTI)

    Goodell, P.D.; Sandrock, G.D.; Huston, E.L.

    1980-01-01T23:59:59.000Z

    New data on the microstructure, pressure-composition-temperature, and absorption/desorption kinetics of AB/sub 5/ metal hydrides are presented. The most significant result to emerge from the investigation is that many of the AB/sub 5/ metal hydrides, especially the LaNi/sub 5/ related materials, show instantaneous absorption and desorption response in proportion to the amount of cooling or heating which is provided. Eight categories of materials were studied: reference alloys (LaNi/sub 5/, LaNi/sub 4/ /sub 9/Al/sub 0/ /sub 1/, LaNi/sub 3/Co/sub 2/); Ni second phase particles (LaNi/sub 5/ /sub 67/, LaNi/sub 7/, LaNi/sub 11/ /sub 3/); eutectoid microstructure (SmCo/sub 5/); other second phases (LaNi/sub 3/ /sub 8/Fe/sub 1/ /sub 2/, LaNi/sub 3/ /sub 5/Cr/sub 1/ /sub 5/, LaNi/sub 4/Cr, LaNi/sub 4/Si; LaNi/sub 4/Sn, MNi/sub 4/Sn, MNi/sub 4/ /sub 3/Al/sub 0/ /sub 7/); substitutional elements (LaNi/sub 4/Cu, LaNi/sub 4/ /sub 5/Pd/sub 0/ /sub 5/, LaNi/sub 4/ /sub 7/Sn/sub 0/ /sub 3/, LaNi/sub 4/ /sub 8/C/sub 0/ /sub 2/, MNi/sub 4/ /sub 3/Mn/sub 0/ /sub 7/); surface active elements (LaNi/sub 4/ /sub 8/B/sub 0/ /sub 2/, LaNi/sub 4/ /sub 9/S/sub 0/ /sub 1/, LaNi/sub 4/ /sub 9/Se/sub 0/ /sub 1/); large diameter atom substitutions (Mg/sub 0/ /sub 1/La/sub 0/ /sub 9/Ni/sub 5/, Ca/sub 0/ /sub 2/La/sub 0/ /sub 8/Ni/sub 5/, Sr/sub 0/ /sub 2/La/sub 0/ /sub 8/Ni/sub 5/, Ba/sub 0/ /sub 2/La/sub 0/ /sub 8/Ni/sub 5/); other compositions (LaNi/sub 3/); and Pd plating (electroless plated samples and mechanically alloyed specimens).

  14. Synthesis, crystal and electronic structure, and physical properties of the new lanthanum copper telluride La{sub 3}Cu{sub 5}Te{sub 7}

    SciTech Connect (OSTI)

    Zelinska, Mariya; Assoud, Abdeljalil [Department of Chemistry, University of Waterloo, Waterloo, ON, Canada N2L 3G1 (Canada); Kleinke, Holger, E-mail: kleinke@uwaterloo.c [Department of Chemistry, University of Waterloo, Waterloo, ON, Canada N2L 3G1 (Canada)

    2011-03-15T23:59:59.000Z

    The new lanthanum copper telluride La{sub 3}Cu{sub 5-x}Te{sub 7} has been obtained by annealing the elements at 1073 K. Single-crystal X-ray diffraction studies revealed that the title compound crystallizes in a new structure type, space group Pnma (no. 62) with lattice dimensions of a=8.2326(3) A, b=25.9466(9) A, c=7.3402(3) A, V=1567.9(1) A{sup 3}, Z=4 for La{sub 3}Cu{sub 4.86(4)}Te{sub 7}. The structure of La{sub 3}Cu{sub 5-x}Te{sub 7} is remarkably complex. The Cu and Te atoms build up a three-dimensional covalent network. The coordination polyhedra include trigonal LaTe{sub 6} prisms, capped trigonal LaTe{sub 7} prisms, CuTe{sub 4} tetrahedra, and CuTe{sub 3} pyramids. All Cu sites exhibit deficiencies of various extents. Electrical property measurements on a sintered pellet of La{sub 3}Cu{sub 4.86}Te{sub 7} indicate that it is a p-type semiconductor in accordance with the electronic structure calculations. -- Graphical abstract: Oligomeric unit comprising interconnected CuTe{sub 3} pyramids and CuTe{sub 4} tetrahedra. Display Omitted Research highlights: {yields} La{sub 3}Cu{sub 5-x}Te{sub 7} adopts a new structure type. {yields} All Cu sites exhibit deficiencies of various extents. {yields} The coordination polyhedra include trigonal LaTe{sub 6} prisms, capped trigonal LaTe{sub 7} prisms, CuTe{sub 4} tetrahedra and CuTe{sub 3} pyramids. {yields} La{sub 3}Cu{sub 5-x}Te{sub 7} is a p-type semiconductor.

  15. Structural stability and depolarization of manganese-doped (Bi{sub 0.5}Na{sub 0.5}){sub 1?x}Ba{sub x}TiO{sub 3} relaxor ferroelectrics

    SciTech Connect (OSTI)

    Wang, Sheng-Fen [Department of Physics, Fu Jen Catholic University, New Taipei City 24205, Taiwan (China); Tu, Chi-Shun, E-mail: 039611@mail.fju.edu.tw [Department of Physics, Fu Jen Catholic University, New Taipei City 24205, Taiwan (China); Graduate Institute of Applied Science and Engineering, Fu Jen Catholic University, New Taipei City 24205, Taiwan (China); Chang, Ting-Lun; Chen, Pin-Yi [Department of Mechanical Engineering, Ming-Chi University of Technology, New Taipei City 24301, Taiwan (China); Chen, Cheng-Sao [Department of Mechanical Engineering, Hwa-Hsia University of Technology, New Taipei City 23567, Taiwan (China); Hugo Schmidt, V. [Department of Physics, Montana State University, Bozeman, Montana 59717 (United States); Anthoniappen, J. [Graduate Institute of Applied Science and Engineering, Fu Jen Catholic University, New Taipei City 24205, Taiwan (China)

    2014-10-21T23:59:59.000Z

    This work reveals that 0.5?mol. % manganese (Mn) doping in (Bi{sub 0.5}Na{sub 0.5}){sub 1?x}Ba{sub x}TiO{sub 3} (x?=?0 and 0.075) solid solutions can increase structural thermal stability, depolarization temperature (T{sub d}), piezoelectric coefficient (d{sub 33}), and electromechanical coupling factor (k{sub t}). High-resolution X-ray diffraction and transmission electron microscopy reveal coexistence of rhombohedral (R) R3c and tetragonal (T) P4bm phases in (Bi{sub 0.5}Na{sub 0.5}){sub 0.925}Ba{sub 0.075}TiO{sub 3} (BN7.5BT) and 0.5?mol. % Mn-doped BN7.5BT (BN7.5BT-0.5Mn). (Bi{sub 0.5}Na{sub 0.5})TiO{sub 3} (BNT) and BN7.5BT show an R???R?+?T phase transition, which does not occur in 0.5?mol. % Mn-doped BNT (BNT-0.5Mn) and BN7.5BT-0.5Mn. Dielectric permittivity (??) follows the Curie-Weiss equation, ???=?C/(T???T{sub o}), above the Burns temperature (T{sub B}), below which polar nanoregions begin to develop. The direct piezoelectric coefficient (d{sub 33}) and electromechanical coupling factor (k{sub t}) of BN7.5BT-0.5Mn reach 190 pC/N and 47%.

  16. Ordering and oxygen content effects in YBa sub 2 (Cu sub 1 minus x Fe sub x ) sub 3 O sub 7 samples observed by high-temperature Moessbauer spectroscopy

    SciTech Connect (OSTI)

    Saitovitch, E.B.; Scorzelli, R.B.; Azevedo, I.S.; dos Santos, C.A. (Centro Brasileiro de Pesquisas F isicas, Rua Dr. Xavier Sigaud, 150, 22290, Rio de Janeiro-RJ, Brasil (BR))

    1990-05-01T23:59:59.000Z

    We report here {ital in} {ital situ} high-temperature {sup 57}Fe Moessbauer measurements on YBa{sub 2}(Cu{sub 1{minus}{ital x}}Fe{sub {ital x}}){sub 3}O{sub 7} samples in controlled oxygen atmosphere, in air, or in vacuum. In these conditions, fundamental information can be obtained related to the thermal stability of the different Fe species, as well as the mechanism of oxygen loss.

  17. Negative magnetodielectric effect in CaCu{sub 3}Ti{sub 4}O{sub 12}

    SciTech Connect (OSTI)

    Chen, Kai, E-mail: kai@njust.edu.cn, E-mail: jszhu@nju.edu.cn, E-mail: withers@rsc.anu.edu.au [Department of Physics, Nanjing University of Science and Technology, Nanjing 210094 (China); National Laboratory of Solid State Microstructures, Nanjing University, Nanjing 210093 (China); Research School of Chemistry, Australian National University, Canberra ACT 0200 (Australia); Huang, Chenxi; Zhang, Xirui [Department of Physics, Nanjing University of Science and Technology, Nanjing 210094 (China); Yu, Yuanlie; Lau, Kenny; Hu, Wanbiao; Li, Qian; Wang, Jian; Withers, Ray L., E-mail: kai@njust.edu.cn, E-mail: jszhu@nju.edu.cn, E-mail: withers@rsc.anu.edu.au [Research School of Chemistry, Australian National University, Canberra ACT 0200 (Australia); Lin, Weiwei; Qiu, Li; Zhu, Jinsong, E-mail: kai@njust.edu.cn, E-mail: jszhu@nju.edu.cn, E-mail: withers@rsc.anu.edu.au [National Laboratory of Solid State Microstructures, Nanjing University, Nanjing 210093 (China); Liu, Junming [National Laboratory of Solid State Microstructures, Nanjing University, Nanjing 210093 (China); China and International Center for Materials Physics, Chinese Academy of Sciences, Shenyang 110016 (China)

    2013-12-21T23:59:59.000Z

    Real part of complex relative dielectric value is relatively decreased as large as ??5?% from 50?K to 200?K in CaCu{sub 3}Ti{sub 4}O{sub 12}, by applying a 6-T static magnetic field. CaCu{sub 3}Ti{sub 4}O{sub 12} is thus implied primarily by the negative magnetodielectric effect, as a unified dielectric system in which 1-D finite dipole chains of B-site titanium ions, coexist with a collective of polaron-like 3d-electrons of A-site copper ions: the dipole chains are thermally activated for lattice ionic polarization above 50?K, and suppressed by the short-range hop of these quasi-particles, while their long-range movement are for bulk electronic polarization above 151?K.

  18. Magnetisation studies of phase co-existence in Gd{sub 1-x}Ca{sub x}BaCo{sub 2}O{sub 5.5}

    SciTech Connect (OSTI)

    Thirumurugan, N. [Condensed Matter Physics Division, Indira Gandhi Centre for Atomic Research, Kalpakkam (India)] [Condensed Matter Physics Division, Indira Gandhi Centre for Atomic Research, Kalpakkam (India); Bharathi, A., E-mail: bharathi@igcar.gov.in [Condensed Matter Physics Division, Indira Gandhi Centre for Atomic Research, Kalpakkam (India); Arulraj, A.; Sundar, C.S. [Condensed Matter Physics Division, Indira Gandhi Centre for Atomic Research, Kalpakkam (India)] [Condensed Matter Physics Division, Indira Gandhi Centre for Atomic Research, Kalpakkam (India)

    2012-04-15T23:59:59.000Z

    Highlights: Black-Right-Pointing-Pointer The series Gd{sub 1-x}Ca{sub x}BaCo{sub 2}O{sub 5.5} was synthesised by solid state reaction. Black-Right-Pointing-Pointer Magnetisation studies were carried out in the 4-300 K temperature range in magnetic fields upto 16 Tesla. Black-Right-Pointing-Pointer Results were used to formulate the T versus Ca fraction, phase diagram. Black-Right-Pointing-Pointer Evidence for Magnet-electronic phase separation is shown for the first time in the compound. -- Abstract: Magnetic properties of hole doped, oxygen deficient double perovskite compounds, Gd{sub 1-x}Ca{sub x}BaCo{sub 2}O{sub 5.5}, have been investigated. Ferromagnetic transition temperatures increase and the anti-ferromagnetic transition temperatures decrease with Ca substitution leading to stabilisation of ferromagnetisim for x {>=} 0.05. A detailed study of the ferromagnetic phase indicates the presence of double hysterisis loops for Ca fractions, 0.05 {<=} x {<=} 0.2 in the 50-200 K temperature range, suggestive of the co-existence of two ferromagnetic phases with different co-ercivities. Based on the magnetisation and transport measurements a phase diagram is proposed for Ca doped GdBaCo{sub 2}O{sub 5.5}.

  19. Role of pressure in understanding the anomalous superconductivity in europium (molybdenum)/sub 6/(sulfur)/sub 8/ and (TMTSF)/sub 2/FSO/sub 3/

    SciTech Connect (OSTI)

    Wolf, S.A.; Huang, C.Y.; Lacoe, R.C.; Chaikin, P.M.; Fuller, W.W.; Luo, H.L.; Wudl, F.

    1983-01-01T23:59:59.000Z

    Both the Chevrel phase compound EuMo/sub 6/S/sub 8/ and the organic material, (TMTSF)/sub 2/FSO/sub 3/ are superconducting only under moderate pressure. In both instances the absence of superconductivity at ambient pressure is directly attributed to a low temperature structural distortion that introduces a gap over all or part of the Fermi surface. The role of pressure is to suppress the transition and thus allow the electrons to condense into the superconducting state. In EuMo/sub 6/S/sub 8/, details of the pressure dependence of both the structural and superconducting transition have been explained on the basis of a competition between a charge density wave-type state and superconductivity. In the case of (TMTSF)/sub 2/FSO/sub 3/ an anion ordering giving rise to a metal-insulator transition is responsible for suppressing superconductivity. The critical magnetic fields of EuMo/sub 6/S/sub 8/ are extremely anomalous and are related to the magnetism of the Eu as well as the structure of the compound.

  20. Magnetic properties of Co{sub 2?x}TM{sub x}C and Co{sub 3?x}TM{sub x}C nanoparticles

    SciTech Connect (OSTI)

    Qian, Meichun; Khanna, Shiv N., E-mail: snkhanna@vcu.edu [Department of Physics, Virginia Commonwealth University, Richmond, Virginia 23284 (United States)

    2013-12-28T23:59:59.000Z

    Using synthetic chemical approaches, it is now possible to synthesize transition metal carbides nanoparticles with morphology, where the transition metal layers are embedded with intervening layers of carbon atoms. A composite material consisting of Co{sub 2}C and Co{sub 3}C nanoparticles has been found to exhibit unusually large coercivity and energy product. Here, we demonstrate that the magnetic moments and the anisotropy can be further enhanced by using a combination of Co and other transition metals (TM). Our studies are based on mixed nanoparticles Co{sub 2?x}TM{sub x}C and Co{sub 3?x}TM{sub x}C, in which selected Co sites are replaced with 3d transition elements Cr, Mn, and Fe. The studies indicate that the replacement of Co by Fe results in an increase of both the magnetic moment and the magnetic anisotropy. In particular, CoFe{sub 2}C is shown to have an average spin moment of 2.56??{sub B} and a magnetic anisotropy of 0.353?meV/formula unit compared to 1.67??{sub B} and 0.206?meV/formula unit for the Co{sub 3}C. Detailed examination of the electronic structure shows that the limited hybridization of carbon p-states with transition metal d-states drives the larger anisotropy.

  1. Probing the connections between superconductivity, stripe order, and structure in La?.???Ba?.???Cu<sub>1-ysub>Zny>O?

    SciTech Connect (OSTI)

    Wen, Jinsheng; Xu, Zhijun; Xu, Guangyong; Jie, Qing; Hücker, M.; Zheludev, A.; Tian, Wei; Winn, B. L.; Zarestky, J. L.; Singh, D. K.; Hong, Tao; Li, Qiang; Gu, Genda; Tranquada, J. M.

    2012-04-01T23:59:59.000Z

    The superconducting system La<sub>2-xsub>Bax>CuO? is known to show a minimum in the transition temperature T<sub>c> at x=1/8 where maximal stripe order is pinned by the anisotropy within the CuO? planes that occurs in the low-temperature-tetragonal (LTT) crystal structure. For x=0.095, where T<sub>c> reaches its maximum value of 32 K, there is a roughly coincident structural transition to a phase that is very close to LTT. Here, we present a neutron scattering study of the structural transition, and demonstrate how features of it correlate with anomalies in the magnetic susceptibility, electrical resistivity, thermal conductivity, and thermoelectric power. We also present measurements on a crystal with 1% Zn substituted for Cu, which reduces T<sub>c> to 17 K, enhances the spin stripe order, but has much less effect on the structural transition. We make the case that the structural transition correlates with a reduction of the Josephson coupling between the CuO? layers, which interrupts the growth of the superconducting order. We also discuss evidence for two-dimensional superconducting fluctuations in the normal state, analyze the effective magnetic moment per Zn impurity, and consider the significance of the anomalous thermopower often reported in the stripe-ordered phase.

  2. Behavior of the magnetocaloric effect and critical exponents in La{sub 0.67}Sr{sub 0.33}Mn{sub 1?x}V{sub x}O{sub 3} manganite oxide

    SciTech Connect (OSTI)

    Mnefgui, S., E-mail: safa_fsm@yahoo.fr [Laboratoire de la Matičre Condensée et de la Nanoscience, Département de Physique, Faculté des Sciences de Monastir, 5019 Tunisia (Tunisia); Zaidi, N.; Dhahri, A. [Laboratoire de la Matičre Condensée et de la Nanoscience, Département de Physique, Faculté des Sciences de Monastir, 5019 Tunisia (Tunisia); Hlil, E.K. [Institut Néel, CNRS-Université J. Fourier, B.P. 166, 38042 Grenoble (France); Dhahri, J. [Laboratoire de la Matičre Condensée et de la Nanoscience, Département de Physique, Faculté des Sciences de Monastir, 5019 Tunisia (Tunisia)

    2014-07-01T23:59:59.000Z

    We have investigated the magnetocaloric effect along with magnetic phase transition and critical exponent analysis in mixed manganite La{sub 0.67}Sr{sub 0.33}Mn{sub 1?x}V{sub x}O{sub 3} (0?x?0.15). To determine the nature of the paramagnetic to ferromagnetic phase transition, found to be of second-order, we performed a critical exponents study by dc-magnetization M(H,T) measurements around the Curie temperature T{sub C}. Modified Arrott plot method has been adopted to study the critical behavior of the compounds at their transition region, the values of critical exponents ?, ? and ? are close to those expected for three-dimensional Heisenberg class with short-range interaction. A large magnetic entropy change |?S{sub M}| deduced from isothermal magnetization curves, has been observed in our samples with a peak centered on their respective T{sub C}. With increase in vanadium content, the temperature corresponding to the maximum entropy change as well as the magnetic transition temperature gradually shifts to low temperatures. The field dependence of the magnetic entropy change is also analyzed, which shows the power law dependence namely, ?S{sub M}?H{sup n}. Relative cooling power increases from 205 J/kg for x=0.00 to 258 J/Kg for x=0.15 making these materials a promising candidates for magnetic refrigeration near room temperature. - Graphical abstract: Scaling plot below and above T{sub C} using the ? and ? exponents determined from the Arrot plot method of La{sub 0.67}Sr{sub 0.33}Mn{sub 1?x}V{sub x}O{sub 3} for x=0.15. - Highlights: • The paramagnetic to ferromagnetic phase transition of La{sub 0.67}Sr{sub 0.33}Mn{sub 1?x}V{sub x}O{sub 3} (0?x?0.15) is found to be of second-order. • The field dependence of the magnetic entropy shows the power law dependence namely, ?S{sub M}?H{sup n}. • Moderate values of ??S{sub M}{sup max} and RCP make the La{sub 0.67}Sr{sub 0.33}Mn{sub 1?x}V{sub x}O{sub 3} compounds potential candidates for magnetic refrigeration applications.

  3. Y{sub 2}MoSe{sub 3}O{sub 12} and Y{sub 2}MoTe{sub 3}O{sub 12}: Solid-state synthesis, structure determination, and characterization of two new quaternary mixed metal oxides containing asymmetric coordination environment

    SciTech Connect (OSTI)

    Bang, Seong-eun; Pan, Zhi; Kim, Yeong Hun; Lee, Dong Woo; Ok, Kang Min, E-mail: kmok@cau.ac.kr

    2013-12-15T23:59:59.000Z

    Two new quaternary yttrium molybdenum selenium/tellurium oxides, Y{sub 2}MoSe{sub 3}O{sub 12} and Y{sub 2}MoTe{sub 3}O{sub 12} have been prepared by standard solid-state reactions using Y{sub 2}O{sub 3}, MoO{sub 3}, and SeO{sub 2} (or TeO{sub 2}) as reagents. Single-crystal X-ray diffraction was used to determine the crystal structures of the reported materials. Although both of the materials contain second-order Jahn–Teller (SOJT) distortive cations and are stoichiometrically similar, they reveal different structural features: while Y{sub 2}MoSe{sub 3}O{sub 12} shows a three-dimensional framework consisting of YO{sub 8}, MoO{sub 6}, and SeO{sub 3} groups, Y{sub 2}MoTe{sub 3}O{sub 12} exhibits a layered structure composed of YO{sub 8}, MoO{sub 4}, TeO{sub 3}, and TeO{sub 4} polyhedra. With the Mo{sup 6+} cations in Y{sub 2}MoSe{sub 3}O{sub 12}, a C{sub 3}-type intraoctahedral distortion toward a face is observed, in which the direction of the out-of-center distortion for Mo{sup 6+} is away from the oxide ligand linked to a Se{sup 4+} cation. The Se{sup 4+} and Te{sup 4+} cations in both materials are in asymmetric coordination environment attributed to the lone pairs. Elemental analyses, infrared spectroscopy, thermal analyses, intraoctahedral distortions, and dipole moment calculations for the compounds are also presented. - Graphical abstract: Y{sub 2}MoSe{sub 3}O{sub 12} reveals a three-dimensional framework consisting of YO{sub 8}, MoO{sub 6}, and SeO{sub 3} polyhedra, whereas Y{sub 2}MoTe{sub 3}O{sub 12} exhibits a layered structure composed of YO{sub 8}, MoO{sub 4}, TeO{sub 3}, and TeO{sub 4} groups. - Highlights: • Two new selenite and tellurite (Y{sub 2}MoQ{sub 3}O{sub 12}; Q=Se and Te) are synthesized. • Y{sub 2}MoQ{sub 3}O{sub 12} contain second-order Jahn–Teller distortive cations in asymmetric environments. • The intra-octahedral distortion of the Mo{sup 6+} is influenced by the Se{sup 4+}.

  4. Diffusion of CO{sub 2} on Rutile TiO{sub 2}(110) Surface

    SciTech Connect (OSTI)

    Lee, Junseok; Sorescu, Dan C.; Deng, Xingyi; Jordan, Kenneth D.

    2011-12-15T23:59:59.000Z

    The diffusion of CO{sub 2} molecules on a reduced rutile TiO{sub 2}(110)-(1×1) surface has been investigated using scanning tunneling microscopy (STM) and density functional theory (DFT) calculations. The STM feature associated with a CO{sub 2} molecule at an oxygen vacancy (V{sub O}) becomes increasingly streaky with increasing temperature, indicating thermally activated CO{sub 2} diffusion from the V{sub O} site. From temperature-dependent tunneling current measurements, the barrier for diffusion of CO{sub 2} from the V{sub O} site is estimated to be 3.31 ± 0.23 kcal/mol. The corresponding value from the DFT calculations is 3.80 kcal/mol. In addition, the DFT calculations give a barrier for diffusion of CO{sub 2} along Ti rows of only 1.33 kcal/mol.

  5. Synthesis, crystal structure and photoluminescence of a new Eu-doped Sr containing sialon (Sr{sub 0.94}Eu{sub 0.06})(Al{sub 0.3}Si{sub 0.7}){sub 4}(N{sub 0.8}O{sub 0.2}){sub 6}

    SciTech Connect (OSTI)

    Yamane, Hisanori, E-mail: yamane@tagen.tohoku.ac.jp [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan); Shimooka, Satoshi; Uheda, Kyota [Mitsubishi Chemical Group, Science and Technology Research Center, Inc. 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-8502 (Japan)

    2012-06-15T23:59:59.000Z

    Colorless transparent platelet single crystals of a novel Eu{sup 2+}-doped strontium silicon aluminum oxynitride, (Sr{sub 0.94}Eu{sub 0.06})(Al{sub 0.3}Si{sub 0.7}){sub 4}(N{sub 0.8}O{sub 0.2}){sub 6}, were prepared at 1800 Degree-Sign C and 0.92 MPa of N{sub 2}. Fundamental reflections of electron and X-ray diffraction of the crystals were indexed with a face-centered orthorhombic unit cell (a=5.8061(5) A, b=37.762(3) A, c=9.5936(9) A). Diffuse streaks elongated in the b-axis direction were observed around the fundamental reflections hkl with h=2n+1 of the electron and X-ray diffraction, indicating stacking faults of (0 1 0)[1 0 0]/2. A crystal structure model without the stacking faults was obtained using the X-ray diffraction data of the fundamental reflections with the space group Fdd2. A SiN{sub 4}-tetrahedron double layer of [SiN{sub 2}]{sub 2} and a Sr/Eu double layer of [(Sr{sub 0.94}Eu{sub 0.06})Al{sub 1.2}Si{sub 0.8}N{sub 0.8} O{sub 1.2}]{sub 2} are stacked alternately along the b-axis direction. The title compound showed an emission with a peak wavelength of 490 nm under 334 nm excitation at room temperature. - Graphical abstract: Single crystals of a novel Eu{sup 2+}-doped strontium silicon aluminum oxynitride, (Sr{sub 0.94}Eu{sub 0.06})(Al{sub 0.3}Si{sub 0.7}){sub 4}(N{sub 0.8}O{sub 0.2}){sub 6}, having stacking faults on the (0 1 0) plane of an orthorhombic cell, were prepared at 1800 Degree-Sign C and 0.92 MPa of N{sub 2}. The compound showed emission with a peak wavelength of 490 nm under 334 nm excitation at room temperature. Highlights: Black-Right-Pointing-Pointer A new compound Eu{sup 2+}-doped (Sr{sub 0.94}Eu{sub 0.06})(Al{sub 0.3}Si{sub 0.7}){sub 4}(N{sub 0.8}O{sub 0.2}){sub 6} was prepared. Black-Right-Pointing-Pointer Stacking faults in the compound were clarified by electron and X-ray diffraction. Black-Right-Pointing-Pointer A basic crystal structure model was obtained based on the X-ray diffraction data. Black-Right-Pointing-Pointer An emission of 490 nm under 334 nm excitation at room temperature was observed.

  6. A Review of the Influence of Grain Boundary Geometry on the Electromagnetic Properties of Polycrystalline YBa<sub>2sub>Cu>3sub>O>7-xsub> Films

    SciTech Connect (OSTI)

    Feldmann, D. M. [University of Wisconsin, Madison; Holesinger, T. G. [Los Alamos National Laboratory (LANL); Feenstra, Roeland [ORNL; Larbalestier, D. C. [University of Wisconsin, Madison

    2008-01-01T23:59:59.000Z

    Shortly after the discovery of high-temperature superconducting (HTS) materials in the late 1980s, it was revealed that grain boundaries in these complex oxides are strong barriers to current flow. This fact has remained one of the most significant challenges to a viable HTS conductor, and necessitated the development of technologies capable of producing biaxially textured substrates in long lengths. Multiple studies have reported that the critical current density (J{sub c}) across grain boundaries in the perovskite-like superconductor YBa{sub 2}Cu{sub 3}O{sub 7?x} (YBCO) falls off exponentially below the intragrain J{sub c} beyond a critical misorientation angle {theta}{sub c} of only {approx} 2{sup o}-3{sup o}. Here we review our recent work demonstrating that certain grain boundary geometries permit significant enhancements of J{sub c} well beyond the conventional J{sub c}({theta}) limit, and also that the grain boundary structure in YBCO films is tied closely to the films deposition technique. Pulsed laser deposition, a physical vapor deposition technique, results in a columnar grain structure and planar grain boundaries that exhibit the typical J{sub c}({theta}) dependence. Ex situ growth processes, where the YBCO film is converted from a previously deposited precursor, can result in laminar grain growth with highly meandered grain boundaries. These latter grain boundary structures are directly correlated to greatly improved J{sub c} values over a wide range of applied magnetic fields. Consequently, very high J{sub c} values are possible in polycrystalline HTS wire even when significant misorientations between grains are present.

  7. Photodissociation of (SO{sub 2}?XH) Van der Waals complexes and clusters (XH = C{sub 2}H{sub 2}, C{sub 2}H{sub 4}, C{sub 2}H{sub 6}) excited at 32?040–32?090 cm{sup ?1} with formation of HSO{sub 2} and X

    SciTech Connect (OSTI)

    Makarov, Vladimir I. [Department of Physics, University of Puerto Rico, Rio Piedras, P.O. Box 23343, San Juan, Puerto Rico 00931-3343 (United States)] [Department of Physics, University of Puerto Rico, Rio Piedras, P.O. Box 23343, San Juan, Puerto Rico 00931-3343 (United States); Kochubei, Sergei A. [Institute of Semiconductor Physics, SB RAS, Novosibirsk 630090 (Russian Federation)] [Institute of Semiconductor Physics, SB RAS, Novosibirsk 630090 (Russian Federation); Khmelinskii, Igor [Universidade do Algarve, FCT, DQF, and CIQA, P8005-139 Faro (Portugal)] [Universidade do Algarve, FCT, DQF, and CIQA, P8005-139 Faro (Portugal)

    2014-02-07T23:59:59.000Z

    We studied photodecomposition dynamics of (SO{sub 2}?XH) Van der Waals’ (VdW) complexes and clusters in gas phase, with X = C{sub 2}H, C{sub 2}H{sub 3}, and C{sub 2}H{sub 5}. SO{sub 2} was excited by frequency-doubled radiation of a tunable dye laser and resonance-enhanced multiphoton ionization was used to detect the C{sub 2}H (m/z 25), C{sub 2}H{sub 3} (m/z 27), and C{sub 2}H{sub 5} (m/z 29) ions by time-of-flight mass spectroscopy. Spectra obtained at higher nozzle pressures (P{sub 0} > 2.5 atm) indicate formation of clusters. Detailed studies of the VdW complex structure were carried out by analyzing the rotational structure of the respective action spectra. We also performed ab initio theoretical analysis of structures of the VdW complexes and transitional states leading to photodecomposition. We find that the structure of the transition state is significantly different as compared to the equilibrium ground-state structure of the respective complex. The photodecomposition mechanism depends on the hydrocarbon molecule bound to SO{sub 2}.

  8. Electron interactions and Dirac fermions in graphene-Ge{sub 2}Sb{sub 2}Te{sub 5} superlattices

    SciTech Connect (OSTI)

    Sa, Baisheng [College of Materials, and Collaborative Innovation Center of Chemistry for Energy Materials, Xiamen University, Xiamen 361005 (China); Sun, Zhimei, E-mail: zmsun@buaa.edu.cn [School of Materials Science and Engineering, and Center for Integrated Computational Materials Engineering, International Research Institute for Multidisciplinary Science, Beihang University, Beijing 100191 (China)

    2014-06-21T23:59:59.000Z

    Graphene based superlattices have been attracted worldwide interest due to the combined properties of the graphene Dirac cone feature and all kinds of advanced functional materials. In this work, we proposed a novel series of graphene-Ge{sub 2}Sb{sub 2}Te{sub 5} superlattices based on the density functional theory calculations. We demonstrated the stability in terms of energy and lattice dynamics for such kind of artificial materials. The analysis of the electronic structures unravels the gap opening nature at Dirac cone of the insert graphene layer. The Dirac fermions in the graphene layers are strongly affected by the electron spin orbital coupling in the Ge{sub 2}Sb{sub 2}Te{sub 5} layers. The present results show the possible application in phase-change data storage of such kind of superlattice materials, where the Ge{sub 2}Sb{sub 2}Te{sub 5} layers exhibit as the phase-change data storage media and the graphene layer works as the electrode, probe, and heat conductor.

  9. On the peculiar properties of triangular-chain EuCr{sub 3}(BO{sub 3}){sub 4} antiferromagnet

    SciTech Connect (OSTI)

    Gondek, ?., E-mail: lgondek@agh.edu.pl [AGH University of Science and Technology, Faculty of Physics and Applied Computer Science, al. Mickiewicza 30, 30-059 Kraków (Poland); Szytu?a, A. [M. Smoluchowski Institute of Physics, Jagiellonian University, Reymonta 4, 30-059 Kraków (Poland); Przewo?nik, J.; ?ukrowski, J. [AGH University of Science and Technology, Faculty of Physics and Applied Computer Science, al. Mickiewicza 30, 30-059 Kraków (Poland); Prokhorov, A.; Chernush, L.; Zubov, E. [A.A. Galkin Donetsk Physico-Technical Institute, NANU, 83114 Donetsk, R. Luxembourg str. 72 (Ukraine); Dyakonov, V. [A.A. Galkin Donetsk Physico-Technical Institute, NANU, 83114 Donetsk, R. Luxembourg str. 72 (Ukraine); Institute of Physics, PAS, 02-668 Warsaw, Al. Lotników 32/46 (Poland); Duraj, R. [Institute of Physics Technical University of Cracow, Podchorazych 1, 30-084 Krakow (Poland); Tyvanchuk, Yu. [Analytical Chemistry Department, Ivan Franko National University of Lviv, Kyryla and Mephodiya 6, 79005 Lviv (Ukraine)

    2014-02-15T23:59:59.000Z

    In this paper we report studies on EuCr{sub 3}(BO{sub 3}){sub 4} compound, that is a member of newly discovered family of huntite-related specimens for non-linear optics. For the first time, the uncommon temperature dependence of the EuCr{sub 3}(BO{sub 3}){sub 4} lattice parameters is reported. Additionally, the magnetism of this compound is extremely interesting. Namely, a possible interplay in between potentially magnetic rare-earth ions and 3d metal stacked within quasi-1D chain that can lead to a great variety of magnetic behaviour. Indeed, in our studies we have found 3D-long range ordering with metamagnetic behaviour, while at higher temperature the magnetic chains become uncoupled. - Graphical abstract: Torsion-like vibrations are the key to understand negative thermal expansion along the a-axis. Display Omitted - Highlights: • EuCr{sub 3}(BO{sub 3}){sub 4} is a peculiar triangular-chain antiferromagnet. • Rare earth sublattice is non-magnetic with Eu{sup 3+} configuration. • Cr{sup 3+} magnetic moments show 1-D behaviour along with spin fluctuations. • Torsion vibrations of Cr triangular tubes lead to anomalous expansion of unit cell.

  10. BaZn{sub 2}Si{sub 2}O{sub 7} and the solid solution series BaZn{sub 2?x}Co{sub x}Si{sub 2}O{sub 7} (0

    SciTech Connect (OSTI)

    Kerstan, Marita; Thieme, Christian; Grosch, Matthias; Müller, Matthias; Rüssel, Christian, E-mail: ccr@rz.uni-jena.de

    2013-11-15T23:59:59.000Z

    For sealing of solid oxide fuel cells, glasses from which crystalline phases with high coefficient of thermal expansion (CTE) can be crystallized are required. In this paper, a new solid solution series BaZn{sub 2?x}Co{sub x}Si{sub 2}O{sub 7} (0sub 2}Si{sub 2}O{sub 7}). Sintered specimens were characterized by dilatometry. The introduction of Co{sup 2+} does not lead to a change in the space group. All compounds show a transition of a low to a high temperature modification. The attributed temperature increases from 300 °C for BaZn{sub 2}Si{sub 2}O{sub 7} to 850 °C for BaCo{sub 2}Si{sub 2}O{sub 7}. The volume expansion which runs parallel to the phase transition decreases with increasing cobalt concentration. The phase BaZn{sub 2}Si{sub 2}O{sub 7} shows the largest CTE and a steep volume effect during phase transition. For the compound BaZn{sub 0.25}Co{sub 1.75}Si{sub 2}O{sub 7} the CTE is minimum (8.6×10{sup ?6} K{sup ?1} (50–900 °C)) and increases again until for the compound BaCo{sub 2}Si{sub 2}O{sub 7} a CTE of 16.6×10{sup ?6} K{sup ?1} (50–900 °C) is reached. In the cobalt rich composition range, the CTEs are in the right range for high temperature fuel cells and can be adjusted by the composition. - Graphical abstract: The composition of the solid solution BaZn{sub 2?x}Co{sub x}Si{sub 2}O{sub 7} strongly affects the thermal expansion. Display Omitted - Highlights: • We examined the thermal expansion of solid solutions BaZn{sub 2?x}Co{sub x}Si{sub 2}O{sub 7} (0sub 2}Si{sub 2}O{sub 7} exhibits the highest thermal expansion due to a phase transition. • Substitution of small amounts of Zn{sup 2+} against Co{sup 2+} lead to decreasing thermal expansion. • The thermal expansions re-increased with further increasing Co{sup 2+} concentrations. • Seals based on these solid solutions should be suitable for solid oxide fuel cells.

  11. The emergence of magnetic properties in (Pb{sub 0.845}Sm{sub 0.08}Fe{sub 0.035})(Ti{sub 0.98}Mn{sub 0.02})O{sub 3} and (Pb{sub 0.88}Nd{sub 0.08})(Ti{sub 0.98}Mn{sub 0.02})O{sub 3} perovskite ceramics

    SciTech Connect (OSTI)

    Craciun, F. [CNR-ISC, Istituto dei Sistemi Complessi, Area della Ricerca di Roma-Tor Vergata, Via del Fosso del Cavaliere 100, I-00133 Roma (Italy); Dimitriu, E. [REGO COM Srl, Calea 13 Septembrie 115, 050716 Bucharest-5 (Romania); Grigoras, M.; Lupu, N. [National Institute of Research and Development for Technical Physics, 47 Mangeron Blvd., 700050 Iasi (Romania); Vasile, B. S. [Faculty of Applied Chemistry and Material Science, Department of Science and Engineering of Oxide Materials and Nanomaterials, University Politehnica of Bucharest, 1-7, Gh. Polizu Street, Bucharest 011061 (Romania); Cernea, M. [National Institute of Materials Physics, P.O. Box MG7, Str. Atomistilor 105 bis, Magurele-Bucharest RO-77125 (Romania)

    2014-08-21T23:59:59.000Z

    The emergence of magnetic properties and quadratic magnetoelectric coupling in a material with outstanding ferroelectric properties has been pursued. Thus, the multiferroicity driven by the substitution of rare earth R{sup 3+} ions (R?=?Sm, Nd) on the A-site of PbTiO{sub 3} perovskite ceramics has been investigated. In some samples, a transition element with large ionic radius, like Fe{sup 2+}, has been also added on the A site. Polycrystalline ceramic samples with composition (Pb{sub 1-3x/2-y}R{sub x}Fe{sub y}) (Ti{sub 0.98}Mn{sub 0.02})O{sub 3} (R?=?Sm; x?=?0.08, y?=?0.035) and (Pb{sub 1?3x/2}R{sub x})(Ti{sub 0.98}Mn{sub 0.02})O{sub 3} (R?=?Nd, x?=?0.08) have been prepared by conventional solid state ceramic processing, starting from reagent grade oxide powders. X-ray diffraction analysis confirmed the obtaining of a crystalline phase with tetragonal P4?mm symmetry. Transmission electron microscopy and high resolution transmission electron microscopy investigations have been carried out in order to analyze the local structure. Temperature dependence of dielectric permittivity revealed a strong anomaly at the temperature T{sub c} of the paraelectric-ferroelectric phase transition. Transition temperature values depend on the R ion type and are lower than in pure lead titanate by 80–100?K. A broad anomaly of dielectric permittivity is found below 140–180?K, where magnetization also increases due to the quadratic magnetoelectric coupling between ferroelectric and magnetic states. For the (Pb{sub 0.845}Sm{sub 0.08}Fe{sub 0.035})(Ti{sub 0.98}Mn{sub 0.02})O{sub 3} composition, the piezoelectric charge coefficient at room temperature was d{sub 31} ??6.5 pC/N and the remanent magnetization M{sub r} at room temperature was about 0.1?emu/g.

  12. Piezoelectricity and local structural distortions in (Na{sub 0.5}Bi{sub 0.5}){sub 1-x}Sr{sub x}TiO{sub 3}-Bi{sub 12}TiO{sub 20} flexoelectric-type polar ceramics

    SciTech Connect (OSTI)

    Wang, L. H.; Zhao, M. L.; Wang, C. L.; Wang, J.; Kuai, W. J.; Tao, X. T. [School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100 (China)

    2012-08-06T23:59:59.000Z

    We have previously described sintered Na{sub 0.5}Bi{sub 0.5}TiO{sub 3}-Bi{sub 12}TiO{sub 20} composites as flexoelectric-type polar ceramics because they have a net macroscopic flexoelectric polarization. Here, we report on the universal existence of the macroscopic flexoelectric polarization in the (Na{sub 0.5}Bi{sub 0.5}){sub 1-x}Sr{sub x}TiO{sub 3}-Bi{sub 12}TiO{sub 20} system, in which enhanced piezoelectricity is observed. By combining Raman spectroscopy and x-ray photoelectron spectroscopy techniques, we have identified the local flexoelectric polarization as distorted BiO{sub 5} polyhedra and TiO{sub 6} octahedra in the SrTiO{sub 3}-Bi{sub 12}TiO{sub 20} ceramic. The macroscopic polarization may be due to the partial alignment of these distorted units located within the grain boundary amorphous phases. Bi{sub 12}TiO{sub 20} could have an important role in these flexoelectric-type polar ceramics.

  13. Three sandglass-type molybdophosphates obtained via a new route: Synthesis and characterization of X{sub 7}[PMo{sub 8}O{sub 30}] (X=Na{sup +}, K{sup +}, NH{sub 4}{sup +})

    SciTech Connect (OSTI)

    Bai Yanchun; Liu Liping; Yan Xingjuan; Chu Wei; Zhu Yingying; Song Yuting [Department of Chemistry, School of Science, Beijing Institute of Technology, Beijing 100081 (China); Huang Rudan [Department of Chemistry, School of Science, Beijing Institute of Technology, Beijing 100081 (China)], E-mail: huangrudan1@bit.edu.cn

    2009-01-15T23:59:59.000Z

    Three new polyoxometalates X{sub 7}[PMo{sub 8}O{sub 30}] (X=Na{sup +}, 1; K{sup +}, 2; NH{sub 4}{sup +}, 3) have been synthesized with the classical Keggin and/or Dawson heteropolymolybdophosphates and PCl{sub 5} in acetonitrile-water solutions via hydrothermal treatment. The three compounds were characterized by different analyses including IR, {sup 31}P NMR spectroscopy, elemental analysis, electrochemistry, thermogravimetric analysis (TGA) and powder X-ray diffraction (XRD). Single crystal X-ray analyses were carried out on Na{sub 7}[PMo{sub 8}O{sub 30}] (1) and (NH{sub 4}){sub 7}[PMo{sub 8}O{sub 30}] (3). Compound 1 and 3 crystallize in the orthorhombic system. The structure of compound 2 was confirmed by the IR spectra and powder XRD. All the three compounds contain the same octamolybdophosphate polyoxoanion [PMo{sub 8}O{sub 30}]{sup 7-}, which consists of two Mo{sub 4}O{sub 15} moieties linked by one central PO{sub 4} tetrahedron, leading to a remarkable sandglass-like structure. - Graphical Abstract: with the Keggin and/or Dawson heteropolymolybdophosphates and PCl{sub 5} in acetonitrile-water solutions via hydrothermal treatment, three new polyoxometalates X{sub 7}[PMo{sub 8}O{sub 30}] (X=Na{sup +}, 1; K{sup +}, 2; NH{sub 4}{sup +}, 3) have been synthesized and characterized. Single crystal X-ray analyses were carried out on Na{sub 7}[PMo{sub 8}O{sub 30}] (1) and (NH{sub 4}){sub 7}[PMo{sub 8}O{sub 30}] (3). All the three compounds contain the new sandglass-like structure [PMo{sub 8}O{sub 30}]{sup 7-}.

  14. Intrinsic Rashba-like splitting in asymmetric Bi{sub 2}Te{sub 3}/Sb{sub 2}Te{sub 3} heterogeneous topological insulator films

    SciTech Connect (OSTI)

    Liu, Xiaofei; Guo, Wanlin, E-mail: wlguo@nuaa.edu.cn [State Key Laboratory of Mechanics and Control for Mechanical Structures and Key Laboratory for Intelligent Nano Materials and Devices (MOE), Nanjing University of Aeronautics and Astronautics, Nanjing 210016 (China)

    2014-08-25T23:59:59.000Z

    We show by density functional theory calculations that asymmetric hetero-stacking of Bi{sub 2}Te{sub 3}/Sb{sub 2}Te{sub 3} films can modulate the topological surface states. Due to the structure inversion asymmetry, an intrinsic Rashba-like splitting of the conical surface bands is aroused. While such splitting in homogeneous Bi{sub 2}Te{sub 3}-class topological insulators can be realized in films with more than three quintuple layers under external electric fields, the hetero-stacking breaks the limit of thickness for preserving the topological nature into the thinnest two quintuple layers. These results indicate that the hetero-stacking can serve as an efficient strategy for spin-resolved band engineering of topological insulators.

  15. W<sub>?> Production and Limits on Anomalous WW<sub>?> Couplings in pp? Collisions at ?s=1.96 TeV

    SciTech Connect (OSTI)

    Abazov, V. M.; Abbott, B.; Acharya, B. S.; Adams, M.; Adams, T.; Alexeev, G. D.; Alkhazov, G.; Alton, A.; Alverson, G.; Alves, G. A.; Aoki, M.; Arov, M.; Askew, A.; Ĺsman, B.; Atkins, S.; Atramentov, O.; Augsten, K.; Avila, C.; BackusMayes, J.; Badaud, F.; Bagby, L.; Baldin, B.; Bandurin, D. V.; Banerjee, S.; Barberis, E.; Baringer, P.; Barreto, J.; Bartlett, J. F.; Bassler, U.; Bazterra, V.; Bean, A.; Begalli, M.; Begel, M.; Belanger-Champagne, C.; Bellantoni, L.; Beri, S. B.; Bernardi, G.; Bernhard, R.; Bertram, I.; Besançon, M.; Beuselinck, R.; Bezzubov, V. A.; Bhat, P. C.; Bhatnagar, V.; Blazey, G.; Blessing, S.; Bloom, K.; Boehnlein, A.; Boline, D.; Boos, E. E.; Borissov, G.; Bose, T.; Brandt, A.; Brandt, O.; Brock, R.; Brooijmans, G.; Bross, A.; Brown, D.; Brown, J.; Bu, X. B.; Buehler, M.; Buescher, V.; Bunichev, V.; Burdin, S.; Burnett, T. H.; Buszello, C. P.; Calpas, B.; Camacho-Pérez, E.; Carrasco-Lizarraga, M. A.; Casey, B. C. K.; Castilla-Valdez, H.; Chakrabarti, S.; Chakraborty, D.; Chan, K. M.; Chandra, A.; Chapon, E.; Chen, G.; Chevalier-Théry, S.; Cho, D. K.; Cho, S. W.; Choi, S.; Choudhary, B.; Cihangir, S.; Claes, D.; Clutter, J.; Cooke, M.; Cooper, W. E.; Corcoran, M.; Couderc, F.; Cousinou, M.-C.; Croc, A.; Cutts, D.; Das, A.; Davies, G.; De, K.; de Jong, S. J.; De La Cruz-Burelo, E.; Déliot, F.; Demarteau, M.; Demina, R.; Denisov, D.; Denisov, S. P.; Desai, S.; Deterre, C.; DeVaughan, K.; Diehl, H. T.; Diesburg, M.; Ding, P. F.; Dominguez, A.; Dorland, T.; Dubey, A.; Dudko, L. V.; Duggan, D.; Duperrin, A.; Dutt, S.; Dyshkant, A.; Eads, M.; Edmunds, D.; Ellison, J.; Elvira, V. D.; Enari, Y.; Evans, H.; Evdokimov, A.; Evdokimov, V. N.; Facini, G.; Ferbel, T.; Fiedler, F.; Filthaut, F.; Fisher, W.; Fisk, H. E.; Fortner, M.; Fox, H.; Fuess, S.; Garcia-Bellido, A.; García-Guerra, G. A.; Gavrilov, V.; Gay, P.; Geng, W.; Gerbaudo, D.; Gerber, C. E.; Gershtein, Y.; Ginther, G.; Golovanov, G.; Goussiou, A.; Grannis, P. D.; Greder, S.; Greenlee, H.; Greenwood, Z. D.; Gregores, E. M.; Grenier, G.; Gris, Ph.; Grivaz, J.-F.; Grohsjean, A.; Grünendahl, S.; Grünewald, M. W.; Guillemin, T.; Gutierrez, G.; Gutierrez, P.; Haas, A.; Hagopian, S.; Haley, J.; Han, L.; Harder, K.; Harel, A.; Hauptman, J. M.; Hays, J.; Head, T.; Hebbeker, T.; Hedin, D.; Hegab, H.; Heinson, A. P.; Heintz, U.; Hensel, C.; Heredia-De La Cruz, I.; Herner, K.; Hesketh, G.; Hildreth, M. D.; Hirosky, R.; Hoang, T.; Hobbs, J. D.; Hoeneisen, B.; Hohlfeld, M.; Hubacek, Z.; Huske, N.; Hynek, V.; Iashvili, I.; Ilchenko, Y.; Illingworth, R.; Ito, A. S.; Jabeen, S.; Jaffré, M.; Jamin, D.; Jayasinghe, A.; Jesik, R.; Jiang, P.; Johns, K.; Johnson, M.; Jonckheere, A.; Jonsson, P.; Joshi, J.; Jung, A. W.; Juste, A.; Kaadze, K.; Kajfasz, E.; Karmanov, D.; Kasper, P. A.; Katsanos, I.; Kehoe, R.; Kermiche, S.; Khalatyan, N.; Khanov, A.; Kharchilava, A.; Kharzheev, Y. N.; Kohli, J. M.; Kozelov, A. V.; Kraus, J.; Kulikov, S.; Kumar, A.; Kupco, A.; Kur?a, T.; Kuzmin, V. A.; Kvita, J.; Lammers, S.; Landsberg, G.; Lebrun, P.; Lee, H. S.; Lee, S. W.; Lee, W. M.; Lellouch, J.; Li, L.; Li, Q. Z.; Lietti, S. M.; Lim, J. K.; Lincoln, D.; Linnemann, J.; Lipaev, V. V.; Lipton, R.; Liu, Y.; Lobodenko, A.; Lokajicek, M.; Lopes de Sa, R.; Lubatti, H. J.; Luna-Garcia, R.; Lyon, A. L.; Maciel, A. K. A.; Mackin, D.; Madar, R.; Magańa-Villalba, R.; Malik, S.; Malyshev, V. L.; Maravin, Y.; Martínez-Ortega, J.; McCarthy, R.; McGivern, C. L.; Meijer, M. M.; Melnitchouk, A.; Menezes, D.; Mercadante, P. G.; Merkin, M.; Meyer, A.; Meyer, J.; Miconi, F.; Mondal, N. K.; Muanza, G. S.; Mulhearn, M.; Nagy, E.; Naimuddin, M.; Narain, M.; Nayyar, R.; Neal, H. A.; Negret, J. P.; Neustroev, P.; Novaes, S. F.; Nunnemann, T.; Obrant, G.; Orduna, J.; Osman, N.; Osta, J.; Otero y Garzón, G. J.; Padilla, M.; Pal, A.; Parashar, N.; Parihar, V.; Park, S. K.; Parsons, J.; Partridge, R.; Parua, N.; Patwa, A.; Penning, B.; Perfilov, M.; Peters, K.; Peters, Y.; Petridis, K.; Petrillo, G.; Pétroff, P.; Piegaia, R.; Pleier, M.-A.; Podesta-Lerma, P. L. M.; Podstavkov, V. M.; Polozov, P.; Popov, A. V.; Prewitt, M.; Price, D.; Prokopenko, N.; Protopopescu, S.; Qian, J.; Quadt, A.; Quinn, B.; Rangel, M. S.; Ranjan, K.; Ratoff, P. N.; Razumov, I.; Renkel, P.; Rijssenbeek, M.; Ripp-Baudot, I.; Rizatdinova, F.; Rominsky, M.; Ross, A.; Royon, C.; Rubinov, P.; Ruchti, R.; Safronov, G.; Sajot, G.; Salcido, P.; Sánchez-Hernández, A.; Sanders, M. P.; Sanghi, B.; Santos, A. S.; Savage, G.; Sawyer, L.; Scanlon, T.; Schamberger, R. D.; Scheglov, Y.; Schellman, H.; Schliephake, T.; Schlobohm, S.; Schwanenberger, C.; Schwienhorst, R.; Sekaric, J.; Severini, H.; Shabalina, E.; Shary, V.; Shchukin, A. A.; Shivpuri, R. K.; Simak, V.; Sirotenko, V.; Skubic, P.; Slattery, P.; Smirnov, D.

    2011-12-01T23:59:59.000Z

    We measure the cross section and the difference in rapidities between photons and charged leptons for inclusive W(?l?)+? production in e? and ?? final states. Using data corresponding to an integrated luminosity of 4.2 fb?ą collected with the D0 detector at the Fermilab Tevatron Collider, the measured cross section times branching fraction for the process pp??W?+X?l??+X and the distribution of the charge-signed photon-lepton rapidity difference are found to be in agreement with the standard model. These results provide the most stringent limits on anomalous WW<sub>?> couplings for data from hadron colliders: -0.4sub>?><0.4 and -0.08sub>?><0.07 at the 95% C.L.

  16. Band gap engineering of In{sub 2}O{sub 3} by alloying with Tl{sub 2}O{sub 3}

    SciTech Connect (OSTI)

    Scanlon, David O., E-mail: d.scanlon@ucl.ac.uk [Kathleen Lonsdale Materials Chemistry, Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ (United Kingdom); Diamond Light Source Ltd., Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0DE (United Kingdom); Regoutz, Anna; Egdell, Russell G. [Department of Chemistry, Inorganic Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QR (United Kingdom)] [Department of Chemistry, Inorganic Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QR (United Kingdom); Morgan, David J. [Cardiff Catalysis Institute (CCI), School of Chemistry, Cardiff University, Park Place, Cardiff CF10 3AT (United Kingdom)] [Cardiff Catalysis Institute (CCI), School of Chemistry, Cardiff University, Park Place, Cardiff CF10 3AT (United Kingdom); Watson, Graeme W. [School of Chemistry and CRANN, Trinity College Dublin, Dublin 2 (Ireland)] [School of Chemistry and CRANN, Trinity College Dublin, Dublin 2 (Ireland)

    2013-12-23T23:59:59.000Z

    Efficient modulation of the bandgap of In{sub 2}O{sub 3} will open up a route to improved electronic properties. We demonstrate using ab initio calculations that Tl incorporation into In{sub 2}O{sub 3} reduces the band gap and confirm that narrowing of the gap is observed by X-ray photoemission spectroscopy on ceramic surfaces. Incorporation of Tl does not break the symmetry of the allowed optical transitions, meaning that the doped thin films should retain optical transparency in the visible region, in combination with a lowering of the conduction band effective mass. We propose that Tl-doping may be an efficient way to increase the dopability and carrier mobility of In{sub 2}O{sub 3}.

  17. Branching ratios from B{sub s} and {Lambda}{sub b}{sup 0}

    SciTech Connect (OSTI)

    Matthew S. Martin

    2004-05-28T23:59:59.000Z

    CDF Run II relative branching ratio measurements for 65 pb{sup -1} of data in the channels B{sub s} {yields} D{sub s}{sup {-+}}{pi}{sup {-+}}, {Lambda} {sub b}{sup 0} {yields} {Lambda}{sub c}{sup {+-}}{pi}{sup {-+}} and B {yields} h{sup +}h{sup -} are presented. Further, an observation of B{sub s} {yields} K{sup {+-}} K{sup {-+}} and a measurement of A{sub CP} are presented.

  18. Superconductivity in textured Bi clusters/Bi{sub 2}Te{sub 3} films

    SciTech Connect (OSTI)

    Le, Phuoc Huu [Department of Materials Science and Engineering, National Chiao Tung University, Hsinchu 30049, Taiwan (China); Faculty of Basic Sciences, Can Tho University of Medicine and Pharmacy, 179 Nguyen Van Cu Street, Can Tho (Viet Nam); Tzeng, Wen-Yen; Chen, Hsueh-Ju; Luo, Chih Wei, E-mail: cwluo@mail.nctu.edu.tw [Department of Electrophysics, National Chiao Tung University, Hsinchu 300, Taiwan (China); Lin, Jiunn-Yuan [Institute of Physics, National Chiao Tung University, Hsinchu 300, Taiwan (China); Leu, Jihperng, E-mail: jimleu@mail.nctu.edu.tw [Department of Materials Science and Engineering, National Chiao Tung University, Hsinchu 30049, Taiwan (China)

    2014-09-01T23:59:59.000Z

    We report superconductivity at an onset critical temperature below 3.1 K in topological insulator ?200-nm-thick Bi{sub 2}Te{sub 3} thin films grown by pulsed laser deposition. Using energy-dispersive X-ray spectroscopy elemental mapping and Auger electron spectroscopy elemental depth profiling, we clearly identified bismuth (Bi) precipitation and Bi cluster signatures. Superconductivity in the Bi{sub 2}Te{sub 3} films was attributed to the proximity effect of Bi clusters precipitated on the surface of the Bi{sub 2}Te{sub 3} films.

  19. 1-D and 2-D homoleptic dicyanamide structures, [Ph{sub 4}P]{sub 2}{Co{sup II}[N(CN){sub 2}]{sub 4}} and [Ph{sub 4}P]{M[N(CN){sub 2}]{sub 3}} (M = Mn, Co).

    SciTech Connect (OSTI)

    Raebiger, J. W.; Manson, J. L.; Sommer, R. D.; Geiser, U.; Rheingold, A. L.; Miller, J. S.; Materials Science Division; Univ. of Utah; Univ. of Delaware

    2001-05-21T23:59:59.000Z

    The homoleptic complexes [Ph{sub 4}P]{sub 2}{l_brace}Co[N(CN){sub 2}]{sub 4}{r_brace} and [Ph{sub 4}P]{l_brace}M[N(CN){sub 2}]{sub 3}{r_brace} [ M = Co, Mn] have been structurally as well as magnetically characterized. The complexes containing {l_brace}M[N(CN){sub 2}]{sub 4}{r_brace}{sup 2-} form 1-D chains, which are bridged via a common dicyanamide ligand in {l_brace}M[N(CN){sub 2}]{sub 3}{r_brace}{sup -} to form a 2-D structure. The five-atom [NCNCN]{sup -} ligands lead to a {sup 4}T{sub 1g} ground state for Co(II) which has an unquenched spin-orbit coupling that is reflected in the magnetic properties. Long-range magnetic ordering was not observed in any of these materials.

  20. Technical bases for the use of CIF{sub 3} in the MSRE reactive gas removal project at Oak Ridge National Laboratory, Oak Ridge, Tennessee

    SciTech Connect (OSTI)

    Trowbridge, L.D.

    1997-06-01T23:59:59.000Z

    Nearly impermeable, non-volatile deposits in the Molten Salt Reactor Experiment (MSRE) off-gas piping are impeding the removal of reactive gases from that system. The deposits almost certainly consist of reduced uranium fluorides or of uranium oxyfluorides. Treatment with ClF{sub 3} is a non-intrusive method capable of chemically converting these compounds back to UF{sub 6}, which can then be removed as a gas. This report discusses the technical bases for the use of ClF{sub 3} treatments in this system. A variety of issues are examined, and where the necessary information exists or has been developed, the resolution discussed. The more important of these issues include the efficacy of ClF{sub 3} at deposit removal under the conditions imposed by the MSRE system, materials compatibility of ClF{sub 3} and its reaction products, and operational differences in the Reactive Gas Removal System imposed by the presence of ClF{sub 3} and its products.

  1. Advanced Low Energy Enzyme Catalyzed Solvent for CO{sub 2} Capture

    SciTech Connect (OSTI)

    Zaks, Alex; Reardon, John

    2013-09-30T23:59:59.000Z

    A proof-of-concept biocatalyst enhanced solvent process was developed and demonstrated in an integrated bench-scale system using coal post combustion flue gas. The biocatalyst was deployed as a coating on M500X structured packing. Rate enhancement was evaluated using a non-volatile and non- toxic 20 wt% potassium carbonate solution. Greater than 500-fold volumetric scale-up from laboratory to bench scale was demonstrated in this project. Key technical achievements included: 10-fold mass transfer enhancement demonstrated in laboratory testing relative to blank potassium carbonate at 45°C; ~ 7-fold enhancement over blank in bench-scale field testing at National Carbon Capture Center; aerosol emissions were below detection limits (< 0.8 ppm); 90% capture was demonstrated at ~19.5 Nm{sup 3}/hr (dry basis); and ~ 80% CO{sub 2} capture was demonstrated at ~ 30 Nm{sup 3}/hr (dry basis) for more than 2800-hrs on flue gas with minimal detectible decline in activity. The regeneration energy requirement was 3.5 GJ/t CO{sub 2} for this solvent, which was below the target of <2.1 GJ/t CO{sub 2}. Bench unit testing revealed kinetic limitations in the un-catalyzed stripper at around 85°C, but process modeling based on bench unit data showed that equivalent work of less than 300 kWh/t CO{sub 2} including all CO{sub 2} compression can be achieved at lower temperature stripping conditions. Cost analysis showed that 20% potassium carbonate in a basic solvent flow sheet with biocatalyst coated packing has economic performance comparable to the reference NETL Case-12, 30% MEA. A detailed techno-economic analysis indicated that addition of catalyst in the stripper could reduce the cost of capture by ~6% and cost of avoided CO{sub 2} by ~10% below reference NETL Case-12. Based on these results, a directional plan was identified to reduce the cost of CO{sub 2} capture in future work.

  2. Simultaneous presence of (Si{sub 3}O{sub 10}){sup 8?} and (Si{sub 2}O{sub 7}){sup 6?} groups in new synthetic mixed sorosilicates: BaY{sub 4}(Si{sub 2}O{sub 7})(Si{sub 3}O{sub 10}) and isotypic compounds, studied by single-crystal X-ray diffraction, Raman spectroscopy and DFT calculations

    SciTech Connect (OSTI)

    Wierzbicka-Wieczorek, Maria, E-mail: maria.wierzbicka-wieczorek@uni-jena.de [Institut für Geowissenschaften, Friedrich-Schiller-Universität Jena, Carl-Zeiss-Promenade 10, D-07745 Jena (Germany); Többens, Daniel M. [Abteilung Kristallographie, Helmholtz-Zentrum Berlin, Hahn-Meitner-Platz 1, D-14109 Berlin (Germany); Kolitsch, Uwe [Mineralogisch-Petrographische Abt., Naturhistorisches Museum, Burgring 7, A-1010 Wien (Austria); Institut für Mineralogie und Kristallographie, Universität Wien, Geozentrum, Althanstraße 14, A-1090 Wien (Austria); Tillmanns, Ekkehart [Institut für Mineralogie und Kristallographie, Universität Wien, Geozentrum, Althanstraße 14, A-1090 Wien (Austria)

    2013-11-15T23:59:59.000Z

    Three new, isotypic silicate compounds, BaY{sub 4}(Si{sub 2}O{sub 7})(Si{sub 3}O{sub 10}), SrYb{sub 4}(Si{sub 2}O{sub 7})(Si{sub 3}O{sub 10}) and SrSc{sub 4}(Si{sub 2}O{sub 7})(Si{sub 3}O{sub 10}), were synthesized using high-temperature flux growth techniques, and their crystal structures were solved from single-crystal X-ray intensity data: monoclinic, P2{sub 1}/m, with a=5.532(1)/5.469(1)/5.278(1), b=19.734(4)/19.447(4)/19.221(4), c=6.868(1)/6.785(1)/6.562(1) Ĺ, ?=106.53(3)/106.20(3)/106.50(3)°, V=718.8(2)/693.0(2)/638.3(2) Ĺ{sup 3}, R(F)=0.0225/0.0204/0.0270, respectively. The topology of the novel structure type contains isolated horseshoe-shaped Si{sub 3}O{sub 10} groups (Si–Si–Si=93.15–95.98°), Si{sub 2}O{sub 7} groups (Si–O{sub bridge}–Si=180°, symmetry-restricted) and edge-sharing M(1)O{sub 6} and M(2)O{sub 6} octahedra. Single-crystal Raman spectra of the title compounds were measured and compared with Raman spectroscopic data of chemically and topologically related disilicates and trisilicates, including BaY{sub 2}(Si{sub 3}O{sub 10}) and SrY{sub 2}(Si{sub 3}O{sub 10}). The band assignments are supported by additional theoretical calculation of Raman vibrations by DFT methods. - Graphical abstract: View of BaY{sub 4}(Si{sub 2}O{sub 7})(Si{sub 3}O{sub 10}) along [100], showing zigzag chains and the tri- and disilicate groups. The unit cell is outlined. Display Omitted - Highlights: • We report a novel interesting crystal structure type for mixed sorosilicates containing Y, Yb, and Sc. • Synthesis of such mixed sorosilicates is possible by a high-temperature flux-growth technique. • Calculation of Raman vibrations by advanced DFT methods allows a considerably improved interpretation of measured Raman spectra.

  3. Synthesis of Bi{sub 1.8}Pb{sub 0.4}Sr{sub 2}Ca{sub 2}Cu{sub 3}O{sub x} superconductor

    DOE Patents [OSTI]

    Smith, M.G.

    1996-10-29T23:59:59.000Z

    Two-powder processes for the synthesis of superconducting (Bi, Pb)-2223/Ag-clad wires by the oxide-powder-in-the-robe are provided. The first precursor powder, of nominal stoichiometry CaCuO{sub x}, is a solution-synthesized mixture of Ca{sub 0.45}Cu{sub 0.55}O{sub 2} and CaO. Using these oxide precursor mixtures, superconducting tapes with well-aligned grains and reproducible critical current densities J{sub c} in the range of 20,000 to 26,000 A/cm{sup 2} at 75 K in self-field after annealing less than 200 hours were obtained. 2 figs.

  4. A new strategy to diminish the 4 V voltage plateau of LiNi{sub 0.5}Mn{sub 1.5}O{sub 4}

    SciTech Connect (OSTI)

    Liu, Guoqiang, E-mail: liugq@smm.neu.edu.cn; Zhang, Lingxi; Sun, Lu; Wang, Lun

    2013-11-15T23:59:59.000Z

    Graphical abstract: The annealed sample LiNi{sub 0.5}Mn{sub 1.5}O{sub 4} cannot eliminate the 4-V voltage plateau completely. The Mg-doped compound LiNi{sub 0.5}Mn{sub 1.45}Mg{sub 0.05}O{sub 4} can effectively diminish the 4 V voltage plateau during charge and discharge process. - Highlights: • Mg-doped compound LiNi{sub 0.5}Mn{sub 1.45}Mg{sub 0.05}O{sub 4} was prepared. • The 4 V voltage plateau in the charge–discharge curves of LiNi{sub 0.5}Mn{sub 1.45}Mg{sub 0.05}O{sub 4} was diminished. • Compound LiNi{sub 0.5}Mn{sub 1.45}Mg{sub 0.05}O{sub 4} exhibited good electrochemical properties. - Abstract: As for spinel LiNi{sub 0.5}Mn{sub 1.5}O{sub 4}, there is 4 V voltage plateau in the charge–discharge profiles. This voltage plateau can be reduced by an annealing process, however it is hard to avoid it completely. In this study, a new strategy of partial substitution for Mn by Mg is applied. There is no 4 V voltage plateau in the charge–discharge profiles of Mg-doped compound LiNi{sub 0.5}Mn{sub 1.45}Mg{sub 0.05}O{sub 4}. This compound exhibits good electrochemical properties which can be used as cathode material of lithium ion batteries. At 1 C rate, it can deliver a capacity of around 129 mAh g{sup ?1} and remain good cycle performance.

  5. Study on the Ge{sub 1?x}Sn{sub x}/HfO{sub 2} interface and its impacts on Ge{sub 1?x}Sn{sub x} tunneling transistor

    SciTech Connect (OSTI)

    Qiu, Yingxin; Wang, Runsheng, E-mail: ruhuang@pku.edu.cn, E-mail: r.wang@pku.edu.cn; Huang, Qianqian; Huang, Ru, E-mail: ruhuang@pku.edu.cn, E-mail: r.wang@pku.edu.cn [Key Laboratory of Microelectronic Devices and Circuits, Institute of Microelectronics, Peking University, Beijing 100871 (China)

    2014-06-21T23:59:59.000Z

    In this paper, we employ first-principle calculation to investigate the Ge{sub 1?x}Sn{sub x}/HfO{sub 2} interface, and then evaluate its impacts on Ge{sub 1?x}Sn{sub x} tunneling field-effect transistor (TFET). First-principle calculations of Ge{sub 1?x}Sn{sub x}/HfO{sub 2} interfaces in the oxygen-rich process atmosphere indicate that the interface states originate from the Ge and Sn dangling bond, rather than Hf-bond. The total density of state shows that there are more interface states in the semiconductor bandgap with increasing Sn fraction. By further incorporating the material and interface parameters from density functional theory calculation into advanced device simulation, the electrical characteristics of Ge{sub 1?x}Sn{sub x} TFET are investigated. Removing the Sn atom from the first atom layer of Ge{sub 1?x}Sn{sub x} in device processes is found to be beneficial to reduce the degradations. For the degradation mechanisms, the trap-assisted-tunneling is the dominant mechanism at the low Sn fraction, and enhanced Shockley-Read-Hall recombination induced by traps becomes the dominant mechanism with increasing Sn fraction. The results are helpful for the interface optimization of Ge{sub 1?x}Sn{sub x} TFET.

  6. Preparation of a heteroepitaxial La{sub x}Sr{sub y}Mn{sub z}O{sub 3}/BiFeO{sub 3} bilayer by r.f. magnetron sputtering with various oxygen gas flow ratios

    SciTech Connect (OSTI)

    Naganuma, H., E-mail: naganuma@mlab.apph.tohoku.ac.jp; Ichinose, T.; Begum, H. A.; Sato, S.; Oogane, M.; Ando, Y. [Department of Applied Physics, Graduate School of Engineering, Tohoku University, Sendai 980-8579 (Japan); Han, X. F. [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Miyazaki, T. [Group of Communication Engineering, Graduate School of Engineering, Tohoku University, Sendai 980-8579 (Japan); Bae, In-T. [Small Scale Systems Integration and Packaging Center, State University of New York at Binghamton, Binghamton, NY 13902 (United States)

    2014-08-15T23:59:59.000Z

    BiFeO{sub 3} (BFO) and La{sub x}Sr{sub y}Mn{sub z}O{sub 3} (LSMO) films were epitaxially grown on SrTiO{sub 3} (100) substrates by r.f. magnetron sputtering with various oxygen gas flow ratios (F{sub O2}). Compositional ratios of each atom in both of BFO and LSMO could be controlled kept to around 10 at.% by changing F{sub O2}. Adjusting the compositional ratio to La{sub 0.35}Sr{sub 0.15}Mn{sub 0.5}O{sub 3} not only increase T{sub c} of LSMO but also produces sufficient oxygen to form a perovskite lattice. For an LSMO/BFO heterostructure, detailed observation by cross sectional transmission electron microscopy (TEM) revealed that the lattice of rhombohedral (SG: R-3c) LSMO was shrank by a clamping effect from the SrTiO{sub 3} substrates, and then the BFO was grown in two layers: (i) an interfacial BFO layer (7 nm thick) with evenly shrunk a-axis and c-axis, and (ii) an upper BFO layer (25 nm thick) expanded along the c-axis. Neither misfit strain nor dislocations appeared at the interface between the shrunken BFO and LSMO layers, and these heterostructures did not show exchange bias. These results suggest that BFO is suitable for a tunneling barrier combine with LSMO electrode.

  7. Structural and conductivity studies of CsK(SO{sub 4}){sub 0.32}(SeO{sub 4}){sub 0.68}Te(OH){sub 6}

    SciTech Connect (OSTI)

    Djemel, M., E-mail: jmal_manel@yahoo.fr [Laboratoire de Chimie Inorganique, Universite de Sfax, Faculte des Sciences de Sfax, BP 1171, 3000 Sfax (Tunisia); Abdelhedi, M., E-mail: m_abdelhedi2002@yahoo.fr [Laboratoire de Chimie Inorganique, Universite de Sfax, Faculte des Sciences de Sfax, BP 1171, 3000 Sfax (Tunisia); Laboratoire Leon Brouillon, CE/Saclay, 91191 Gif-Sur-Yvette Cedex (France); Zouari, N., E-mail: bizrirl@yahoo.fr [Laboratoire de l'Etat solide, Universite de Sfax, Faculte des Sciences de Sfax, BP 1171, 3000 Sfax (Tunisia); Dammak, M., E-mail: meddammak@yahoo.fr [Laboratoire de Chimie Inorganique, Universite de Sfax, Faculte des Sciences de Sfax, BP 1171, 3000 Sfax (Tunisia); Kolsi, A.W., E-mail: kolsi_abdelhwaheb@yahoo.fr [Laboratoire de Chimie Inorganique, Universite de Sfax, Faculte des Sciences de Sfax, BP 1171, 3000 Sfax (Tunisia)

    2012-12-15T23:59:59.000Z

    The compound CsK(SO{sub 4}){sub 0.32}(SeO{sub 4}){sub 0.68}Te(OH){sub 6} crystallizes in the monoclinic P2{sub 1}/n space group. It was analyzed, at room temperature, using X-ray diffractometer data. The main feature of these atomic arrangements is the coexistence of three and different anions (SO{sub 4}{sup 2-}, SeO{sub 4}{sup 2-} and TeO{sub 6}{sup 6-}groups) in the unit cell, connected by hydrogen bonds which make the building of the crystal. The thermal analysis of the title compound shows three distinct endothermal peaks at 435, 460 and 475 K. Complex impedance measurements are performed on this material as a function of both temperature and frequency. The electric conduction has been studied. The temperature dependence on the conductivity indicates that the sample became an ionic conductor at high temperature. - Graphical abstract: Projection of crystal structure CsK(SO{sub 4}){sub 0.32}(SeO{sub 4}){sub 0.68}Te(OH){sub 6} on the ab plane. Highlights: Black-Right-Pointing-Pointer We have studied the results of the crystal structure of the new mixed compound. Black-Right-Pointing-Pointer We have characterized the phase transition observed in DSC curve. Black-Right-Pointing-Pointer The protonic conduction in our material is probably due to a hopping mechanism.

  8. Magneto-transport in LaTi{sub 1?x}Mn{sub x}O{sub 3}/SrTiO{sub 3} oxide heterostructures

    SciTech Connect (OSTI)

    Kumar, Pramod, E-mail: pramodnpl2011@gmail.com; Dogra, Anjana, E-mail: pramodnpl2011@gmail.com; Budhani, R. C., E-mail: pramodnpl2011@gmail.com [Quantum Phenomena and Applications Division, National Physical Laboratory (CSIR), Dr. K.S. Krishnan Marg, New Delhi-110012 (India)

    2014-04-24T23:59:59.000Z

    We report the growth of ultrathin film of Mn doped LaTiO{sub 3} on TiO{sub 2} terminated SrTiO{sub 3} (001) substrate by pulsed laser deposition (PLD) and their electrical transport characteristics including magnetoresistance (MR). Though the replacement of Mn in LaTiO{sub 3} at the Ti site in dilute limit does not affect the metallic behaviour of films but variation in resistance is observed. Normalised resistance behaviour is explained on the basis of variation in charge carriers and increased interaction between Mn atoms in the system under investigation.

  9. Photorefractive properties of Ce- and Ca-doped Sr/sub 0. 6/Ba/sub 0. 4/Nb/sub 2/O/sub 6/

    SciTech Connect (OSTI)

    Rakuljic, G.A.; Sayano, K.; Agranat, A.; Yariv, A.; Neurgaonkar, R.R.

    1988-10-17T23:59:59.000Z

    We present the results of experimental study of the absorption coefficient, two-beam photorefractive coupling constant, and photorefractive response time of a doubly Ce- and Ca-doped Sr/sub 0.6/Ba/sub 0.4/Nb/sub 2/O/sub 6/. This crystal displays enhanced photorefractive response at near infrared wavelengths when compared to Ce-doped SBN:60. The temperature dependence of the coupling constant over the range from -30 to 40 /sup 0/C has also been studied.

  10. Top Quark Production Asymmetries A<sub>FB>t and A<sub>FB>l

    SciTech Connect (OSTI)

    Berger, Edmond L.; Cao, Qing-Hong; Chen, Chuan-Ren; Yu, Jiang-Hao; Zhang, Hao

    2012-02-01T23:59:59.000Z

    A large forward-backward asymmetry is seen in both the top quark rapidity distribution A<sub>FB>t and in the rapidity distribution of charged leptons A<sub>FB>l from top quarks produced at the Tevatron. We study the kinematic and dynamic aspects of the relationship of the two observables arising from the spin correlation between the charged lepton and the top quark with different polarization states. We emphasize the value of both measurements, and we conclude that a new physics model which produces more right-handed than left-handed top quarks is favored by the present data.

  11. An analysis of lead-free (Bi{sub 0.5}Na{sub 0.5}){sub 0.915}-(Bi{sub 0.5}K{sub 0.5}){sub 0.05}Ba{sub 0.02}Sr{sub 0.015}TiO{sub 3} ceramic for efficient refrigeration and thermal energy harvesting

    SciTech Connect (OSTI)

    Vats, Gaurav; Vaish, Rahul, E-mail: rahul@iitmandi.ac.in [School of Engineering, Indian Institute of Technology Mandi, Himachal Pradesh 175 001 (India); Bowen, Chris R. [Department of Mechanical Engineering, Materials Research Centre, University of Bath, Bath BA2 7AY (United Kingdom)

    2014-01-07T23:59:59.000Z

    This article demonstrates the colossal energy harvesting capability of a lead-free (Bi{sub 0.5}Na{sub 0.5}){sub 0.915}-(Bi{sub 0.5}K{sub 0.5}){sub 0.05}Ba{sub 0.02}Sr{sub 0.015}TiO{sub 3} ceramic using the Olsen cycle. The maximum harvestable energy density estimated for this system is found to be 1523?J/L (1523?kJ/m{sup 3}) where the results are presented for extreme ambient conditions of 20–160?°C and electric fields of 0.1–4 MV/m. This estimated energy density is 1.7 times higher than the maximum reported to date for the lanthanum-doped lead zirconate titanate (thin film) system. Moreover, this study introduces a generalized and effective solid state refrigeration cycle in contrast to the ferroelectric Ericson refrigeration cycle. The cycle is based on a temperature induced polarization change on application of an unipolar electric field to ferroelectric ceramics.

  12. Giant magnetoresistance due to magnetoelectric currents in Sr{sub 3}Co{sub 2}Fe{sub 24}O{sub 41} hexaferrites

    SciTech Connect (OSTI)

    Wang, Xian [Department of Electrical and Computer Engineering, Center for Microwave Magnetic Materials and Integrated Circuits, Northeastern University, Boston, Massachusetts 02115 (United States); School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan 430074 (China); Su, Zhijuan; Sokolov, Alexander; Hu, Bolin; Andalib, Parisa; Chen, Yajie, E-mail: y.chen@neu.edu; Harris, Vincent G. [Department of Electrical and Computer Engineering, Center for Microwave Magnetic Materials and Integrated Circuits, Northeastern University, Boston, Massachusetts 02115 (United States)

    2014-09-15T23:59:59.000Z

    The giant magnetoresistance and magnetoelectric (ME) effects of Z-type hexaferrite Sr{sub 3}Co{sub 2}Fe{sub 24}O{sub 41} were investigated. The present experiments indicated that an induced magnetoelectric current in a transverse conical spin structure not only presented a nonlinear behavior with magnetic field and electric field but also depended upon a sweep rate of the applied magnetic field. More interestingly, the ME current induced magnetoresistance was measured, yielding a giant room temperature magnetoresistance of 32.2% measured at low magnetic fields (?125?Oe). These results reveal great potential for emerging applications of multifunctional magnetoelectric ferrite materials.

  13. Biotechnology Adoption in Sub-Saharan Africa

    E-Print Network [OSTI]

    Midling, Michael B

    2011-01-01T23:59:59.000Z

    Nigeria lacks Berkeley Undergraduate Journal: Volume 24, Issue 3 Biotechnology Adoption in Sub-Saharan Africa Michael Baihua Midling regular energy,

  14. Crystal structure and chemistry of a complex indium phosphate framework material, (ethylenediammonium)In{sub 3}P{sub 3}O{sub 12}(OH){sub 2}

    SciTech Connect (OSTI)

    Broach, Robert W., E-mail: robert.broach@uop.com [UOP, a Honeywell Co., 50 E. Algonquin Rd., Des Plaines, IL 60017 (United States); Bedard, Robert L. [UOP, a Honeywell Co., 50 E. Algonquin Rd., Des Plaines, IL 60017 (United States)] [UOP, a Honeywell Co., 50 E. Algonquin Rd., Des Plaines, IL 60017 (United States); King, Lisa M., E-mail: lisa.king@uop.com [UOP, a Honeywell Co., 50 E. Algonquin Rd., Des Plaines, IL 60017 (United States); Pluth, Joseph J., E-mail: pluth@cars.uchicago.edu [The University of Chicago, Department of the Geophysical Sciences, Consortium for Advanced Radiation Sources, Chicago, IL 60637 (United States); The University of Chicago, The Materials Research Science and Engineering Center, Chicago, IL 60637 (United States); Smith, Joseph V. [The University of Chicago, Department of the Geophysical Sciences, Consortium for Advanced Radiation Sources, Chicago, IL 60637 (United States)] [The University of Chicago, Department of the Geophysical Sciences, Consortium for Advanced Radiation Sources, Chicago, IL 60637 (United States); Kirchner, Richard M., E-mail: richard.kirchner@manhattan.edu [Manhattan College, Chemistry Department, Bronx, NY 10471 (United States)

    2012-12-15T23:59:59.000Z

    The chemistry and structure of a novel indium phosphate material (RIPS-4), (H{sub 3}NCH{sub 2}CH{sub 2}NH{sub 3})In{sub 3}-P{sub 3}O{sub 12}(OH){sub 2}, are described. RIPS-4 was synthesized using ethylene diamine as a structure-directing organic agent. The X-ray crystal structure was determined from a 12 Multiplication-Sign 12 Multiplication-Sign 42 {mu}m{sup 3} crystal in space group C2/m with a=18.662(4) A, b=6.600(2) A, c=12.573(3) A and {beta}=120.92(1) Degree-Sign . The structure consists of a complex edge- and vertex-shared open framework of InO{sub 6} octahedra and PO{sub 4} tetrahedra enclosing cavities occupied by ethylenediamonium ions. One set of octahedra share opposing edges to form chains along the b-axis matching the structural unit in rutile (TiO{sub 2}). This rutile edge-shared chain has its projecting oxygen atoms shared with the vertexes of either a PO{sub 4} tetrahedron or a second type of InO{sub 6} octahedron. The O atoms are 2-connected, each to one In and one P, except for two protonated O atoms (hydroxyl groups) that connect to two and three In atoms, giving three- and four-coordinate O atoms, respectively. - Graphical abstract: The unique topology contains an unusual 4-connected oxygen atom (O{sub 1}) in a complex edge- and vertex-shared open framework of InO{sub 6} octahedra (blue) and PO{sub 4} tetrahedra (yellow) that encloses cavities occupied by ethylenediammonium ions. Highlights: Black-Right-Pointing-Pointer The structure has a unique open-framework topology. Black-Right-Pointing-Pointer The framework contains an unusual 4-connected oxygen atom. Black-Right-Pointing-Pointer Hydrogen bonds hold the ethylenediammonium ions in the cavities.

  15. Bulk modulus and specific heat of B-site doped (La{sub 0.3}Pr{sub 0.7}){sub 0.65}Ca{sub 0.35}Mn{sub 1?x}B{sub x}O{sub 3} (B=Fe, Cr, Ru, Al, Ga)

    SciTech Connect (OSTI)

    Srivastava, Archana, E-mail: archanasaran01@gmail.com [Department of Physics, Sri Sathya Sai College for Women, Bhopal-462024 (India); Thakur, Rasna; Gaur, N. K. [Department of Physics, Barkatullah University, Bhopal-462026 (India)

    2014-04-24T23:59:59.000Z

    Specific heat (C{sub p}) thermal expansion (?) and Bulk modulus (B{sub T}) of lightly doped Rare Earth manganites (La{sub 0.3}Pr{sub 0.7}){sub 0.65}Ca{sub 0.35}Mn{sub 1?x}B{sub x}O{sub 3} (B{sup 3+}?=?Fe{sup 3+},Cr{sup 3+},Ga{sup 3+},Al{sup 3+},Ru4+); (0.3sub p}){sub lat} of (La{sub 0.3}Pr{sub 0.7}){sub 0.65}Ca{sub 0.35}Mn{sub 0.97}Fe{sub 0.03}O{sub 3} as a function of temperature (10K?T? 200K) is found to be in agreement with the published data. The trend of variation of Debye temperature with B-site cationic radius is predicted probably for the first time for the B-site doped rare earth manganites.

  16. Crystal structure of Mn{sub 2}Ln{sub 3}Sb{sub 3}O{sub 14} (Ln=La, Pr and Nd): A new ordered rhombohedral pyrochlore

    SciTech Connect (OSTI)

    Fu, W.T., E-mail: w.fu@chem.leidenuniv.nl; IJdo, D.J.W.

    2014-05-01T23:59:59.000Z

    Manganese rare earth antimonates with the formula Mn{sub 2}Ln{sub 3}Sb{sub 3}O{sub 14} (Ln=La–Yb and Y) have been prepared and their structures were determined by the Rietveld method using X-ray diffraction data. The compounds with Ln=La, Pr and Nd crystallize in a rhombohedral supercell of the cubic fluorite with the space group R3{sup Ż}m and with the lattice parameters a{sub h}??2a{sub c} and c{sub h}?2?3a{sub c}, where a{sub c} denotes the lattice constant of the cubic fluorite. The structure is pyrochlore-like but differs from the common cubic pyrochlore A{sub 2}B{sub 2}O{sub 7} in that it consists of fully ordered Mn:Ln in the A sites and Mn:Sb in the B sites with the ratio 1:3. The most interesting feature of Mn{sub 2}Ln{sub 3}Sb{sub 3}O{sub 14} is that the divalent Mn ions have different coordination numbers with oxygen and the Mn(II)O{sub 6} (octahedron) and Mn(II)O{sub 8} (hexagonal bipyramid) alternate along the parent cubic fluorite axes. For medium sized lanthanides, i.e. from Ln=Sm, the rhombohedral phase coexists with the cubic phase and Mn{sub 2}Y{sub 3}Sb{sub 3}O{sub 14} is cubic a pyrochlore. - Graphical abstract: Crystal structure of rhombohedral pyrochlore Mn{sub 2}Ln{sub 3}Sb{sub 3}O{sub 14} (Ln=La, Pr, and Nd) showing the staking of Ln{sub 3}Mn and MnSb{sub 3} layers (a). (b) and (c) show the connections between Mn1O{sub 6} and LnO{sub 8} and between Mn2O{sub 8} and SbO{sub 6} polyhedra, respectively. - Highlights: • Pyrochlores of the formula Mn{sub 2}Ln{sub 3}Sb{sub 3}O{sub 14} (Ln=La–Yb and Y) were synthesized for the first time. • Mn{sub 2}Ln{sub 3}Sb{sub 3}O{sub 14} with Ln=La, Pr, Nd are rhombohedral consisting of fully 1:3 ordering of metal ions. • With medium-sized Ln, rhombohedral phase co-exists with cubic phase. • Two divalent Mn ions have coordination numbers of 6 and 8, respectively.

  17. Spin–glass transition in La{sub 0.75}Sr{sub 0.25}Mn{sub 0.5}Cr{sub 0.5?x}Al{sub x}O{sub 3??} perovskites

    SciTech Connect (OSTI)

    Azad, Abul K., E-mail: aka7@st-andrews.ac.uk [School of Chemistry, University of St. Andrews, Fife KY16 9ST (United Kingdom); Sanchez-Benitez, Javier [Centre for Science at Extreme Conditions, University of Edinburgh, Erskine Building, Edinburgh EH9 3JZ (United Kingdom); Irvine, John T.S. [School of Chemistry, University of St. Andrews, Fife KY16 9ST (United Kingdom)

    2013-07-15T23:59:59.000Z

    Graphical abstract: In-phase and out-of-phase ac susceptibility measurements at the magnetic field 1000 Oe show the shifting of transition temperature with frequency (i.e. spin–glass transition) in La{sub 0.75}Sr{sub 0.25}Mn{sub 0.5}Cr{sub 0.3}Al{sub 0.2}O{sub 3??}. - Highlights: • Spin–glass transition at low temperature (around 50 K). • Al-doping decreases the antiferromagnetic transition temperature. • Ferromagnetic around room temperature. - Abstract: The structural and magnetic properties of the Al-doped La{sub 0.75}Sr{sub 0.25}Mn{sub 0.5}Cr{sub 0.5?x}Al{sub x}O{sub 3??} (x = 0.0, 0.1, 0.2, 0.3) were investigated by X-ray powder diffraction, neutron powder diffraction and magnetization measurements. Rietveld refinement of the diffraction data confirms that the compounds crystallize in rhombohedral symmetry (space group, R-3C). Unit cell volume decreases with increasing concentration of Al at the B-site. Upon cooling from room temperature, we have observed multiple magnetic phase transitions, i.e. paramagnetic (PM), ferromagnetic (FM), antiferromagnetic (AFM) and spin–glass (SG), in the samples. A low temperature magnetic hysteresis study demonstrates the presence of ferromagnetic domains for all compositions. The antiferromagnetic transition temperature decreases with the Al-doping AC susceptibility measurements at 97 Hz and 1 Oe show SG behaviors with a spin-freezing temperature close to 50 K for all samples. The in-phase ac susceptibility (?{sup /}) decreases in magnitude and spin–glass transition (T{sub SG}) increase toward higher temperature with increasing frequency. The spin–glass behavior accompanied by the anomalous magnetic transitions is due to the competing interactions between FM and AFM. The results also shows that a part of the samples lose magnetic order to form a SG state accompanied by an AFM state at low temperature.

  18. Exploration on anion ordering, optical properties and electronic structure in K{sub 3}WO{sub 3}F{sub 3} elpasolite

    SciTech Connect (OSTI)

    Atuchin, V.V. [Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk 630090 (Russian Federation); Isaenko, L.I. [Laboratory of Crystal Growth, Institute of Geology and Mineralogy, SB RAS, Novosibirsk 630090 (Russian Federation); Kesler, V.G. [Laboratory of Physical Principles for Integrated Microelectronics, Institute of Semiconductor Physics, Novosibirsk 630090 (Russian Federation); Lin, Z.S., E-mail: zslin@mail.ipc.ac.cn [Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, P.O. Box 2711, Beijing 100190 (China); Molokeev, M.S. [Laboratory of Crystal Physics, Institute of Physics, SB RAS, Krasnoyarsk 660036 (Russian Federation); Yelisseyev, A.P.; Zhurkov, S.A. [Laboratory of Crystal Growth, Institute of Geology and Mineralogy, SB RAS, Novosibirsk 630090 (Russian Federation)

    2012-03-15T23:59:59.000Z

    Room-temperature modification of potassium oxyfluorotungstate, G2-K{sub 3}WO{sub 3}F{sub 3}, has been prepared by low-temperature chemical route and single crystal growth. Wide optical transparency range of 0.3-9.4 {mu}m and forbidden band gap E{sub g}=4.32 eV have been obtained for G2-K{sub 3}WO{sub 3}F{sub 3} crystal. Meanwhile, its electronic structure has been calculated with the first-principles calculations. The good agreement between the theorectical and experimental results have been achieved. Furthermore, G2-K{sub 3}WO{sub 3}F{sub 3} is predicted to possess the relatively large nonlinear optical coefficients. - Graphical abstract: Using the cm-size K{sub 3}WO{sub 3}F{sub 3} crystal (left upper), the transmission spectrum (right upper) and XPS valence electronic states (left lower) were measured, agreed with the ab initio results (right lower). Highlights: Black-Right-Pointing-Pointer The cm-size G2-K{sub 3}WO{sub 3}F{sub 3} single crystals are obtained. Black-Right-Pointing-Pointer Optical absorption edge and transmission range are defined for G2-K{sub 3}WO{sub 3}F{sub 3} crystal. Black-Right-Pointing-Pointer Crystal structures of all known K{sub 3}WO{sub 3}F{sub 3} polymorph modifications are determined. Black-Right-Pointing-Pointer Experimental electronic structure is consistent with the first-principles result. Black-Right-Pointing-Pointer G2-K{sub 3}WO{sub 3}F{sub 3} is predicted as a crystal with large NLO coefficients.

  19. A partonic interpretation of DVCS at small x{sub B{sub j}}

    SciTech Connect (OSTI)

    Kumericki, Kresimir [Department of Physics, University of Zagreb, P.O.B. 331, HR-10002 Zagreb (Croatia); Mueller, Dieter [Institut fuer Theoretische Physik II, Ruhr-Universitaet Bochum, D-44780 Bochum (Germany); Passek-Kumericki, Kornelija [Theoretical Physics Division, Rudjer Boskovic Institute, P.O.B. 180, HR-10002 Zagreb (Croatia)

    2009-03-23T23:59:59.000Z

    We describe small-X{sub B{sub j}} deeply virtual Compton scattering measurements at HERA in terms of generalized parton distributions at leading order of perturbation series.

  20. Factorized power expansion for high-p<sub>T> heavy quarkonium production

    SciTech Connect (OSTI)

    Ma, Yan-Qing [Brookhaven National Laboratory, Physics Department, Upton, NY (United States); Qiu, Jian-Wei [Brookhaven National Laboratory, Physics Department, Upton, NY (United States); Stony Brook University, C.N. Yang Institute for Theoretical Physics, Department of Physics and Astronomy, Stony Brook, NY (United States); Sterman, George [Stony Brook University, C.N. Yang Institute for Theoretical Physics, Department of Physics and Astronomy, Stony Brook, NY (United States); Zhang, Hong [Stony Brook University, Department of Physics and Astronomy, Stony Brook, NY (United States)

    2014-10-01T23:59:59.000Z

    We show that when the factorized cross section for heavy quarkonium production includes next-to-leading power contributions associated with the production of the heavy quark pair at short distances, it naturally reproduces all high p<sub>T> results calculated in nonrelativistic QCD (NRQCD) factorization. This extended formalism requires fragmentation functions for heavy quark pairs, as well as for light partons. When these fragmentation functions are themselves calculated using NRQCD, we find that two of the four leading NRQCD production channels, łS[1]<sub>1sub> and ąS[8]<sub>0sub>, are dominated by the next-to-leading power contributions for a very wide p<sub>T> range. The large next-to-leading order corrections of NRQCD are absorbed into the leading order of the first power correction. The impact of this finding on heavy quarkonium production and its polarization is discussed.

  1. Influence of H{sub 2}O{sub 2} on LPG fuel performance evaluation

    SciTech Connect (OSTI)

    Khan, Muhammad Saad, E-mail: iqbalmouj@gmail.com; Ahmed, Iqbal, E-mail: iqbalmouj@gmail.com; Mutalib, Mohammad Ibrahim bin Abdul, E-mail: iqbalmouj@gmail.com; Nadeem, Saad, E-mail: iqbalmouj@gmail.com; Ali, Shahid, E-mail: iqbalmouj@gmail.com [Department of Chemical Engineering, Faculty of Engineering, Universiti Teknologi PETRONAS, Bandar Seri Iskandar, 31750 Tronoh, Perak (Malaysia)

    2014-10-24T23:59:59.000Z

    The objective of this mode of combustion is to insertion of hydrogen peroxide (H{sub 2}O{sub 2}) to the Liquefied Petroleum Gas (LPG) combustion on spark plug ignition engines. The addition of hydrogen peroxide may probably decrease the formation of NO{sub x}, CO{sub x} and unburned hydrocarbons. Hypothetically, Studies have shown that addition of hydrogen peroxide to examine the performance of LPG/H{sub 2}O{sub 2} mixture in numerous volumetric compositions starting from lean LPG until obtaining a better composition can reduce the LPG fuel consumption. The theory behind this idea is that, the addition of H{sub 2}O{sub 2} can cover the lean operation limit, increase the lean burn ability, diminution the burn duration along with controlling the exhaust emission by significantly reducing the greenhouse gaseous.

  2. Yb:(YLa){sub 2}O{sub 3} laser ceramics produced by microwave sintering

    SciTech Connect (OSTI)

    Balabanov, S S; Bykov, Yu V; Egorov, S V; Eremeev, A G; Gavrishchuk, E M; Khazanov, Efim A; Mukhin, I B; Palashov, O V; Permin, D A; Zelenogorskii, V V

    2013-04-30T23:59:59.000Z

    The possibility of using microwave heating for sintering of optical oxide ceramics and the advantages of this method are considered. Sintering of Yb{sub 0.1}:(YLa){sub 1.9}O{sub 3} ceramics by heating with 24-GHz radiation is studied. The compacts for sintering are prepared from nanosized powders obtained by high-temperature synthesis from acetate-nitrates of rare-earth metals. The effect of addition of lanthanum oxide and of the uniaxial pressing conditions on the microstructure and optical transmission of ceramics is studied. Lasing at a wavelength of 1030 nm with an efficiency of 7.5 % is achieved in ceramic samples of the (Yb{sub 0.05}Y{sub 0.1}La{sub 0.85}){sub 2}O{sub 3} composition under pumping by a laser diode at a wavelength of 940 nm. (extreme light fields and their applications)

  3. A comparative study of magnetic behaviors in TbNi{sub 2}, TbMn{sub 2} and TbNi{sub 2}Mn

    SciTech Connect (OSTI)

    Wang, J. L., E-mail: jianli@uow.edu.au [Institute for Superconductivity and Electronic Materials, University of Wollongong, Wollongong, NSW 2522 (Australia); Bragg Institute, ANSTO, Lucas Heights, NSW 2234 (Australia); Md Din, M. F.; Hong, F.; Cheng, Z. X.; Dou, S. X. [Institute for Superconductivity and Electronic Materials, University of Wollongong, Wollongong, NSW 2522 (Australia); Kennedy, S. J.; Studer, A. J. [Bragg Institute, ANSTO, Lucas Heights, NSW 2234 (Australia); Campbell, S. J. [School of Physical, Environmental and Mathematical Sciences, The University of New South Wales, Canberra, ACT 2600 (Australia); Wu, G. H. [Institute of Physics, Chinese Academy of Science, Beijing 100190 (China)

    2014-05-07T23:59:59.000Z

    All TbNi{sub 2}, TbMn{sub 2}, and TbNi{sub 2}Mn compounds exhibit the cubic Laves phase with AB{sub 2}-type structure in spite of the fact that the ratio of the Tb to transition-metal components in TbNi{sub 2}Mn is 1:3. Rietveld refinement indicates that in TbNi{sub 2}Mn the Mn atoms are distributed on both the A (8a) and B (16d) sites. The values of the lattice constants were measured to be a?=?14.348?Ĺ (space group F-43?m), 7.618?Ĺ, and 7.158?Ĺ (space group Fd-3?m) for TbNi{sub 2}, TbMn{sub 2}, and TbNi{sub 2}Mn, respectively. The magnetic transition temperatures T{sub C} were found to be T{sub C}?=?38?K and T{sub C}?=?148?K for TbNi{sub 2} and TbNi{sub 2}Mn, respectively, while two magnetic phase transitions are detected for TbMn{sub 2} at T{sub 1}?=?20?K and T{sub 2}?=?49?K. Clear magnetic history effects in a low magnetic field are observed in TbMn{sub 2} and TbNi{sub 2}Mn. The magnetic entropy changes have been obtained.

  4. Removal of arsenic from effluents - a comparison between the FeSO{sub 4}/Air and FeSO{sub 4}/H{sub 2}O{sub 2} systems

    SciTech Connect (OSTI)

    Teixeira, L.A.; Kohler, H.M. [Catholic Univ. of Rio de Janeiro (Brazil); [Peroxidos do Brasil Ltda, S. Paulo (Brazil); Kohler, H.M. [Catholic Univ. of Rio de Janeiro (Brazil); Monteiro, A.G. [BHP Minerals, Reno, NV (United States)

    1996-12-31T23:59:59.000Z

    This paper reports the results of kinetic studies involving the precipitation of arsenic from aqueous solutions as FeAsO{sub 4} / Fe(OH){sub 3}, using FeSO{sub 4} as source of Fe ions, and Air or H{sub 2}O{sub 2} as oxidizing agents. Both systems lead to an efficient removal of arsenic. The differences in oxidants performances are in the precipitation reaction rate - much faster using hydrogen peroxide. Mechanisms of reactions were suggested based on the following main steps: Fe(II) oxidation: 2 Fe{sup 2+} + 1/2 O{sub 2} + 2 H{sup +} 2 Fe{sup 3+} + H{sub 2}O 2 Fe{sup 2+} + H{sub 2}O{sub 2} + 2 H{sup +}= 2 Fe{sup 3+} + 2 H{sub 2}O As(III) oxidation: HAsO{sub 2} + 2 Fe {sup 3+} + 2 H{sub 2}O = 2 Fe{sup 2+} + H{sub 3}AsO{sub 4} + 2H{sup +} HAsO{sub 2} + H{sub 2}O{sub 2} = H{sub 3}ASO{sub 4} Precipitation: Fe{sup 3+} + H{sub 3}AsO{sub 4} = FeASO{sub 4} (s) + 3 H{sup +} H{sub 3}AsO{sub 4} + n Fe(OH){sub 3} (s) = H{sub 3}ASO{sub 4} (ads) [Fe(OH){sub 3}]{sub n} (s). 15 refs., 7 figs.

  5. Electronic transport transition at graphene/YBa{sub 2}Cu{sub 3}O{sub 7??} junction

    SciTech Connect (OSTI)

    Sun, Q. J.; Wang, H. S. [School of Physics and Electronics, Central South University, Changsha 410083 (China) [School of Physics and Electronics, Central South University, Changsha 410083 (China); State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050 (China); Wang, H. M., E-mail: hmwang@mail.sim.ac.cn; Gao, B.; Li, Q.; Xie, X. M. [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050 (China)] [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050 (China); Deng, L. W.; Hu, Z. W. [School of Physics and Electronics, Central South University, Changsha 410083 (China)] [School of Physics and Electronics, Central South University, Changsha 410083 (China)

    2014-03-10T23:59:59.000Z

    We report the fabrication of graphene/YBa{sub 2}Cu{sub 3}O{sub 7??} contacts and their superconducting proximity effect. Both the temperature dependence of resistance and the current bias dependence of resistance for the contacts are investigated, respectively. The results are compared with that of pure YBCO Hall bar. It is found that the differential resistance transits from a non-zero value to zero at high bias across graphene/YBCO junction below the transition temperature of YBCO, the phenomena indicate the tunneling of Cooper pairs from YBCO to graphene. As the YBCO film deposited by pulsed laser deposition has a rough surface, the graphene layer can contact with the edge of CuO{sub 2} planes. It allows that Cooper pairs could leak into graphene along the CuO{sub 2} planes.

  6. Crystal structure, magnetism and transport properties of Ce{sub 3}Ni{sub 25.75}Ru{sub 3.16}Al{sub 4.1}B{sub 10}

    SciTech Connect (OSTI)

    Janka, Oliver [Department of Chemistry, University of California, One Shields Ave, Davis, CA 95616 (United States); Baumbach, Ryan E.; Thompson, Joe D. [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Bauer, Eric D., E-mail: edbauer@lanl.gov [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Kauzlarich, Susan M., E-mail: smkauzlarich@ucdavis.edu [Department of Chemistry, University of California, One Shields Ave, Davis, CA 95616 (United States)

    2013-09-15T23:59:59.000Z

    Single crystals of Ce{sub 3}Ni{sub 25.75}Ru{sub 3.16}Al{sub 4.1}B{sub 10} were obtained from a process in which a polycrystalline sample of CeRu{sub 2}Al{sub 2}B was annealed in an excess of a Ni–In flux. The initial phase, CeRu{sub 2}Al{sub 2}B, does not recrystallize, instead, crystals of a new phase, Ce{sub 3}Ni{sub 25.75}Ru{sub 3.16}Al{sub 4.1}B{sub 10}, could be isolated once the flux was removed. The title compound crystallizes in the tetragonal space group P4/nmm (No. 129) with a=1139.02(8), c=801.68(6) pm (c/a=0.70) in the Nd{sub 3}Ni{sub 29}Si{sub 4}B{sub 10} structure type. Electrical resistivity measurements reveal metallic behavior with a minimum of 700 µ? cm and a small residual resistivity ratio of RRR=1.4 indicating a large amount of disorder scattering. The cerium atoms are either in the 4+ or an intermediate valence state with a valence fluctuation temperature far above room temperature. - Graphical abstract: Single crystals of Ce{sub 3}Ni{sub 25.75}Ru{sub 3.16}A{sub l4.1}B{sub 10} were obtained using a process in which a polycrystalline sample of CeRu{sub 2}Al{sub 2}B was annealed in an excess of a Ni–In flux. Electrical resistivity measurements reveal metallic behavior with a minimum of 700 ?? cm and a small residual resistivity ratio of RRR=1.4 indicating a large amount of disorder scattering. The cerium atoms are either in the 4+ or an intermediate valence state with a valence fluctuation temperature far above room temperature. Display Omitted - Highlights: • Flux synthesis of high quality single crystals of Ce{sub 3}Ni{sub 25.75}Ru{sub 3.16}Al{sub 4.1}B{sub 10} is presented along with the crystal structure, magnetic and transport properties. • The compound is isostructural to Nd{sub 3}Ni{sub 29}Si{sub 4}B{sub 10} but is first of this structure type showing mixed occupancies of d-elements. • This is an intermetallic phase with Ce in either the 4+ or an intermediate valence state. • The fact that this structure with mixed occupied transition metal sites exists suggests that more compounds of this type should be accessible and the physical properties tuned.

  7. CO<sub>2sub> Hydrate: Synthesis, Composition, Structure, Dissociation Behavior, and a Comparison to Structure I CH<sub>4sub> Hydrate

    SciTech Connect (OSTI)

    Circone, S. [U.S. Geological Survey, Menlo Park, CA; Stern, Laura A. [U.S. Geological Survey, Menlo Park, CA; Kirby, Stephen H. [U.S. Geological Survey, Menlo Park, CA; Durham, william B. [U.S. Geological Survey, Menlo Park, CA; Chakoumakos, Bryan C [ORNL; Rawn, Claudia J [ORNL; Rondinone, Adam Justin [ORNL; Ishii, Yoshinobu [Japan Atomic Energy Agency (JAEA)

    2003-01-01T23:59:59.000Z

    Structure I (sI) carbon dioxide (CO{sub 2}) hydrate exhibits markedly different dissociation behavior from sI methane (CH{sub 4}) hydrate in experiments in which equilibrated samples at 0.1 MPa are heated isobarically at 13 K/h from 210 K through the H{sub 2}O melting point (273.15 K). The CO{sub 2} hydrate samples release only about 3% of their gas content up to temperatures of 240 K, which is 22 K above the hydrate phase boundary. Up to 20% is released by 270 K, and the remaining CO{sub 2} is released at 271.0 {+-} 0.5 K, where the sample temperature is buffered until hydrate dissociation ceases. This reproducible buffering temperature for the dissociation reaction CO{sub 2}{center_dot}nH{sub 2}O = CO{sub 2}(g) + nH{sub 2}O(l to s) is measurably distinct from the pure H{sub 2}O melting point at 273.15 K, which is reached as gas evolution ceases. In contrast, when sI CH{sub 4} hydrate is heated at the same rate at 0.1 MPa, >95% of the gas is released within 25 K of the equilibrium temperature (193 K at 0.1 MPa). In conjunction with the dissociation study, a method for efficient and reproducible synthesis of pure polycrystalline CO{sub 2} hydrate with suitable characteristics for material properties testing was developed, and the material was characterized. CO{sub 2} hydrate was synthesized from CO{sub 2} liquid and H{sub 2}O solid and liquid reactants at pressures between 5 and 25 MPa and temperatures between 250 and 281 K. Scanning electron microscopy (SEM) examination indicates that the samples consist of dense crystalline hydrate and 50--300 {mu}m diameter pores that are lined with euhedral cubic hydrate crystals. Deuterated hydrate samples made by this same procedure were analyzed by neutron diffraction at temperatures between 4 and 215 K; results confirm that complete conversion of water to hydrate has occurred and that the measured unit cell parameter and thermal expansion are consistent with previously reported values. On the basis of measured weight gain after synthesis and gas yields from the dissociation experiments, approximately all cages in the hydrate structure are filled such that n {approx} 5.75.

  8. Synthesis and characterization by sup 1 H, sup 13 C, and sup 19 F NMR spectroscopy of (CH sub 3 CN) sub n (CO) sub 4 minus n (NO)W(. mu. -F)BF sub 3 and ((CH sub 3 CN) sub n+1 (CO) sub 4 minus n (NO)W)(BF sub 4 )(n = 0 minus 2), tungsten mononitrosyl carbonyl cations with labile acetonitrile and ((. mu. -F)BF sub 3 ) sup minus ligands

    SciTech Connect (OSTI)

    Hersh, W.H. (Univ. of California, Los Angeles (USA))

    1990-02-21T23:59:59.000Z

    Addition of (NO)(BF{sub 4}) to CH{sub 3}CNW(CO){sub 5} in CH{sub 2}Cl{sub 2} gives a mixture of five mononitrosyl compounds, mer-(cis-CH{sub 3}CN)(trans-NO)(CO){sub 3}W({mu}-F)BF{sub 3} (1), (mer,cis-(CH{sub 3}CN){sub 2}W(CO){sub 3}(NO))(BF{sub 4}) (2a), cis,cis,trans-(CH{sub 3}CN){sub 2}(CO){sub 2}(NO)W({mu}-F)BF{sub 3} (3), (fac-(CH{sub 3}CN){sub 3} W(CO){sub 2}(NO))(BF){sub 4} (4a), and trans-(NO)(CO){sub 4}W({mu}-F)BF{sub 3} (5); in a typical experiment the yield is 90%, and the ratio 1:2a:3:4a:5 is 47:14:11:1:27. Support for the identities of 1-5 is obtained by reaction of the mixture with Me{sub 3}P, giving (mer-(cis-CH{sub 3}CN)(trans-Me{sub 3}P)W(CO){sub 3}(NO))(BF{sub 4}) (7a), (cis,cis,trans-(CH{sub 3}CN){sub 2}(CO){sub 2}(NO)W(PMe{sub 3}))(BF{sub 4}) (8a), (trans-Me{sub 3}P(CO){sub 4}WNO)(BF{sub 4}) (9), and the previously reported compound (mer,cis-(Me{sub 3}P){sub 2}W(CO){sub 3}(NO))(BF{sub 4}) (10a). The reaction mixtures are analyzed by IR and {sup 1}H, {sup 13}C, and {sup 19}F NMR spectroscopy. In particular, the {sup 13}C NMR spectrum exhibits quintets for the carbonyl ligands of 1,3, 5 due to a dynamic spinning process of the (({mu}-F)BF{sub 3}){sup {minus}} ligand, and the {sup 19}F NMR spectrum exhibits doublets for the terminal fluorine atoms (which are further separated into {sup 10}B and {sup 11}B isotopomers) near {minus}153 ppM and quartets for the bridging fluorine atoms from {minus}203 to {minus}238 ppM. Independent synthesis and isolation in good yield of 2b-c, 4a-d, 7b-c, and 8b (where the anions for a-d are (BF{sub 4}){sup {minus}}, (SbF{sub 6}){sup {minus}}, ((C{sub 6}H{sub 5}){sub 4}B){sup {minus}}, and (PF{sub 6}){sup {minus}}{sup {minus}}, respectively) are described, as are the independent synthesis and spectroscopic characterization of 3, 5, and 6. 4 figs., 1 tab.

  9. Full differentiation and assignment of boron species in the electrolytes Li{sub 2}B{sub 6}O{sub 9}F{sub 2} and Li{sub 2}B{sub 3}O{sub 4}F{sub 3} by solid-state {sup 11}B NMR spectroscopy

    SciTech Connect (OSTI)

    Braeuniger, Thomas, E-mail: T.Braeuniger@fkf.mpg.de [Max Planck Institute for Solid State Research, Heisenbergstrasse 1, 70569 Stuttgart (Germany)] [Max Planck Institute for Solid State Research, Heisenbergstrasse 1, 70569 Stuttgart (Germany); Pilz, Thomas; Chandran, C. Vinod; Jansen, Martin [Max Planck Institute for Solid State Research, Heisenbergstrasse 1, 70569 Stuttgart (Germany)] [Max Planck Institute for Solid State Research, Heisenbergstrasse 1, 70569 Stuttgart (Germany)

    2012-10-15T23:59:59.000Z

    The syntheses of two new fluorooxoborates, Li{sub 2}B{sub 3}O{sub 4}F{sub 3} and Li{sub 2}B{sub 6}O{sub 9}F{sub 2}, which possess considerable ion conductivity at higher temperatures, have been reported recently. Here, we describe the characterisation of these compounds by solid-state {sup 11}B NMR spectroscopy. The complex central-transition MAS spectra, resulting from overlap of sub-spectra contributed by the individual boron species in the crystal structures, could be clearly separated by acquisition and analysis of 3QMAS spectra. By numerical fit of these sub-spectra, the isotropic chemical shift {delta}{sub iso}, the quadrupolar coupling constant {chi}, and the asymmetry {eta} were determined. Using known relations between boron coordination and chemical shift as well as quadrupolar coupling, the individual {sup 11}B NMR resonances have been ascribed to boron species in tetrahedral or trigonal environment. To remove remaining assignment ambiguities, the response of the {sup 11}B resonances to {sup 19}F decoupling was qualitatively analysed. Thus, by using the combined information conveyed by chemical shift, quadrupolar and dipolar interaction, a complete assignment of the complex {sup 11}B line shapes exhibited by the fluorooxoborates has been achieved. - Graphical abstract: Structure and solid-state {sup 11}B NMR spectrum of Li{sub 2}B{sub 3}O{sub 4}F{sub 3}. Highlights: Black-Right-Pointing-Pointer Characterisation of title compounds by solid-state {sup 11}B NMR spectroscopy. Black-Right-Pointing-Pointer Sub-spectra of boron species separated by evaluation of 3QMAS spectra. Black-Right-Pointing-Pointer Isotropic chemical shift and quadrupolar interaction parameters determined. Black-Right-Pointing-Pointer Full boron assignment based on NMR parameters and response to {sup 19}F decoupling.

  10. Sub-continuumThermal Simulationsof Deep Sub-MicronDevices under ESD Conditions

    E-Print Network [OSTI]

    approaching failure levels at sub-critical currents because of higher self-heating and thermal impedance

  11. Doped Y.sub.2O.sub.3 buffer layers for laminated conductors

    DOE Patents [OSTI]

    Paranthaman, Mariappan Parans (Knoxville, TN) [Knoxville, TN; Schoop, Urs (Westborough, MA) [Westborough, MA; Goyal, Amit (Knoxville, TN) [Knoxville, TN; Thieme, Cornelis Leo Hans (Westborough, MA) [Westborough, MA; Verebelyi, Darren T. (Oxford, MA) [Oxford, MA; Rupich, Martin W. (Framingham, MA) [Framingham, MA

    2007-08-21T23:59:59.000Z

    A laminated conductor includes a metallic substrate having a surface, a biaxially textured buffer layer supported by the surface of the metallic substrate, the biaxially textured buffer layer comprising Y.sub.2O.sub.3 and a dopant for blocking cation diffusion through the Y.sub.2O.sub.3, and a biaxially textured conductor layer supported by the biaxially textured buffer layer.

  12. Platinum enhanced textured growth of grain-aligned YBa[sub 2]Cu[sub 3]O[sub 7[minus][ital x

    SciTech Connect (OSTI)

    Wegmann, M.R.; Lewis, J.A. (Science and Technology Center for Superconductivity, and the Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (United States)); Platt, C.E. (Science and Technology Center for Superconductivity, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (United States))

    1994-05-15T23:59:59.000Z

    The effects of magnetic alignment, heat treatment, and substrate interactions on the microstructural development and properties of YBa[sub 2]Cu[sub 3]O[sub 7[minus][ital x

  13. Improvement of magnetic and structural stabilities in high-quality Co{sub 2}FeSi{sub 1?x}Al{sub x}/Si heterointerfaces

    SciTech Connect (OSTI)

    Yamada, S., E-mail: yamada@ee.es.osaka-u.ac.jp [Graduate School of Engineering Science, Osaka University, Toyonaka 560-8531 (Japan); Tanikawa, K.; Oki, S.; Kawano, M.; Miyao, M. [Department of Electronics, Kyushu University, 744 Motooka, Fukuoka 819-0395 (Japan); Hamaya, K. [Graduate School of Engineering Science, Osaka University, Toyonaka 560-8531 (Japan); CREST, Japan Science and Technology Agency, Gobancho, Tokyo 102-0075 (Japan)

    2014-08-18T23:59:59.000Z

    We study high-quality Co{sub 2}FeSi{sub 1?x}Al{sub x} Heusler compound/Si (0 ? x ? 1) heterointerfaces for silicon (Si)-based spintronic applications. In thermal treatment conditions, the magnetic and structural stabilities of the Co{sub 2}FeSi{sub 1?x}Al{sub x}/Si heterointerfaces are improved with increasing x in Co{sub 2}FeSi{sub 1?x}Al{sub x}. Compared with L2{sub 1}-ordered Co{sub 2}FeSi/Si, B2-ordered Co{sub 2}FeAl/Si can suppress the diffusion of Si atoms into the Heusler-compound structure. This experimental study will provide an important knowledge for applications in Si-based spin transistors with metallic source/drain contacts.

  14. Local structure and disorder in crystalline Pb{sub 9}Al{sub 8}O{sub 21}

    SciTech Connect (OSTI)

    Hannon, Alex C. [ISIS Facility, Rutherford Appleton Laboratory, Chilton, Didcot, Oxon OX11 0QX (United Kingdom)], E-mail: a.c.hannon@rl.ac.uk; Barney, Emma R.; Holland, Diane [Department of Physics, University of Warwick, Coventry CV4 7AL (United Kingdom); Knight, Kevin S. [ISIS Facility, Rutherford Appleton Laboratory, Chilton, Didcot, Oxon OX11 0QX (United Kingdom)

    2008-05-15T23:59:59.000Z

    Crystalline Pb{sub 9}Al{sub 8}O{sub 21} is a model compound for the structure of non-linear optical glasses containing lone-pair ions, and its structure has been investigated by neutron powder diffraction and total scattering, and {sup 27}Al magic angle spinning NMR. Rietveld analysis (space group Pa3-bar (No. 205), a=13.25221(4) A) shows that some of the Pb and O sites have partial occupancies, due to lead volatilisation during sample preparation, and the non-stoichiometric sample composition is Pb{sub 9-{delta}}Al{sub 8}O{sub 21-{delta}} with {delta}=0.54. The NMR measurements show evidence for a correlation between the chemical shift and the variance of the bond angles at the aluminium sites. The neutron total correlation function shows that the true average Al-O bond length is 0.8% longer than the apparent bond length determined by Rietveld refinement. The thermal variation in bond length is much smaller than the thermal variation in longer interatomic distances determined by Rietveld refinement. The total correlation function is consistent with an interpretation in which AlO{sub 3} groups with an Al-O bond length of 1.651 A occur as a result of the oxygen vacancies in the structure. The width of the tetrahedral Al-O peak in the correlation function for the crystal is very similar to that for lead aluminate glass, indicating that the extent of static disorder is very similar in the two phases. - Graphical abstract: Combined neutron powder diffraction and total scattering, and {sup 27}Al NMR on crystalline Pb{sub 9}Al{sub 8}O{sub 21} shows it to be a non-stoichiometric compound with vacancies due to PbO volatilisation. A detailed consideration of the thermal and static disorder is given, showing that glass and crystal phases have very similar disorder at short range.

  15. CF[sub 3] chemistry: Potential implications for stratospheric ozone

    SciTech Connect (OSTI)

    Ko, M.K.W.; Sze, N.D.; Rodriguez, J.M.; Weistenstein, D.K.; Heisey, C.W. (Atmospheric and Environmental Research, Inc., Cambridge, MA (United States)); Wayne, R.P.; Biggs, P.; Canosa-Mas, C.E. (Univ. of Oxford, Oxford (United Kingdom)); Sidebottom, H.W.; Treacy, J. (Univ. College, Dublin (Ireland))

    1994-01-15T23:59:59.000Z

    The authors address questions about the chemistry of CF[sub 3] bearing compounds in the atmosphere, and the impact that the existence of and reaction rate constants for such species may have on stratospheric ozone. Species considered include CF[sub 3], CF[sub 3]O, CF[sub 3]O[sub 2], CF[sub 3]OH, CF[sub 3]OOH, CF[sub 3]ONO[sub 2], CF[sub 3]O[sub 2]NO[sub 2], and CF[sub 3]OOCl. Based on their calculational results, the authors suggest a number of experimental measurements which should substantially decrease uncertainties associated with the role of CF[sub 3] species in atmospheric chemistry related to ozone.

  16. Measurement of the CP-violating phase ?<sub>s>J/?? using the flavor-tagged decay B<sub>s>0?J/ ?? in 8 fb?ą of pp? collisions

    SciTech Connect (OSTI)

    Abazov, V. M.; Abbott, B.; Acharya, B. S.; Adams, M.; Adams, T.; Alexeev, G. D.; Alkhazov, G.; Alton, A.; Alverson, G.; Alves, G. A.; Aoki, M.; Arov, M.; Askew, A.; Ĺsman, B.; Atkins, S.; Atramentov, O.; Augsten, K.; Avila, C.; BackusMayes, J.; Badaud, F.; Bagby, L.; Baldin, B.; Bandurin, D. V.; Banerjee, S.; Barberis, E.; Baringer, P.; Barreto, J.; Bartlett, J. F.; Bassler, U.; Bazterra, V.; Bean, A.; Begalli, M.; Begel, M.; Belanger-Champagne, C.; Bellantoni, L.; Beri, S. B.; Bernardi, G.; Bernhard, R.; Bertram, I.; Besançon, M.; Beuselinck, R.; Bezzubov, V. A.; Bhat, P. C.; Bhatnagar, V.; Blazey, G.; Blessing, S.; Bloom, K.; Boehnlein, A.; Boline, D.; Boos, E. E.; Borissov, G.; Bose, T.; Brandt, A.; Brandt, O.; Brock, R.; Brooijmans, G.; Bross, A.; Brown, D.; Brown, J.; Bu, X. B.; Buehler, M.; Buescher, V.; Bunichev, V.; Burdin, S.; Burnett, T. H.; Buszello, C. P.; Calpas, B.; Camacho-Pérez, E.; Carrasco-Lizarraga, M. A.; Casey, B. C. K.; Castilla-Valdez, H.; Chakrabarti, S.; Chakraborty, D.; Chan, K. M.; Chandra, A.; Chapon, E.; Chen, G.; Chevalier-Théry, S.; Cho, D. K.; Cho, S. W.; Choi, S.; Choudhary, B.; Cihangir, S.; Claes, D.; Clutter, J.; Cooke, M.; Cooper, W. E.; Corcoran, M.; Couderc, F.; Cousinou, M.-C.; Croc, A.; Cutts, D.; Das, A.; Davies, G.; De, K.; de Jong, S. J.; De La Cruz-Burelo, E.; Déliot, F.; Demarteau, M.; Demina, R.; Denisov, D.; Denisov, S. P.; Desai, S.; Deterre, C.; DeVaughan, K.; Diehl, H. T.; Diesburg, M.; Ding, P. F.; Dominguez, A.; Dorland, T.; Dubey, A.; Dudko, L. V.; Duggan, D.; Duperrin, A.; Dutt, S.; Dyshkant, A.; Eads, M.; Edmunds, D.; Ellison, J.; Elvira, V. D.; Enari, Y.; Evans, H.; Evdokimov, A.; Evdokimov, V. N.; Facini, G.; Ferbel, T.; Fiedler, F.; Filthaut, F.; Fisher, W.; Fisk, H. E.; Fortner, M.; Fox, H.; Fuess, S.; Garcia-Bellido, A.; García-Guerra, G. A.; Gavrilov, V.; Gay, P.; Geng, W.; Gerbaudo, D.; Gerber, C. E.; Gershtein, Y.; Ginther, G.; Golovanov, G.; Goussiou, A.; Grannis, P. D.; Greder, S.; Greenlee, H.; Greenwood, Z. D.; Gregores, E. M.; Grenier, G.; Gris, Ph.; Grivaz, J.-F.; Grohsjean, A.; Grünendahl, S.; Grünewald, M. W.; Guillemin, T.; Gutierrez, G.; Gutierrez, P.; Haas, A.; Hagopian, S.; Haley, J.; Han, L.; Harder, K.; Harel, A.; Hauptman, J. M.; Hays, J.; Head, T.; Hebbeker, T.; Hedin, D.; Hegab, H.; Heinson, A. P.; Heintz, U.; Hensel, C.; Heredia-De La Cruz, I.; Herner, K.; Hesketh, G.; Hildreth, M. D.; Hirosky, R.; Hoang, T.; Hobbs, J. D.; Hoeneisen, B.; Hohlfeld, M.; Hubacek, Z.; Huske, N.; Hynek, V.; Iashvili, I.; Ilchenko, Y.; Illingworth, R.; Ito, A. S.; Jabeen, S.; Jaffré, M.; Jamin, D.; Jayasinghe, A.; Jesik, R.; Johns, K.; Johnson, M.; Jonckheere, A.; Jonsson, P.; Joshi, J.; Jung, A. W.; Juste, A.; Kaadze, K.; Kajfasz, E.; Karmanov, D.; Kasper, P. A.; Katsanos, I.; Kehoe, R.; Kermiche, S.; Khalatyan, N.; Khanov, A.; Kharchilava, A.; Kharzheev, Y. N.; Kohli, J. M.; Kozelov, A. V.; Kraus, J.; Kulikov, S.; Kumar, A.; Kupco, A.; Kur?a, T.; Kuzmin, V. A.; Kvita, J.; Lammers, S.; Landsberg, G.; Lebrun, P.; Lee, H. S.; Lee, S. W.; Lee, W. M.; Lellouch, J.; Li, L.; Li, Q. Z.; Lietti, S. M.; Lim, J. K.; Lincoln, D.; Linnemann, J.; Lipaev, V. V.; Lipton, R.; Liu, Y.; Lobodenko, A.; Lokajicek, M.; Lopes de Sa, R.; Lubatti, H. J.; Luna-Garcia, R.; Lyon, A. L.; Maciel, A. K. A.; Mackin, D.; Madar, R.; Magańa-Villalba, R.; Malik, S.; Malyshev, V. L.; Maravin, Y.; Martínez-Ortega, J.; McCarthy, R.; McGivern, C. L.; Meijer, M. M.; Melnitchouk, A.; Menezes, D.; Mercadante, P. G.; Merkin, M.; Meyer, A.; Meyer, J.; Miconi, F.; Mondal, N. K.; Muanza, G. S.; Mulhearn, M.; Nagy, E.; Naimuddin, M.; Narain, M.; Nayyar, R.; Neal, H. A.; Negret, J. P.; Neustroev, P.; Novaes, S. F.; Nunnemann, T.; Obrant, G.; Orduna, J.; Osman, N.; Osta, J.; Otero y Garzón, G. J.; Padilla, M.; Pal, A.; Parashar, N.; Parihar, V.; Park, S. K.; Parsons, J.; Partridge, R.; Parua, N.; Patwa, A.; Penning, B.; Perfilov, M.; Peters, K.; Peters, Y.; Petridis, K.; Petrillo, G.; Pétroff, P.; Piegaia, R.; Pleier, M.-A.; Podesta-Lerma, P. L. M.; Podstavkov, V. M.; Polozov, P.; Popov, A. V.; Prewitt, M.; Price, D.; Prokopenko, N.; Protopopescu, S.; Qian, J.; Quadt, A.; Quinn, B.; Rangel, M. S.; Ranjan, K.; Ratoff, P. N.; Razumov, I.; Renkel, P.; Rijssenbeek, M.; Ripp-Baudot, I.; Rizatdinova, F.; Rominsky, M.; Ross, A.; Royon, C.; Rubinov, P.; Ruchti, R.; Safronov, G.; Sajot, G.; Salcido, P.; Sánchez-Hernández, A.; Sanders, M. P.; Sanghi, B.; Santos, A. S.; Savage, G.; Sawyer, L.; Scanlon, T.; Schamberger, R. D.; Scheglov, Y.; Schellman, H.; Schliephake, T.; Schlobohm, S.; Schwanenberger, C.; Schwienhorst, R.; Sekaric, J.; Severini, H.; Shabalina, E.; Shary, V.; Shchukin, A. A.; Shivpuri, R. K.; Simak, V.; Sirotenko, V.; Skubic, P.; Slattery, P.; Smirnov, D.; Smith, K. J.

    2012-02-01T23:59:59.000Z

    We report an updated measurement of the CP-violating phase, ?<sub>s>J/??, and the decay-width difference for the two mass eigenstates, ??<sub>s>, from the flavor-tagged decay B0<sub>s>?J/??. The data sample corresponds to an integrated luminosity of 8.0 fb?ą accumulated with the D0 detector using pp? collisions at ?s=1.96 TeV produced at the Fermilab Tevatron collider. The 68% Bayesian credibility intervals, including systematic uncertainties, are ??<sub>s>=0.163+0.065<sub>?0.064sub> ps?ą and ?<sub>s>J/??=?0.55+0.38<sub>?0.36sub>. The p-value for the Standard Model point is 29.8%.

  17. Tunable electronic properties and low thermal conductivity in synthetic colusites Cu{sub 26?x}Zn{sub x}V{sub 2}M{sub 6}S{sub 32} (x ? 4, M = Ge, Sn)

    SciTech Connect (OSTI)

    Suekuni, K., E-mail: ksuekuni@jaist.ac.jp; Kim, F. S. [Department of Quantum Matter, Graduate School of Advanced Sciences of Matter, Hiroshima University, Higashi-Hiroshima 739-8530 (Japan); Takabatake, T. [Department of Quantum Matter, Graduate School of Advanced Sciences of Matter, Hiroshima University, Higashi-Hiroshima 739-8530 (Japan); Institute for Advanced Materials Research, Hiroshima University, Higashi-Hiroshima 739-8530 (Japan)

    2014-08-14T23:59:59.000Z

    We have first synthesized Cu{sub 26?x}Zn{sub x}V{sub 2}M{sub 6}S{sub 32} (x???4, M?=?Ge, Sn) with the cubic colusite structure and measured the thermoelectric properties. For both M?=?Ge and Sn, the samples with x?=?0 show moderately large thermopower of +27 ?V/K at 300?K. The metallic conduction of p-type carriers and Pauli-paramagnetic behavior are consistent with the electron-deficient character expected from the formal charge Cu{sub 26}{sup 1+}V{sub 2}{sup 5+}M{sub 6}{sup 4+}S{sub 32}{sup 2?}. The substitution of Zn for Cu results in significant increases in both the electrical resistivity and thermopower. The resistivity of the samples with x?=?4 displays a three-dimensional variable-range hopping behavior at low temperatures. These facts indicate that the doped electrons fill the unoccupied states in the valence band and thereby the Fermi level moves to the localized electronic states at the top of the band. The lattice thermal conductivity is as low as ?1?W/Km at 300?K for all samples. The structural and thermoelectric properties of the colusites are discussed in comparison with those of doped tetrahedrite Cu{sub 12?x}Zn{sub x}Sb{sub 4}S{sub 13}.

  18. Structural phase transition, narrow band gap, and room-temperature ferromagnetism in [KNbO{sub 3}]{sub 1?x}[BaNi{sub 1/2}Nb{sub 1/2}O{sub 3??}]{sub x} ferroelectrics

    SciTech Connect (OSTI)

    Zhou, Wenliang; Yang, Pingxiong, E-mail: pxyang@ee.ecnu.edu.cn; Chu, Junhao [Key Laboratory of Polar Materials and Devices, Ministry of Education, Department of Electronic Engineering, East China Normal University, Shanghai 200241 (China); Deng, Hongmei [Instrumental Analysis and Research Center, Institute of Materials, Shanghai University, 99 Shangda Road, Shanghai 200444 (China)

    2014-09-15T23:59:59.000Z

    Structural phase transition, narrow band gap (E{sub g}), and room-temperature ferromagnetism (RTFM) have been observed in the [KNbO{sub 3}]{sub 1?x}[BaNi{sub 1/2}Nb{sub 1/2}O{sub 3??}]{sub x} (KBNNO) ceramics. All the samples have single phase perovskite structure, but exhibit a gradual transition behaviour from the orthorhombic to a cubic structure with the increase of x. Raman spectroscopy analysis not only corroborates this doping-induced change in normal structure but also shows the local crystal symmetry for x ? 0.1 compositions to deviate from the idealized cubic perovskite structure. A possible mechanism for the observed specific changes in lattice structure is discussed. Moreover, it is noted that KBNNO with compositions x?=?0.1–0.3 have quite narrow E{sub g} of below 1.5?eV, much smaller than the 3.2?eV band gap of parent KNbO{sub 3} (KNO), which is due to the increasing Ni 3d electronic states within the gap of KNO. Furthermore, the KBNNO materials present RTFM near a tetragonal to cubic phase boundary. With increasing x from 0 to 0.3, the magnetism of the samples develops from diamagnetism to ferromagnetism and paramagnetism, originating from the ferromagnetic–antiferromagnetic competition. These results are helpful in the deeper understanding of phase transitions, band gap tunability, and magnetism variations in perovskite oxides and show the potential role, such materials can play, in perovskite solar cells and multiferroic applications.

  19. Synthesis and characterization of the ((CO)/sub 4/MoS/sub 2/MS/sub 2/)/sup 2 -/ and ((CO)/sub 4/MoS/sub 2/MS/sub 2/Mo(CO)/sub 4/)/sup 2 -/ ions (M = Mo, W): species containing group VI (6) metals in widely separated formal oxidation states

    SciTech Connect (OSTI)

    Rosenhein, L.D.; McDonald, J.W.

    1987-10-07T23:59:59.000Z

    Dinuclear and trinuclear sulfide-bridged complexes of the types (Et/sub 4/N)/sub 2/(MS/sub 4/(Mo(CO)/sub 4/)) and (Et/sub 4/N)/sub 2/(MS/sub 4/(Mo(CO)/sub 4/)/sub 2/) were prepared by the reaction of one or two equivalents of Mo(CO)/sub 4/(C/sub 7/H/sub 8/) (C/sub 7/H/sub 8/ = norbornadiene) with (Et/sub 4/N)/sub 2/(MS/sub 4/) (M = Mo, W) in methyl alcohol. Elemental analyses were consistent with the proposed formulae. Infrared spectra of all four compounds contain strong bands in the carbonyl region and low-energy bands characteristic of terminal and bridging M-S vibrations in linear, polynuclear, and sulfido-bridged species. Electrochemical experimental results support the hypothesis that the di- and trinuclear species contain both M(IV) (M = Mo, W) and Mo(0) oxidation states in the same complex. 33 references, 2 tables.

  20. Wave-function engineering and absorption spectra in Si{sub 0.16}Ge{sub 0.84}/Ge{sub 0.94}Sn{sub 0.06}/Si{sub 0.16}Ge{sub 0.84} strained on relaxed Si{sub 0.10}Ge{sub 0.90} type I quantum well

    SciTech Connect (OSTI)

    Yahyaoui, N., E-mail: naima.yahyaoui@yahoo.fr, E-mail: moncef-said@yahoo.fr; Sfina, N.; Said, M., E-mail: naima.yahyaoui@yahoo.fr, E-mail: moncef-said@yahoo.fr [Laboratoire de la Matičre Condensée et des Nanosciences (LMCN), Département de Physique, Faculté des Sciences de Monastir, Avenue de l'Environnement, 5019 Monastir (Tunisia); Lazzari, J.-L. [Centre Interdisciplinaire de Nanoscience de Marseille (CINaM), UMR CNRS 7325, Aix-Marseille Université, Case 913, Campus de Luminy, 13288 Marseille cedex 9 (France); Bournel, A. [Institut d'Electronique Fondamentale (IEF), UMR CNRS 8622, Université Paris-Sud, Bât. 220, 91405 Orsay cedex (France)

    2014-01-21T23:59:59.000Z

    We theoretically investigate germanium-tin alloy as a semiconductor for the design of near infrared optical modulators in which the Ge{sub 1?x}Sn{sub x} alloy is the active region. We have calculated the electronic band parameters for heterointerfaces between strained Ge{sub 1?x}Sn{sub x} and relaxed Si{sub 1?y}Ge{sub y}. Then, a type-I strain-compensated Si{sub 0.10}Ge{sub 0.90}/Si{sub 0.16}Ge{sub 0.84}/Ge{sub 0.94}Sn{sub 0.06} quantum well heterostructure optimized in terms of compositions and thicknesses is studied by solving Schrödinger equation without and under applied bias voltage. The strong absorption coefficient (>1.5?×?10{sup 4}?cm{sup ?1}) and the shift of the direct transition under large Stark effect at 3?V are useful characteristics for the design of optoelectronic devices based on compressively strained IV-IV heterostructures at near infrared wavelengths.