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. 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.

  3. Current status of fluoride volatility method development

    SciTech Connect (OSTI)

    Uhlir, J.; Marecek, M.; Skarohlid, J. [UJV - Nuclear Research Institute, Research Centre Rez, CZ-250 68 Husinec - Rez 130 (Czech Republic)

    2013-07-01T23:59:59.000Z

    The Fluoride Volatility Method is based on a separation process, which comes out from the specific property of uranium, neptunium and plutonium to form volatile hexafluorides whereas most of fission products (mainly lanthanides) and higher transplutonium elements (americium, curium) present in irradiated fuel form nonvolatile tri-fluorides. Fluoride Volatility Method itself is based on direct fluorination of the spent fuel, but before the fluorination step, the removal of cladding material and subsequent transformation of the fuel into a powdered form with a suitable grain size have to be done. The fluorination is made with fluorine gas in a flame fluorination reactor, where the volatile fluorides (mostly UF{sub 6}) are separated from the non-volatile ones (trivalent minor actinides and majority of fission products). The subsequent operations necessary for partitioning of volatile fluorides are the condensation and evaporation of volatile fluorides, the thermal decomposition of PuF{sub 6} and the finally distillation and sorption used for the purification of uranium product. The Fluoride Volatility Method is considered to be a promising advanced pyrochemical reprocessing technology, which can mainly be used for the reprocessing of oxide spent fuels coming from future GEN IV fast reactors.

  4. Cognitive Space 1 The Strong Cognitive Stance as a Conceptual Basis for the Role of Information in

    E-Print Network [OSTI]

    Newby, Gregory B.

    Cognitive Space 1 The Strong Cognitive Stance as a Conceptual Basis for the Role of Information@ils.unc.edu Abstract This paper analyzes different approaches that have been taken to describe and utilize cognitive space for use with information systems. A "strong cognitive stance" on the role of information

  5. Estimation of Quasi-Stiffness and Propulsive Work of the Human Ankle in the Stance Phase of Walking

    E-Print Network [OSTI]

    Dollar, Aaron M.

    Estimation of Quasi-Stiffness and Propulsive Work of the Human Ankle in the Stance Phase of Walking of human legs. This work aims to establish statistical models that allow us to predict the ankle quasi-stiffness and net mechanical work for adults walking on level ground. During the stance phase of walking, the ankle

  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. Volatility and commodity price dynamics

    E-Print Network [OSTI]

    Pindyck, Robert S.

    2001-01-01T23:59:59.000Z

    Commodity prices tend to be volatile, and volatility itself varies over time. changes in volatility can affect market variables by directly affecting the marginal value of storage, and by affecting a component of the total ...

  8. Figure 1. Ankle behavior can be approximated by a linear torsional spring in the progression stage of the stance phase of normal gait.

    E-Print Network [OSTI]

    Dollar, Aaron M.

    Figure 1. Ankle behavior can be approximated by a linear torsional spring in the progression stage of the stance phase of normal gait. Abstract--In this paper we explore the mechanical behavior of the ankle in the progression stage of stance during normal walking. We show that the torque/angle behavior of the ankle during

  9. In Search of a Statistically Valid Volatility Risk Factor

    E-Print Network [OSTI]

    Anderson, Robert M.; Bianchi, Stephen W.; Goldberg, Lisa R.

    2013-01-01T23:59:59.000Z

    The cross- section of volatility and expected returns, Theof a Statistically Valid Volatility Risk Factor (revised)of a Statistically Valid Volatility Risk Factor Robert M.

  10. 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 ...

  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. Volatile abundances in submarine glasses from the North Fiji and Lau back-arc basins

    SciTech Connect (OSTI)

    Aggrey, K.E.; Muenow, D.W.; Sinton, J.M. (Univ. of Hawaii, Honolulu (USA))

    1988-10-01T23:59:59.000Z

    Glasses from submarine lavas of the North Fiji and lau back-arc basins were analyzed by high-temperature mass spectrometry for volatiles. Abundances for H{sub 2}O, Cl, F, S and CO{sub 2} in glasses ranging in composition from depleted, primitive MORB to enriched, transitional tholeiites are reported. The samples divide into three groups based on K{sub 2}O vs. H{sub 2}O, Ba/Zr vs. H{sub 2}O and K{sub 2}O/H{sub 2}O vs. P{sub 2}O{sub 5}/H{sub 2}O variation diagrams. At similar Mg No., the least evolved samples studied are nearly identical to N-type MORB in H{sub 2}O abundances but show Cl contents enriched by a factor of 5. More enriched samples, classified as back-arc basin basalts (BABB) on the basis of major/trace elements and isotopes, are not as hydrous (at similar Mg No.) as those from the Mariana and East Scotia Sea back-arc basins. The data indicate that not all back-arc basins erupt lavas with the distinct volatile and other elemental characteristics of lavas from the Mariana Trough and Scotia Sea.

  13. 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.

  14. 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.

  15. Volatile organic compound sensing devices

    DOE Patents [OSTI]

    Lancaster, G.D.; Moore, G.A.; Stone, M.L.; Reagen, W.K.

    1995-08-29T23:59:59.000Z

    Apparatus employing vapochromic materials in the form of inorganic double complex salts which change color reversibly when exposed to volatile organic compound (VOC) vapors is adapted for VOC vapor detection, VOC aqueous matrix detection, and selective VOC vapor detection. The basic VOC vapochromic sensor is incorporated in various devices such as a ground probe sensor, a wristband sensor, a periodic sampling monitor, a soil/water penetrometer, an evaporative purge sensor, and various vacuum-based sensors which are particularly adapted for reversible/reusable detection, remote detection, continuous monitoring, or rapid screening of environmental remediation and waste management sites. The vapochromic sensor is used in combination with various fiber optic arrangements to provide a calibrated qualitative and/or quantitative indication of the presence of VOCs. 15 figs.

  16. Volatile organic compound sensing devices

    DOE Patents [OSTI]

    Lancaster, Gregory D. (Idaho Falls, ID); Moore, Glenn A. (Idaho Falls, ID); Stone, Mark L. (Idaho Falls, ID); Reagen, William K. (Stillwater, MN)

    1995-01-01T23:59:59.000Z

    Apparatus employing vapochromic materials in the form of inorganic double complex salts which change color reversibly when exposed to volatile organic compound (VOC) vapors is adapted for VOC vapor detection, VOC aqueous matrix detection, and selective VOC vapor detection. The basic VOC vapochromic sensor is incorporated in various devices such as a ground probe sensor, a wristband sensor, a periodic sampling monitor, a soil/water penetrometer, an evaporative purge sensor, and various vacuum-based sensors which are particularly adapted for reversible/reusable detection, remote detection, continuous monitoring, or rapid screening of environmental remediation and waste management sites. The vapochromic sensor is used in combination with various fiber optic arrangements to provide a calibrated qualitative and/or quantitative indication of the presence of VOCs.

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

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

    and Exhaust Partitioning of Volatile Organics in Diesel Particulate and Exhaust Evaluation of how sampling details affect the measurement of volatile organic compounds in...

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

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

    of Low Volatility Organic Analytes on Soils Using Infrared Reflection Spectroscopy. Abstract: Previous work on detection of low-volatility liquid organic (and...

  19. Comparative Toxicity of Combined Particle and Semi-Volatile Organic...

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

    Toxicity of Combined Particle and Semi-Volatile Organic Fractioins of Gasoline and Diesel Emissions Comparative Toxicity of Combined Particle and Semi-Volatile Organic Fractioins...

  20. Volatile constituents in a wood pyrolysis oil

    E-Print Network [OSTI]

    Lin, Shih-Chien

    1978-01-01T23:59:59.000Z

    Science VOLATILE CONSTITUTENTS IN A WOOD PYROLYSIS OIL A Thesis SHIH-CHIEN LIN Appro d as to style and content by: (Chairman of Committee) Head of epa tmen (Member Member Nay 1978 442936 ABSTRACT Volatile Constituents in a Wood Pyrolysis Oil.../120 Supelcoport. Other trace constituents of volatile acid were also 'dentifi="' by trap- ping the substances from the C. C. column into i: n;- 0-sh ped capillary tube and subjecting to mass spectrometry. The corrosivity of pyrolysis oil and it, volati'e acids...

  1. 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.

  2. 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

  3. 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.

  4. Pressure maintenance in a volatile oil reservoir

    E-Print Network [OSTI]

    Schuster, Bruce Alan

    1989-01-01T23:59:59.000Z

    PRESSURE MAINTENANCE IN A VOLATILE OIL RESERVOIR A Thesis BRUCE ALAN SCHUSTER 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 May, 1989 Major... Subject: Petroleum Engineering PRESSURE MAINTENANCE IN A VOLATILE OIL RESERVOIR A Thesis BRUCE ALAN SCHUSTER Approved as to style and content by: S. A. Holditch (Chair of Committee) W. J. Lee (Member) R. R, Berg (Member) , Jz W. D. Von Gonten...

  5. 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.

  6. 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.

  7. Volatile Species Retention During Metallic Fuel Casting

    SciTech Connect (OSTI)

    Randall S. Fielding; Douglas L. Proter

    2013-10-01T23:59:59.000Z

    Metallic nuclear fuels are candidate transmutation fuel forms for advanced fuel cycles. Through the operation of the Experimental Breeder Reactor II metallic nuclear fuels have been shown to be robust and easily manufactured. However, concerns have been raised concerning loss of americium during the casting process because of its high vapor pressure. In order to address these concerns a gaseous diffusion model was developed and a series of experiments using both manganese and samarium as surrogates for americium were conducted. The modeling results showed that volatility losses can be controlled to essentially no losses with a modest overpressure. Experimental results also showed volatile species retention down to no detectable losses through overpressure, although the loss values varied from the model results the same trend was seen. Bases on these results it is very probably that americium losses through volatility can be controlled to no detectable losses through application of a modest overpressure during casting.

  8. 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.

  9. 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...

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

    E-Print Network [OSTI]

    Edwards, Paul N.

    a country's political conditions affect oil production within its borders. We show production, with very democratic regimes exhibiting less volatility in their oil production than more of oil production volatility. Our finding has implications both for understanding world oil markets

  11. 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.

  12. Micropatterned Polymeric Gratings as Chemoresponsive Volatile Organic Compound

    E-Print Network [OSTI]

    Micropatterned Polymeric Gratings as Chemoresponsive Volatile Organic Compound Sensors, Northwestern University, Evanston, Illinois 60208 Micropatterned polymeric diffraction gratings have been

  13. COMMODITY PRICE VOLATILITY ACROSS EXCHANGE RATE REGIMES

    E-Print Network [OSTI]

    1 COMMODITY PRICE VOLATILITY ACROSS EXCHANGE RATE REGIMES John T. Cuddington* and Hong Liang** March 10, 2003 ABSTRACT This paper documents a new "stylized fact" regarding the relative price 1880 to 1996, this key relative price among two categories of tradable goods is shown to exhibit

  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. Approximate hedging problem with transaction costs in stochastic volatility markets

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    Approximate hedging problem with transaction costs in stochastic volatility markets Thai Huu Nguyen stochastic volatility markets with transaction costs using a new form for enlarged volatility in Leland between the present setting and high frequency markets with transaction costs. Possibilities to improve

  16. Volatility Persistence in Crude Oil Markets Amlie CHARLES

    E-Print Network [OSTI]

    Boyer, Edmond

    announcements on production reduction or US announcements on crude inventories. We find that the crude oilVolatility Persistence in Crude Oil Markets Amélie CHARLES Audencia Nantes, School of Management on the volatility modelling process improve the understanding of volatility in crude oil markets. Keywords: Crude

  17. 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 ...

  18. 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.

  19. 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

  20. 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.

  1. GADOLINIUM SOLUBILITY AND VOLATILITY DURING DWPF PROCESSING

    SciTech Connect (OSTI)

    Reboul, S

    2008-01-30T23:59:59.000Z

    Understanding of gadolinium behavior, as it relates to potential neutron poisoning applications at the DWPF, has increased over the past several years as process specific data have been generated. Of primary importance are phenomena related to gadolinium solubility and volatility, which introduce the potential for gadolinium to be separated from fissile materials during Chemical Process Cell (CPC) and Melter operations. Existing data indicate that gadolinium solubilities under moderately low pH conditions can vary over several orders of magnitude, depending on the quantities of other constituents that are present. With respect to sludge batching processes, the gadolinium solubility appears to be highly affected by iron. In cases where the mass ratio of Fe:Gd is 300 or more, the gadolinium solubility has been observed to be low, one milligram per liter or less. In contrast, when the ratio of Fe:Gd is 20 or less, the gadolinium solubility has been found to be relatively high, several thousands of milligrams per liter. For gadolinium to serve as an effective neutron poison in CPC operations, the solubility needs to be limited to approximately 100 mg/L. Unfortunately, the Fe:Gd ratio that corresponds to this solubility limit has not been identified. Existing data suggest gadolinium and plutonium are not volatile during melter operations. However, the data are subject to inherent uncertainties preventing definitive conclusions on this matter. In order to determine if gadolinium offers a practical means of poisoning waste in DWPF operations, generation of additional data is recommended. This includes: Gd solubility testing under conditions where the Fe:Gd ratio varies from 50 to 150; and Gd and Pu volatility studies tailored to quantifying high temperature partitioning. Additional tests focusing on crystal aging of Gd/Pu precipitates should be pursued if receipt of gadolinium-poisoned waste into the Tank Farm becomes routine.

  2. 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...

  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. Volatiles in hydrothermal fluids- A mass spectrometric study...

    Open Energy Info (EERE)

    Volatiles in hydrothermal fluids- A mass spectrometric study of fluid inclusions from active geothermal systems Jump to: navigation, search OpenEI Reference LibraryAdd to library...

  5. Volatility of Gasoline and Diesel Fuel Blends for Supercritical...

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

    Gasoline and Diesel Fuel Blends for Supercritical Fuel Injection Volatility of Gasoline and Diesel Fuel Blends for Supercritical Fuel Injection Supercritical dieseline could be...

  6. Particulate Matter Sampling and Volatile Organic Compound Removal...

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

    Organic Compound Removal for Characterization of Spark Ignited Direct Injection Engine Particulate Matter Sampling and Volatile Organic Compound Removal for Characterization...

  7. 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...

  8. FIELD SCREENING FOR HALOGENATED VOLATILE ORGANIC COMPOUNDS

    SciTech Connect (OSTI)

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

    2002-06-01T23:59:59.000Z

    Western Research Institute (WRI) initiated exploratory work towards the development of new field 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 carbon-halogen bonds. Commercially available heated diode and corona discharge leak detectors were procured and evaluated for halogenated VOC response. The units were modified to provide a digital readout of signal related to VOC concentration. Sensor response was evaluated with carbon tetrachloride and tetrachloroethylene (perchloroethylene, PCE), which represent halogenated VOCs with and without double bonds. The response characteristics were determined for the VOCs directly in headspace in Tedlar bag containers. Quantitation limits in air were estimated. Potential interferences from volatile hydrocarbons, such as toluene and heptane, were evaluated. The effect of humidity was studied also. The performance of the new devices was evaluated in the laboratory by spiking soil samples and monitoring headspace for halogenated VOCs. A draft concept of the steps for a new analytical method was outlined. The results of the first year effort show that both devices show potential utility for future analytical method development work towards the goal of developing a portable test kit for screening halogenated VOCs in the field.

  9. 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.

  10. A Comment on \\The Cross-Section of Volatility and Expected Returns": The Statistical Signi

    E-Print Network [OSTI]

    Anderson, Robert M.; Bianchi, Stephen W.; Goldberg, Lisa R.

    2012-01-01T23:59:59.000Z

    on "The Cross-Section of Volatility and Expected Returns":on The Cross-Section of Volatility and Expected Returns:the pricing of aggregate volatility risk and idiosyncratic

  11. 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-562-3966. #12;MARKET POWER AND PRICE VOLATILITY IN RESTRUCTURED MARKETS FOR ELECTRICITY Tim Mount School.edu Abstract The restructured market for electricity in the UK has experienced a systematic pattern of price

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

    E-Print Network [OSTI]

    . 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 compressed natural gas, and emission control technologies that will best protect human health

  13. 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-

  14. 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.

  15. 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.

  16. Alternative route for the preparation of CoSb{sub 3} and Mg{sub 2}Si derivatives

    SciTech Connect (OSTI)

    Godlewska, E., E-mail: godlewsk@agh.edu.pl [AGH University of Science and Technology, Faculty of Materials Science and Ceramics, Krakow (Poland); Mars, K.; Zawadzka, K. [AGH University of Science and Technology, Faculty of Materials Science and Ceramics, Krakow (Poland)] [AGH University of Science and Technology, Faculty of Materials Science and Ceramics, Krakow (Poland)

    2012-09-15T23:59:59.000Z

    An alternative manufacturing route has been developed for cobalt triantimonide and magnesium disilicide derivatives. Elemental powders were mixed in stoichiometric proportions, cold pressed into cylindrical preforms and heated in oxygen-free environment to initiate the exothermic reaction. According to DTA/TG measurements and observations under high-temperature microscope, the onset of reaction occurred at a temperature not exceeding the melting point of the more volatile component, i.e. antimony in the case of CoSb{sub 3} and magnesium in the case of Mg{sub 2}Si. The reaction products were additionally heat treated to secure homogenization. Dense sinters were obtained by hot uniaxial pressing of the obtained powders in moderate temperature-and-pressure conditions. Several advantages were identified in the proposed technology: absence of liquid phases, relatively short time of the synthesis, possibility of in-situ or ex-situ doping and grain size control. - Graphical abstract: (1) Manufacturing flow sheet for CoSb{sub 3} (milling included) and Mg{sub 2}Si (no milling). (2) Micrographs of CoSb{sub 3} product. (3) Micrographs of Mg{sub 2}Si product. Highlights: Black-Right-Pointing-Pointer The combustion synthesis followed by HP was used for the manufacturing of CoSb{sub 3} or Mg{sub 2}Si. Black-Right-Pointing-Pointer The time of reaction is shorter compared with many other synthesis methods. Black-Right-Pointing-Pointer The process is scalable and practically wasteless.

  17. 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.

  18. 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 ...

  19. 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

  20. 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

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

    Open Energy Info (EERE)

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

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

    Open Energy Info (EERE)

    Concentrations In Submarine-Collected Basalts Abstract Major-element and volatile (H2O, CO2, S) compositions of glasses from the submarine flanks of Kilauea Volcano record its...

  3. 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 ...

  4. In Vitro Genotoxicity of Particulate and Semi-Volatile Organic...

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

    Particulate and Semi-Volatile Organic Compound Exhaust Materails from a Set of Gasoline and a Set of Diesel Engine Vehicles Operated at 30F In Vitro Genotoxicity of Particulate...

  5. 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...

  6. Modelling of NO{sub x} reduction strategies applied to 350 MW(e) utility boilers

    SciTech Connect (OSTI)

    Visona, S.P.; Singh, B. [AUSTA Electric, Brisbane (Australia); Stanmore, B.R. [Dept. of Chemical Engineering, Brisbane (Australia)

    1997-07-01T23:59:59.000Z

    A computational fluid dynamics model has been combined with a NO{sub x} chemistry post-processor to predict the formation and destruction of nitric oxide in three-dimensional furnaces burning pulverized fuel. The model considers the complex interaction of turbulent flow, heat transfer, combustion, and NO{sub x} reaction chemistry. Lagrangian particle dynamics are used to track burning pulverized coal particles through the computational cells. Fuel nitrogen is released in proportion to the burnout of the particle. A range of combustion NO{sub x} reduction strategies has been applied to two 350 MW(e) utility boilers burning different coals. A medium volatile bituminous coal is fired using low NO{sub x} burners in one furnace and a sub-bituminous coal is burnt using conventional swirl burners in a different furnace. The strategies include: burner out of service, overfire air, reduction in excess air, change in particle size, and fuel reburn. In general NO{sub x} predictions are better for the sub-bituminous coal than for the medium volatile bituminous coal. Typical NO{sub x} prediction errors are {+-} 10 percent.

  7. 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.

  8. 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}.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. Volatility literature of chlorine, iodine, cesium, strontium, technetium, and rhenium; technetium and rhenium volatility testing

    SciTech Connect (OSTI)

    Langowski, M.H.; Darab, J.G.; Smith, P.A.

    1996-03-01T23:59:59.000Z

    A literature review pertaining to the volatilization of Sr, Cs, Tc (and its surrogate Re), Cl, I and other related species during the vitrification of Hanford Low Level Waste (LLW) streams has been performed and the relevant information summarized. For many of these species, the chemistry which occurs in solution prior to the waste stream entering the melter is important in dictating their loss at higher temperatures. In addition, the interactive effects between the species being lost was found to be important. A review of the chemistries of Tc and Re was also performed. It was suggested that Re would indeed act as an excellent surrogate for Tc in non-radioactive materials testing. Experimental results on Tc and Re loss from sodium aluminoborosilicate melts of temperatures ranging from 900--1350{degrees}C performed at PNL are reported and confirm that Re behaves in a nearly identical manner to that of technetium.

  14. 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.

  15. 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.

  16. Outlook for SO{sub 2} allowance prices: are higher prices here to stay?

    SciTech Connect (OSTI)

    Gaalaas, T. [Pace Global Energy Services, LLC (United States)

    2006-02-15T23:59:59.000Z

    Continued drawdowns of the SO{sub 2} allowance 'bank' through 2007 will most likely cause SO{sub 2} allowance prices to remain well above the 2003 levels during 2006-07. And in 2010 and beyond, stricter regulation of SO{sub 2} emissions again will exert upward pressure on SO{sub 2} allowance prices. In between the potential exists for a decline in prices from current levels. Regardless, given the massive reduction in the amount of emissions allowed over the 2010-2015 time period and the continuing near-term depletion of the bank, the volatility in SO{sub 2} allowance prices is likely to be significantly greater going forward than it has been in the past. Generators should plan accordingly. 3 figs.

  17. Growth mechanism difference of sputtered HfO{sub 2} on Ge and on Si

    SciTech Connect (OSTI)

    Kita, Koji; Kyuno, Kentaro; Toriumi, Akira [Department of Materials Science, School of Engineering, University of Tokyo 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan)

    2004-07-05T23:59:59.000Z

    HfO{sub 2} films were deposited by the reactive sputtering on Ge and Si substrates simultaneously, and we found both the interface layer and the HfO{sub 2} film were thinner on Ge substrate than those on Si substrate. A metallic Hf layer has a crucial role for the thickness differences of both interface layer and HfO{sub 2} film, since those thickness differences were observed only when an ultrathin metallic Hf layer was predeposited before the reactive sputtering process. The role of metallic Hf in these phenomena is understandable by assuming the formation of a volatile Hf-Ge-O ternary compound at the early stage of the film growth. This result shows that the HfO{sub 2}/Ge system has an advantage over the HfO{sub 2}/Si system from the viewpoint of further reduction of the gate oxide film thickness.

  18. 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...

  19. A two-dimensional volatility basis set Part 2: Diagnostics of organic-aerosol evolution

    E-Print Network [OSTI]

    Donahue, N. M.

    We discuss the use of a two-dimensional volatility-oxidation space (2-D-VBS) to describe organic-aerosol chemical evolution. The space is built around two coordinates, volatility and the degree of oxidation, both of which ...

  20. 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,

  1. Integration of Micro Patterning Techniques into Volatile Functional Materials and Advanced Devices

    E-Print Network [OSTI]

    Hong, Jung M.

    2010-07-14T23:59:59.000Z

    Novel micro patterning techniques have been developed for the patterning of volatile functional materials which cannot be conducted by conventional photolithography. First, in order to create micro patterns of volatile materials (such as bio...

  2. 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.

  3. 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...

  4. Volatile Organic Compound Discrimination using Nanostructured Polythiophene Sensors

    E-Print Network [OSTI]

    Weiss, Lee E.

    in determining response to specific VOCs. I. INTRODUCTION A low-cost, low-power, and portable device for volatile selectivity. While there has been limited success in sensor development for greenhouse gases (CO2, CH4, N2O, NO and CO), the technology for detection of VOCs remains weak due to the similarity of chemical composition

  5. Organizational Adaptation in Volatile Environments Kathleen M. Carley

    E-Print Network [OSTI]

    Sadeh, Norman M.

    by environmental volatility. This paper uses a computational model of organizational learning to theorize about within an ecology of learning in which change is occurring at many levels -- individual, organizational organizational adaptation as resulting from strategic maneuvering in a learning ecology will be illustrated using

  6. 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

  7. A Class of Stochastic Volatility Models for Environmental Applications

    E-Print Network [OSTI]

    Breidt, F. Jay

    Pharmaceuticals Inc. Ke Wang, Pfizer Inc. F. Jay Breidt, Colorado State University Richard A. Davis, Columbia stochastic volatility modeling to this context, resulting in a stochastic heteroscedastic process (SHP), which is unconditionally stationary and non-Gaussian. Conditional on a latent GP, the SHP

  8. 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...

  9. 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

  10. 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.

  11. MAGNESIUM ABSORPTION IN THE CCUM OF RATS RELATED TO VOLATILE FATTY ACIDS PRODUCTION

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    MAGNESIUM ABSORPTION IN THE C?CUM OF RATS RELATED TO VOLATILE FATTY ACIDS PRODUCTION Y. RAYSSIGUIER RELATIONS ENTRE L'ABSORPTION C,4ECALE DE MAGNESIUM CHEZ LE RAT ET LA PRODUCTION D'ACIDES GRAS VOLATILS du caecum, pH, acides gras volatils, activité microbienne. Introduction The mode of magnesium

  12. Phase relations of the Li{sub 2}O-Ta{sub 2}O{sub 5}-B{sub 2}O{sub 3} and Li{sub 2}O-WO{sub 3}-B{sub 2}O{sub 3} systems and promising nonlinear optical compounds in K{sub 2}O-Ta{sub 2}O{sub 5}-B{sub 2}O{sub 3} system

    SciTech Connect (OSTI)

    Cai Gemei; Wang, W.Y.; Li, M. [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, P.O. Box 603, Beijing 100080 (China); Lou, Y.F. [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, P.O. Box 603, Beijing 100080 (China); Center of Condensed Matter and Materials Physics, School of Sciences, Beihang University, Beijing 100083 (China); Sun, Y.P. [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, P.O. Box 603, Beijing 100080 (China); Chen, X.L. [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, P.O. Box 603, Beijing 100080 (China)], E-mail: chenx29@aphy.iphy.ac.cn

    2009-01-08T23:59:59.000Z

    The subsolidus phase equilibria of the Li{sub 2}O-Ta{sub 2}O{sub 5}-B{sub 2}O{sub 3}, K{sub 2}O-Ta{sub 2}O{sub 5}-B{sub 2}O{sub 3} and Li{sub 2}O-WO{sub 3}-B{sub 2}O{sub 3} systems have been investigated mainly by means of the powder X-ray diffraction method. Two ternary compounds, KTaB{sub 2}O{sub 6} and K{sub 3}Ta{sub 3}B{sub 2}O{sub 12} were confirmed in the system K{sub 2}O-Ta{sub 2}O{sub 5}-B{sub 2}O{sub 3}. Crystal structure of compound KTaB{sub 2}O{sub 6} has been refined from X-ray powder diffraction data using the Rietveld method. The compound crystallizes in the orthorhombic, space group Pmn2{sub 1} (No. 31), with lattice parameters a = 7.3253(4) A, b = 3.8402(2) A, c = 9.3040(5) A, z = 2 and D{sub calc} = 4.283 g/cm{sup 3}. The powder second harmonic generation (SHG) coefficients of KTaB{sub 2}O{sub 6} and K{sub 3}Ta{sub 3}B{sub 2}O{sub 12} were five times and two times as large as that of KH{sub 2}PO{sub 4} (KDP), respectively.

  13. 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}.

  14. 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.

  15. 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.

  16. 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.

  17. 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 106C 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 Henrys 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.

  18. Synthesis, spectroscopy, and structural characterization of six-coordinate bis(aryldiazenido)rhenium and bis(diarylhydrazido)rhenium complexes. X-ray structures of (Et{sub 4}N)[Re(NNPh){sub 2}(O{sub 2}C{sub 6}H{sub 4}){sub 2}], (Et{sub 4}N)[Re(NNPh{sub 2}){sub 2}(O{sub 2}C{sub 6}H{sub 4}){sub 2}], and Na[Re(NNPh){sub 2}(O{sub 2}C{sub 6}H{sub 4}){sub 2}]{center_dot}CH{sub 3}CN

    SciTech Connect (OSTI)

    Kettler, P.B.; Chang, Yuan-Da; Zubieta, J. [Syracuse Univ., NY (United States)

    1994-12-07T23:59:59.000Z

    The reactions of the cis-dioxorhenium(VII)-catecholate complex [(CH{sub 3}CH{sub 2}){sub 4}N][ReO{sub 2}(O{sub 2}C{sub 6}H{sub 4}){sub 2}] (1) with either monosubstituted organohydrazines (C{sub 6}H{sub 5}NHNH{sub 2}; 4-BrC{sub 6}H{sub 4}NHNH{sub 2}) or 1,1 disubstituted organohydrazines (Ph{sub 2-}NNH{sub 2}) yield the cis-bis(diazenido) core complexes [(CH{sub 3}CH{sub 2}){sub 4}N][Re(NNR){sub 2}(O{sub 2}C{sub 6}H{sub 4}){sub 2}] (5, R = C{sub 6}H{sub 5}; 6, R = 4-BrC{sub 6}H{sub 4}) and the cis-bis(hydrazido) core species [(CH{sub 3}CH{sub 2}){sub 4}N][Re(NNPh{sub 2}){sub 2}(O{sub 2}C36H{sub 4}){sub 2}(O{sub 2}C36H{sub 4}){sub 2}] (7). Elution of 5 in a 3:1 mixture of toluene/methanol on a column of silica gel resulted in cation exchange to give Na[Re(NNPh){sub 2}-(O{sub 2}C{sub 6}H{sub 4}){sub 2}]{center_dot}CH{sub 3}CN (8) as a one-dimensional polymer ([Na(CH{sub 3}CN)]{sup +}[Re(NNPh){sub 2}(O{sub 2}C{sub 6}H{sub 4}){sub 2}]{sup {minus}}){sub 2}. Crystal data for C{sub 32}H{sub 38}N{sub 5}O{sub 4}Re (5): P2{sub 1}/c,a = 14.458(3) {angstrom}, b = 10.436(2) {angstrom}, c = 21.767(4) {angstrom}, {beta} = 107.04(3){degrees}, V = 3140(2) {angstrom}{sup 3}, Z = 4, D {sub calc} = 1.572 g cm{sup {minus}3}; structure solution and refinement based on 3256 reflections with I{sub o} {ge} 3{sigma}(I{sub o}) converged at R = 0.053. Crystal data for C{sub 44}H{sub 48}N{sub 5}O{sub 4}Re (7): P1, a = 11.660(2) {angstrom}, b = 11.864(2) {angstrom}, c = 15.400(2) {angstrom}, {alpha} = 107.12(3){degrees}, {beta} = 94.99(3){degrees}, {gamma} = 97.61(3){degrees}, V = 2000(1) {angstrom}{sup 3}, Z = 2, D{sub calc} = 1.490 g cm{sup {minus}3}; 3702 reflections, R = 0.0534. Crystal data for C{sub 26}H{sub 18}N{sub 5}NaO{sub 4}Re (8): P2/n, a = 5.785(1) {angstrom}, b = 9.670(2) {angstrom}, c = 23.142(5) {angstrom}. {beta} = 90.91(30)degrees, V = 1294.4(7) {angstrom}{sup 3}, Z = 2, D{sub calc} = 1.737 g cm{sup {minus}3}; 1517 reflections, R = 0.049.

  19. Observations of nonmethane hydrocarbons and oxygenated volatile organic compounds at a rural site in the southeastern United States

    SciTech Connect (OSTI)

    Riemer, Daniel; Pos, Willer; Milne, Peter; Farmer, Charlesk; Zika, Rod [Division of Marine and Atmospheric Chemistry, Rosenstiel School of Marine and Atmospheric Science, University of Miami, Miami, Florida (United States)] [Atmospheric Chemistry Division, National Center for Atmospheric Research, Boulder, Colorado (United States)] [Atmospheric Sciences, Tennessee Valley Authority, Muscle Shoals, Alabama (United States)] Apel, Eric [Atmospheric Chemistry Group, Mantech Environmental Research Triangle Park, North Carolina (United States)] Olszyna, Ken [National Environmental Research Laboratory, U.S. EPA. Research Triangle Park, North Carolina (United States)] Kliendienst, Tad [Department of Chemistry, Western Michigan University, Kalamazoo, Michigan (United States)] Lonneman, William [Departments of Chemistry, and Earth and Atmospheric Science, Purdue University, West Lafayette, Indiana (United States); Shepson, Paul; Starn, Tim

    1998-11-01T23:59:59.000Z

    Measurements of an extensive range of nonmethane hydrocarbons (NMHCs) including alkanes, alkenes, and aromatics, and oxygenated volatile organic compounds (OVOCs) including alcohols, ketones, and aldehydes were conducted for several weeks during the summer of 1995 as part of the Southern Oxidants Study (SOS) at a rural experimental site (Youth, Inc.) 32 km southeast of Nashville, Tennessee, in the southeastern United States. These measurements were conducted to (1) determine the absolute magnitude and variability of oxygenated compounds found in a contemporary rural region; (2) assess the importance of the measured ambient levels of OVOCs on a photochemical reactivity basis relative to the more commonly determined NMHCs; and (3) to evaluate our ability to accurately measure oxygenates by the current techniques employed under a field study scenario. Several other physical (temperature, insolation, etc.), meteorological (wind velocity, wind direction, atmospheric structure, and boundary layer height), and chemical (criterion pollutants, NO{sub x}, SO{sub 2}, CO, O{sub 3}, etc.) parameters were measured concurrently with the NMHC and OVOC measurements. During the study period, OVOCs were consistently the dominant compounds present, and methanol and acetone had the highest mixing ratios. Although OVOCs made up the majority of the volatile organic compound component on a mass basis, a substantial sink for OH was isoprene and its immediate oxidation products, methacrolein and methyl vinyl ketone. In combination with CO and formaldehyde, these compounds comprised about 85{percent} of the observed OH reactivity at the site. Acetaldehyde and methanol were responsible for an additional 10{percent}, with the NMHCs and remaining OVOCs making up the final 5{percent} of the measured OH reactivity at the site. These observed patterns reinforce recent studies which find OVOCs to be an important component of the rural troposphere. {copyright} 1998 American Geophysical Union

  20. 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.

  1. Addition of NH{sub 3} to Al{sub 3}O{sub 3}{sup -}

    SciTech Connect (OSTI)

    Wyrwas, Richard B.; Jarrold, Caroline Chick; Das, Ujjal; Raghavachari, Krishnan [Indiana University, Department of Chemistry, Bloomington, Indiana 47405-7102 (United States)

    2006-05-28T23:59:59.000Z

    Recent computational studies on the addition of ammonia (NH{sub 3}) to the Al{sub 3}O{sub 3}{sup -} cluster anion [A. Guevara-Garcia, A. Martinez, and J. V. Ortiz, J. Chem. Phys. 122, 214309 (2005)] have motivated experimental and additional computational studies, reported here. Al{sub 3}O{sub 3}{sup -} is observed to react with a single NH{sub 3} molecule to form the Al{sub 3}O{sub 3}NH{sub 3}{sup -} ion in mass spectrometric studies. This is in contrast to similarly performed studies with water, in which the Al{sub 3}O{sub 5}H{sub 4}{sup -} product was highly favored. However, the anion PE spectrum of the ammoniated species is very similar to that of Al{sub 3}O{sub 4}H{sub 2}{sup -}. The adiabatic electron affinity of Al{sub 3}O{sub 3}NH{sub 3} is determined to be 2.35(5) eV. Based on comparison between the spectra and calculated electron affinities, it appears that NH{sub 3} adds dissociatively to Al{sub 3}O{sub 3}{sup -}, suggesting that the time for the Al{sub 3}O{sub 3}{sup -}{center_dot}NH{sub 3} complex to either overcome or tunnel through the barrier to proton transfer (which is higher for NH{sub 3} than for water) is short relative to the time for collisional cooling in the experiment.

  2. 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.

  3. Method for refreshing a non-volatile memory

    DOE Patents [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.

  4. Preparation of U.sub.3 O.sub.8

    DOE Patents [OSTI]

    Johnson, David R. (Aiken, SC)

    1980-01-01T23:59:59.000Z

    A method is described for the preparation of U.sub.3 O.sub.8 nuclear fuel material by direct precipitation of uranyl formate monohydrate from uranyl nitrate solution. The uranyl formate monohydrate precipitate is removed, dried and calcined to produce U.sub.3 O.sub.8 having a controlled particle size distribution.

  5. 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.

  6. Comments on Americium Volatilization during Fuel Fabrication for Fast Reactors

    SciTech Connect (OSTI)

    Sabau, Adrian S [ORNL; Ohriner, Evan Keith [ORNL

    2008-01-01T23:59:59.000Z

    The physical processes relevant to the fabrication of metallic and ceramic nuclear fuels are analyzed, with attention to recycling of fuels containing U, Pu, and minor volatile actinides for the use in fast reactors. This analysis is relevant to the development of a process model that can be used for the numerical simulation and prediction of the spatial distribution of composition in the fuel, an important factor in fuel performance.

  7. Volatile organic compound losses from sewage sludge-amended soils

    SciTech Connect (OSTI)

    Wilson, S.C.; Jones, K.C.

    1999-08-01T23:59:59.000Z

    Volatile organic compounds (VOCs) applied to soil in sludge have been assumed to disappear quickly and completely. The VOC behavior in sludge-amended soils has been studied previously only in laboratory systems where the sludged soil has been spiked with compounds of interest. Behavior in these systems may not necessarily represent compound behavior in field soils to which contaminated sludge is added. A series of laboratory microcosm experiments were designed therefore to investigate the behavior of toluene, ethyl benzene, o-, m-, and p-xylene applied to soil in contaminated sludge, and factors influencing loss processes. The VOC loss from sludge-amended soil was well described by a simple one step pseudo-first-order model but in certain soils was better described by a two step first-order model. Volatilization was the predominant loss process. Rates of loss depended on sludge application rate, method of sludge application, soil properties, and on compound characteristics. Experiments indicated that spiking sludge-amended soils gave a reasonable indication of VOC loss rates from systems amended with contaminated sludge at least over a period of 23 d. The majority of VOCs applied to soils in sludge volatilizes quickly to the atmosphere over a few to 10s of days with a small fraction lost more slowly. Potential for VOC crop uptake, livestock ingestion, and contamination of ground water is low under routine, managed applications of sewage sludge to agricultural land.

  8. 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.

  9. Phase equilibria in the quasi-ternary system Ag{sub 2}SeGa{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}SeGa{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, 7.510{sup 5} and 3.1510{sup 5} ? m, respectively, optical absorption spectra in the 6001050 nm range were recorded at room temperature, and the band gap energy was estimated which is 1.950. 01 eV for both samples. - Graphical abstract: The article reports for the first time the investigated liquidus surface projection of the Ag{sub 2}SeGa{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}SeGa{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.

  10. Plasma etching of HfO{sub 2} at elevated temperatures in chlorine-based chemistry

    SciTech Connect (OSTI)

    Helot, M.; Chevolleau, T.; Vallier, L.; Joubert, O.; Blanquet, E.; Pisch, A.; Mangiagalli, P.; Lill, T. [STMicroelectronics, 850 rue Jean Monnet, 38926 Crolles Cedex (France); Laboratoire des Technologies de la Microelectronique, CNRS, 17 rue des martyrs (CEA-LETI), 38054 Grenoble Cedex 09 (France); LTPCM/INPG-CNRS-UJF, 1130 rue de la piscine, 38402 Saint-Martin-d'Heres (France); Applied Materials, 974 E. Arques Ave. M/S 81334, Sunnyvale, California 94086 (United States)

    2006-01-15T23:59:59.000Z

    Plasma etching of HfO{sub 2} at an elevated temperature is investigated in chlorine-based plasmas. Thermodynamic studies are performed in order to determine the most appropriate plasma chemistry. The theoretical calculations show that chlorocarbon gas chemistries (such as CCl{sub 4} or Cl{sub 2}-CO) can result in the chemical etching of HfO{sub 2} in the 425-625 K temperature range by forming volatile effluents such as HfCl{sub 4} and CO{sub 2}. The etching of HfO{sub 2} is first studied on blanket wafers in a high density Cl{sub 2}-CO plasma under low ion energy bombardment conditions (no bias power). Etch rates are presented and discussed with respect to the plasma parameters. The evolution of the etch rate as function of temperature follows an Arrhenius law indicating that the etching comes from chemical reactions. The etch rate of HfO{sub 2} is about 110 A /min at a temperature of 525 K with a selectivity towards SiO{sub 2} of 15. x-ray photoelectron spectroscopy analyses (XPS) reveal that neither carbon nor chlorine is detected on the HfO{sub 2} surface, whereas a chlorine-rich carbon layer is formed on top of the SiO{sub 2} surface leading to the selectivity between HfO{sub 2} and SiO{sub 2}. A drift of the HfO{sub 2} etch process is observed according to the chamber walls conditioning due to chlorine-rich carbon coatings formed on the chamber walls in a Cl{sub 2}-CO plasma. To get a very reproducible HfO{sub 2} etch process, the best conditioning strategy consists in cleaning the chamber walls with an O{sub 2} plasma between each wafer. The etching of HfO{sub 2} is also performed on patterned wafers using a conventional polysilicon gate. The first result show a slight HfO{sub 2} foot at the bottom of the gate and the presence of hafnium oxide-based residues in the active areas.

  11. 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.

  12. 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)

  13. 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.

  14. Evidence for SF sub 4 and SF sub 2 formation in SF sub 6 corona discharges

    SciTech Connect (OSTI)

    Sauers, I.

    1991-01-01T23:59:59.000Z

    Direct detection of positive ions produced in positive point-to-plane SF{sub 6} corona discharges indicate the formation of SF{sub x}{sup +}, x = 1-5. Estimates of SF{sub 3}{sup +}, SF{sub 2}{sup +} and SF{sup +} from electron impact dissociative ionization cross section data of SF{sub 6}indicate that the experimental values are higher by factors of 10, 59, and 46 respectively. This can be explained on the basis of steady state concentrations of SF{sub 4}, and the ions SF{sub 2}{sup +} and SF{sup +} are derived from SF{sub 2}. Further, more direct evidence is given by the observation of cluster ions SF{sub x}{sup +}(SF{sub 4}) and SF{sub x}{sup +}(SF{sub 2}), x = 2,3. The formation of SF{sub 4} and SF{sub 2} will be discussed in the context of chemical kinetics models and plasma studies which also indicate formation of these species in SF{sub 6} discharges and its relevance to stable by-product formation. 18 refs., 2 figs., 3 tabs.

  15. 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. ...

  16. 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.

  17. 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) , b=11.052(2) , c=10.666(2) and ?=93.897(3)), P1{sup } (a=7.051(2) , b=7.198(2) , c=8.314(2) , ?=107.897(3), ?=102.687(3) and ?=100.564(3)) and C2/c (a=17.862(4) , b=6.931(1) , c=20.133(4) 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 sulfatemetal 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.

  18. 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.

  19. 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,

  20. 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.

  1. Oil consumption, pollutant emission, oil proce volatility and economic activities in selected Asian Developing Economies.

    E-Print Network [OSTI]

    Rafiq, Shuddhasattwa

    2009-01-01T23:59:59.000Z

    ??It is now well established in the literature that oil consumption, oil price shocks, and oil price volatility may impact the economic activities negatively. Studies (more)

  2. Stochastic volatility models with persistent latent factors: theory and its applications to asset prices

    E-Print Network [OSTI]

    Lee, Hyoung Il

    2008-10-10T23:59:59.000Z

    consider the nonlinear nonstationary state-space model given by yt = radicalbig f(xt,?) ut, xt+1 = ?xt +vt+1,(2.1) where I make the following assumptions: Assumption 1: The volatility function is given by (2.2) f(xt,?) = + ?1+exp(??(x t ??)) , where ? = (.... Assumption 2: (xt) is a scalar latent volatility factor and |?| ? 1, I describe the volatility factor, (xt) explicitly in the transition equation because I am interested in the linkage between it and macro economic fundamentals. I assume that this volatility...

  3. E-Print Network 3.0 - airborne volatile organic Sample Search...

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

    predicting volatile organic concentration levels immediately downwind of wastewater treatment facilities... aeration which is used to increase the purification capacity also...

  4. E-Print Network 3.0 - acidos grasos volatiles Sample Search Results

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

    signal that triggers the release of plant volatiles; one or more elicitors from the oral secretion allow Source: Par, Paul W. - Department of Chemistry and Biochemistry, Texas...

  5. Volatilities of Actinide and Lanthanide N,NDimethylaminodiboranate Chemical Vapor Deposition

    E-Print Network [OSTI]

    Girolami, Gregory S.

    ,§ Gregory S. Girolami,*,§ Christopher J. Cramer, and Laura Gagliardi*, Department of Chemistry volatile forms during sublimation. INTRODUCTION Lanthanide-containing materials, such as lanthanide oxides

  6. 1 Emerging versus developed volatility indexes. The comparison of VIW20 and VIX index.1

    E-Print Network [OSTI]

    Robert ?lepaczuk; Grzegorz Zakrzewski

    Modeling of financial markets volatility is one of the most significant issues of contemporary finance, especially while analyzing high-frequency data. Accurate quantification and forecast of volatility are of immense importance in risk management (VaR models, stress testing and worst case scenario), models of capital market and options valuation techniques. What we show in this paper is the methodology for calculating volatility index for Polish capital market (VIW20 index anticipating expected volatility of WIG20 index). The methods presented are based on VIX index (VIX White Paper, 2003) and enriched with necessary modifications corresponding with the character of Polish options market. Quoted on CBOE, VIX index is currently known as the best measure of capital investment risk perfectly illustrating the level of fear and emotions of market participants. The conception of volatility index is based on combination of realized volatility and implied volatility which, using methodology of Derman et al. (1999) and reconstructing volatility surface, reflects both volatility smile as well as its term structure. The research is carried out using high-frequency data (i.e. tick data) for index options on WIG20 index for the period November 2003- May 2007, in other words, starting with the introduction of options by Warsaw Stock

  7. 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...

  8. 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.

  9. Mechanisms for plasma etching of HfO{sub 2} gate stacks with Si selectivity and photoresist trimming

    SciTech Connect (OSTI)

    Shoeb, Juline; Kushner, Mark J. [Department of Electrical and Computer Engineering, Iowa State University, Ames, Iowa 50011 (United States); Department of Electrical Engineering and Computer Science, University of Michigan, Ann Arbor, Michigan 48109-2122 (United States)

    2009-11-15T23:59:59.000Z

    To minimize leakage currents resulting from the thinning of the insulator in the gate stack of field effect transistors, high-dielectric constant (high-k) metal oxides, and HfO{sub 2} in particular, are being implemented as a replacement for SiO{sub 2}. To speed the rate of processing, it is desirable to etch the gate stack (e.g., metal gate, antireflection layers, and dielectric) in a single process while having selectivity to the underlying Si. Plasma etching using Ar/BCl{sub 3}/Cl{sub 2} mixtures effectively etches HfO{sub 2} while having good selectivity to Si. In this article, results from integrated reactor and feature scale modeling of gate-stack etching in Ar/BCl{sub 3}/Cl{sub 2} plasmas, preceded by photoresist trimming in Ar/O{sub 2} plasmas, are discussed. It was found that BCl{sub n} species react with HfO{sub 2}, which under ion impact, form volatile etch products such as B{sub m}OCl{sub n} and HfCl{sub n}. Selectivity to Si is achieved by creating Si-B bonding as a precursor to the deposition of a BCl{sub n} polymer which slows the etch rate relative to HfO{sub 2}. The low ion energies required to achieve this selectivity then challenge one to obtain highly anisotropic profiles in the metal gate portion of the stack. Validation was performed with data from literature. The effect of bias voltage and key reactant probabilities on etch rate, selectivity, and profile are discussed.

  10. 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)

  11. 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...

  12. 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.

  13. 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 1040 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 2225 K for H<sub>2sub> and 1013 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.

  14. Characterization of ternary compounds in the BaO:Fe{sub 2}O{sub 3}:TiO{sub 2} system: Ba{sub 6}Fe{sub 45}Ti{sub 17}O{sub 106} and BaFe{sub 11}Ti{sub 3}O{sub 23}

    SciTech Connect (OSTI)

    Vanderah, T.A.; Wong-Ng, W.; Toby, B.H.; Shull, R.D.; Roth, R.S. [National Inst. of Standards and Technology, Gaithersburg, MD (United States). Materials Science and Engineering Lab.] [National Inst. of Standards and Technology, Gaithersburg, MD (United States). Materials Science and Engineering Lab.; Browning, V.M. [Naval Research Lab., Washington, DC (United States)] [Naval Research Lab., Washington, DC (United States); Geyer, R.G. [National Inst. of Standards and Technology, Boulder, CO (United States)] [National Inst. of Standards and Technology, Boulder, CO (United States)

    1999-03-01T23:59:59.000Z

    Single crystals of Ba{sub 6}Fe{sub 45}Ti{sub 17}O{sub 106} and BaFe{sub 11}Ti{sub 3}O{sub 23} were obtained as major and minor coproducts, respectively, by slow-cooling an off-stoichiometric BaO:Fe{sub 2}O{sub 3}:TiO{sub 2} melt. The former compound exhibits variable stoichiometry, Ba{sub 6}Fe{sub 48{minus}x}Ti{sub 14+x}O{sub 106}, with the Fe:Ti ratio dependent upon the partial pressure of oxygen. The value of x corresponds to the equivalents of reduction that occur to maintain electroneutrality as the Ti-content increases. When prepared in air, this phase occurs at x = 3 with the stoichiometry Ba{sub 6}Fe{sub 45}Ti{sub 17}O{sub 106}, while in 100% oxygen the x-value approaches zero with the resulting stoichiometry Ba{sub 6}Fe{sub 48}Ti{sub 14}O{sub 106} (all Fe{sup 3+} and Ti{sup 4+}). The structures of Ba{sub 6}Fe{sub 45}Ti{sub 17}O{sub 106} and BaFe{sub 11}Ti{sub 3}O{sub 23} were solved using single-crystal X-ray diffraction methods. Ba{sub 6}Fe{sub 45}Ti{sub 17}O{sub 106} was prepared in polycrystalline form, and further structural details, including accurate Fe/Ti occupancy factors, were determined by a combined refinement using neutron and synchrotron powder diffraction data. (Ba{sub 6}Fe{sub 45}Ti{sub 17}O{sub 106}: Space group C2/m (No 12); a = 19.390(1) {angstrom}, b = 20.260(1) {angstrom}, c = 10.076(1) {angstrom}, {beta} = 105.27(1){degree}; V = 3818.5(3) {angstrom}{sup 3}; Z = 2; {rho}{sub calc} = 5.08 g/cm{sup 3}. Ba{sub 6}Fe{sub 11}Ti{sub 3}O{sub 23}: Space group C2/c (No 15); a = 19.56(1) {angstrom}, b = 8.6614(7) {angstrom}, c = 10.120(1) {angstrom}, {beta} = 105.62(1){degree}; V = 1651.1(3) {angstrom}{sup 3}; Z = 4; {rho}{sub calc} = 5.08 g/cm{sup 3}.) The magnetic behavior of Ba{sub 6}Fe{sub 45}Ti{sub 17}O{sub 106} above room temperature up to 1073 K was found to obey the Curie-Weiss law, which indicated a small effective magnetic moment (34 {mu}{sub B} per mole Ba{sub 6}Fe{sub 45}Ti{sub 17}O{sub 106}) and a large negative temperature intercept ({minus}806 K). Electrical resistivity measurements between room temperature and 120 K revealed nonmetallic behavior with an activation energy on the order of 0.17 eV. At 347 MHz under ambient conditions, Ba{sub 6}Fe{sub 45}Ti{sub 17}O{sub 106} exhibited a relative permittivity of 24 and a dielectric loss tangent of 0.10.

  15. 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.

  16. Synthesis and characterization of hybrid materials based on 1-butyl-3-methylimidazolium tetrafluoroborate ionic liquid and Dawson-type tungstophosphate K{sub 7}[H{sub 4}PW{sub 18}O{sub 62}].18H{sub 2}O and K{sub 6}[P{sub 2}W{sub 18}O{sub 62}].13H{sub 2}O

    SciTech Connect (OSTI)

    Ammam, Malika, E-mail: m78ammam@yahoo.f [Department of Metallurgy and Materials Engineering (MTM), K.U Leuven, Kasteelpark Arenberg 44, B-3001 Heverlee (Belgium); Fransaer, Jan [Department of Metallurgy and Materials Engineering (MTM), K.U Leuven, Kasteelpark Arenberg 44, B-3001 Heverlee (Belgium)

    2011-04-15T23:59:59.000Z

    In this study, we synthesized hybrid materials using well-Dawson polyoxometalates (POMs), K{sub 7}[H{sub 4}PW{sub 18}O{sub 62}].18H{sub 2}O or K{sub 6}[P{sub 2}W{sub 18}O{sub 62}].13H{sub 2}O and a room temperature ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate ([BMIM][BF{sub 4}]). K, W, P and CHN elemental analysis showed that one mole of [H{sub 4}PW{sub 18}O{sub 62}]{sup 7-} reacts with 6 moles of BMIM{sup +} and one mole of [P{sub 2}W{sub 18}O{sub 62}]{sup 6-} reacts with 4 moles of BMIM{sup +} to form, respectively, K[BMIM]{sub 6}H{sub 4}PW{sub 18}O{sub 62} and K{sub 2}[BMIM]{sub 4}P{sub 2}W{sub 18}O{sub 62}. X-ray diffraction illustrated amorphous structure of the hybrid materials. FT-IR spectra showed the presence of both 1-butyl-3-methylimidazolium cation and the Dawson anion. TG analysis displayed a relative thermal stability of the hybrid materials compared to the parents Dawson POMs. Cyclic voltammetry showed that the reduction peak potentials of the Dawson anion in the hybrid materials shift towards negative values and the shift is more pronounced for K[BMIM]{sub 6}H{sub 4}PW{sub 18}O{sub 62} compared to K{sub 2}[BMIM]{sub 4}P{sub 2}W{sub 18}O{sub 62}. This was attributed to a decrease in the acidity of the Dawson POM anion in the hybrid material. -- Graphical abstract: Powder XRD patterns of (a) PW{sub 18}, (b) K[BMIM]{sub 6}H{sub 4}PW{sub 18}O{sub 62}, (c) P{sub 2}W{sub 18}, and (d) K{sub 2}[BMIM]{sub 4}P{sub 2}W{sub 18}O{sub 62}. Display Omitted Research highlights: {yields} 1-butyl-3-methylimidazolium tetrafluoroborate([BMIM][BF{sub 4}]) reacts with K{sub 7}[H{sub 4}PW{sub 18}O{sub 62}].18H{sub 2}O to form K[BMIM]{sub 6}H{sub 4}PW{sub 18}O{sub 62}. {yields} [BMIM][BF{sub 4}] reacts with K{sub 6}[P{sub 2}W{sub 18}O{sub 62}].13H{sub 2}O to form K{sub 2}[BMIM]{sub 4}P{sub 2}W{sub 18}O{sub 62}. {yields} K[BMIM]{sub 6}H{sub 4}PW{sub 18}O{sub 62} and K{sub 2}[BMIM]{sub 4}P{sub 2}W{sub 18}O{sub 62} displayed amorphous structures. {yields} K[BMIM]{sub 6}H{sub 4}PW{sub 18}O{sub 62} and K{sub 2}[BMIM]{sub 4}P{sub 2}W{sub 18}O{sub 62} illustrated low water content. {yields} K[BMIM]{sub 6}H{sub 4}PW{sub 18}O{sub 62} and K{sub 2}[BMIM]{sub 4}P{sub 2}W{sub 18}O{sub 62} showed improved thermal stability.

  17. 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 ...

  18. 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.

  19. First principles calculations, neutron, and x-ray diffraction investigation of Y{sub 3}Ni{sub 13}B{sub 2}, Y{sub 3}Co{sub 13}B{sub 2}, and Y{sub 3}Ni{sub 10}Co{sub 3}B{sub 2}

    SciTech Connect (OSTI)

    Plugaru, N.; Valeanu, M. [National Institute of Materials Physics, Atomistilor Str. 105bis, Magurele-Bucharest 077125, P.O. Box MG-07, Ilfov (Romania); Plugaru, R., E-mail: rodica.plugaru@imt.ro [National Institute for R and D in Microtechnologies, Erou Iancu Nicolae Str. 126A, Bucharest 077190, P.O. Box 38-160 (Romania); Campo, J. [Material Science Institute of Aragon, University of Zaragoza, C.S.I.C., E-50009 Zaragoza (Spain)

    2014-01-14T23:59:59.000Z

    Fully relativistic calculations within the local spin density approximation and the generalized gradient approximation were performed to determine the local spin and orbital magnetic moments, as well as the magnetocrystalline anisotropy energy of Y{sub 3}Ni{sub 13}B{sub 2}, Y{sub 3}Co{sub 13}B{sub 2}, and Y{sub 3}Ni{sub 10}Co{sub 3}B{sub 2} compounds. A weak in-plane magnetic anisotropy is determined for Y{sub 3}Ni{sub 13}B{sub 2}, under the assumption of a crystallographic-like magnetic unit cell and collinear magnetic moments. The calculations predict considerable c-axis anisotropy for Y{sub 3}Co{sub 13}B{sub 2} and Y{sub 3}Ni{sub 10}Co{sub 3}B{sub 2}, but smaller than that of YCo{sub 5}. The values of the magnetocrystalline anisotropy energy correlate well with both the magnitude of the orbital magnetic moment and the orbital magnetic moment anisotropy. The mixing between Co or Ni 3d states and B 2p states, observable at the bottom of the valence band of the 3d metal having a boron atom nearest neighbor, decreases the 3d spin and especially, the 3d orbital magnetic moments. Y{sub 3}Ni{sub 13}B{sub 2} and Y{sub 3}Ni{sub 10}Co{sub 3}B{sub 2} were also investigated by powder neutron diffraction experiments, at temperatures between 1.8 and 249?K. The Co and Ni site averaged magnetic moments calculated in the mixed compound are in fair agreement with the values obtained by the refinement of the magnetic contribution to the diffraction pattern.

  20. Synthesis and morphology of Ba{sub 1-x}RE{sub 2x/3}Nb{sub 2}O{sub 6} nanocrystals with tungsten bronze structure in RE{sub 2}O{sub 3}-BaO-Nb{sub 2}O{sub 5}-B{sub 2}O{sub 3} glasses (RE: Sm, Eu, Gd, Dy, Er)

    SciTech Connect (OSTI)

    Ida, H.; Shinozaki, K.; Honma, T.; Oh-ishi, K. [Department of Materials Science and Technology, Nagaoka University of Technology, 1603-1 Kamitomioka-cho, Nagaoka 940-2188 (Japan)] [Department of Materials Science and Technology, Nagaoka University of Technology, 1603-1 Kamitomioka-cho, Nagaoka 940-2188 (Japan); Komatsu, T., E-mail: komatsu@mst.nagaokaut.ac.jp [Department of Materials Science and Technology, Nagaoka University of Technology, 1603-1 Kamitomioka-cho, Nagaoka 940-2188 (Japan)

    2012-12-15T23:59:59.000Z

    Ba{sub 1-x}RE{sub 2x/3}Nb{sub 2}O{sub 6} nanocrystals with a tetragonal tungsten bronze (TTB) structure are synthesized using a conventional glass crystallization technique in 2.3RE{sub 2}O{sub 3}-27.4BaO-34.3Nb{sub 2}O{sub 5}-36B{sub 2}O{sub 3} (mol%) (RE=Sm, Eu, Gd, Dy, and Er) glasses. One sharp crystallization peak is observed at {approx}670 Degree-Sign C in both powdered and bulk glasses, and the formation of Ba{sub 1-x}RE{sub 2x/3}Nb{sub 2}O{sub 6} nanocrystals with unit cell parameters of a{approx}1.24 nm and c{approx}0.39 nm was confirmed. It is found from high resolution transmission electron microscope observations that the morphology of Ba{sub 1-x}RE{sub 2x/3}Nb{sub 2}O{sub 6} nanocrystals is ellipsoidal. Their average particle size is in the range of 15-60 nm and decreases with decreasing ionic radius of RE{sup 3+} being present in the precursor glasses. The optical transparent crystallized glass (bulk) shows the total photoluminescence (PL) quantum yield of 53% in the visible region of Eu{sup 3+} ions, suggesting a high potential of Ba{sub 1-x}RE{sub 2x/3}Nb{sub 2}O{sub 6} nanocrystals as PL materials. - Graphical abstract: This figure shows a TEM photograph for the heat-treated (667 Degree-Sign C, 3 h) sample of 2.3Dy{sub 2}O{sub 3}-27.4BaO-34.3Nb{sub 2}O{sub 5}-36B{sub 2}O{sub 3}. An ellipsoidal-shaped Ba{sub 1-x}Dy{sub 2x/3}Nb{sub 2}O{sub 6} nanocrystal with diameters of 17 and 28 nm is observed. The ellipsoidal morphology is a common feature in Ba{sub 1-x}RE{sub 2x/3}Nb{sub 2}O{sub 6} nanocrystals synthesized by the crystallization of 2.3RE{sub 2}O{sub 3}-27.4BaO-34.3Nb{sub 2}O{sub 5}-36B{sub 2}O{sub 3} glasses. Highlights: Black-Right-Pointing-Pointer Ba{sub 1-x}RE{sub 2x/3}Nb{sub 2}O{sub 6} nanocrystals with a tetragonal tungsten bronze structure are synthesized. Black-Right-Pointing-Pointer A glass crystallization technique was applied. Black-Right-Pointing-Pointer The morphology of Ba{sub 1-x}RE{sub 2x/3}Nb{sub 2}O{sub 6} nanocrystals is ellipsoidal. Black-Right-Pointing-Pointer The average particle size with 15-60 nm decreases with decreasing ionic radius of RE{sup 3+}. Black-Right-Pointing-Pointer Ba{sub 1-x}RE{sub 2x/3}Nb{sub 2}O{sub 6} nanocrystals have a high potential as photoluminescence materials.

  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. Intra-daily variations in volatility and transaction costs in the Credit Default Swap market

    E-Print Network [OSTI]

    Del Moral , Pierre

    Intra-daily variations in volatility and transaction costs in the Credit Default Swap market Andras : Credit Default Swap, Intra-daily patterns, Stochastic transaction costs, Volatility, Interdealer market on the Microstructure of Financial Markets in Hong Kong, the 2008 Credit conference in Venice, the Third Annual Risk

  4. 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

  5. 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

  6. ORIGINAL ARTICLE Differential volatile emissions and salicylic acid levels from tobacco

    E-Print Network [OSTI]

    Raina, Ramesh

    pv. tabaci (Pstb), with tobacco plants resulted in a different volatile blend, consisting of MeORIGINAL ARTICLE Differential volatile emissions and salicylic acid levels from tobacco plants / Published online: 24 April 2003 ? Springer-Verlag 2003 Abstract Pathogen-induced plant responses include

  7. 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.

  8. 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 ...

  9. 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.

  10. 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})

  11. The extended chain compounds Ln {sub 12}(C{sub 2}){sub 3}I{sub 17} (Ln=Pr, Nd, Gd, Dy): Synthesis, structure and physical properties

    SciTech Connect (OSTI)

    Ryazanov, Mikhail [Max-Planck-Institut fuer Festkoerperforschung, Heisenbergstr. 1, D-70569 Stuttgart (Germany); Mattausch, Hansjuergen [Max-Planck-Institut fuer Festkoerperforschung, Heisenbergstr. 1, D-70569 Stuttgart (Germany); Simon, Arndt [Max-Planck-Institut fuer Festkoerperforschung, Heisenbergstr. 1, D-70569 Stuttgart (Germany)], E-mail: A.Simon@fkf.mpg.de

    2007-04-15T23:59:59.000Z

    The title compounds are obtained in high yield from stoichiometric mixtures of Ln, LnI{sub 3} and graphite, heated at 900-950 deg. C in welded Ta containers. The crystal structures of new Pr and Nd phases determined by single-crystal X-ray diffraction are related to those of other Ln {sub 12}(C{sub 2}){sub 3}I{sub 17}-type compounds (C 2/c, a=19.610(1) and 19.574(4) A, b=12.406(2) and 12.393(3) A, c=19.062(5) and 19.003(5) A, {beta}=90.45(3){sup o} and 90.41(3){sup o}, for Pr{sub 12}(C{sub 2}){sub 3}I{sub 17} and Nd{sub 12}(C{sub 2}){sub 3}I{sub 17}, respectively). All compounds contain infinite zigzag chains of C{sub 2}-centered metal atom octahedra condensed by edge-sharing into the [tcc] {sub {infinity}} sequence (c=cis, t=trans) and surrounded by edge-bridging iodine atoms as well as by apical iodine atoms that bridge between chains. The polycrystalline Gd{sub 12}(C{sub 2}){sub 3}I{sub 17} sample exhibits semiconducting thermal behavior which is consistent with an ionic formulation (Ln {sup 3+}){sub 12}(C{sub 2} {sup 6-}){sub 3}(I{sup -}){sub 17}(e{sup -}) under the assumption that one extra electron is localized in metal-metal bonding. The magnetization measurements on Nd{sub 12}(C{sub 2}){sub 3}I{sub 17}, Gd{sub 12}(C{sub 2}){sub 3}I{sub 17} and Dy{sub 12}(C{sub 2}){sub 3}I{sub 17} indicate the coexistence of competing magnetic interactions leading to spin freezing at T {sub f}=5 K for the Gd phase. The Nd and Dy compounds order antiferromagnetically at T {sub N}=25 and 29 K, respectively. For Dy{sub 12}(C{sub 2}){sub 3}I{sub 17}, a metamagnetic transition is observed at a critical magnetic field H{approx}25 kOe. - Graphical abstract: Zigzag chains of edge-sharing metal atom octahedra in Ln {sub 12}(C{sub 2}){sub 3}I{sub 17}.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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

  1. 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.

  2. 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}.

  3. Structural investigation in the TiB{sub 2}-(Na{sub 2}O.B{sub 2}O{sub 3}.Al{sub 2}O{sub 3}) system

    SciTech Connect (OSTI)

    Buixaderas, Elena, E-mail: buixader@fzu.c [Institute of Physics, Academy of Science of the Czech Republic, Dielectrics Department, Na Slovance 2, 18221 Prague 8 (Czech Republic); Maria Anghel, Elena, E-mail: manghel@icf.r [Institute of Physical Chemistry 'Ilie Murgulescu'of Romanian Academy, Molten Salts Department, Spl. Independentei 202, 060021 Bucharest (Romania); Petrescu, Simona [Institute of Physical Chemistry 'Ilie Murgulescu'of Romanian Academy, Molten Salts Department, Spl. Independentei 202, 060021 Bucharest (Romania); Osiceanu, Petre, E-mail: posic@icf.r [Institute of Physical Chemistry 'Ilie Murgulescu' of Romanian Academy, Laboratory of Catalysis and Surface Chemistry, Spl. Independentei 202, 060021 Bucharest (Romania)

    2010-09-15T23:59:59.000Z

    Composites in the TiB{sub 2}-Na{sub 2}O.B{sub 2}O{sub 3}.Al{sub 2}O{sub 3} systems, TiB{sub 2}-MBA (MB stands for sodium metaborate and A is Al{sub 2}O{sub 3}), were prepared by self-propagating high-temperature synthesis (SHS), in simultaneous mode. Selection of these compositions was ruled by the interesting properties of both TiB{sub 2} and double borates of alkali metal and aluminum. The structure of the obtained materials was evaluated by micro-Raman spectroscopy, from room temperature up to 600 {sup o}C, and X-ray photoelectron spectroscopy (XPS). Formation of the TiB{sub 2} and TiO{sub 2-x}B{sub x} phases along with TiO{sub 2} as rutile were identified as titanium speciation in the grain phase embedded in a sodium aluminum borate matrix. Integration of the Raman spectra of the grain phases revealed a TiB{sub 2} content of 16.99% and 23.32% for the two composite investigated 2TiB{sub 2}.2MBA and 3TiB{sub 2}.5MBA. A constrained-width model for the spectral deconvolution of the high-frequency Raman band was forwarded to calculate the proportion of tetrahedral boron atoms (7.424%) in the blank borate matrix Na{sub 2}B{sub 2}O{sub 4}.Al{sub 2}O{sub 3} in solid phase. - Graphical abstract: Deconvolution of the reduced Raman spectrum of the grain phase in TiB{sub 2}-(Na{sub 2}O.B{sub 2}O{sub 3}.Al{sub 2}O{sub 3}) composite along with its Raman micrographs collected at room temperature.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. Dielectric strength of gas mixtures comprising SF/sub 6/, CO, c-C/sub 4/-F/sub 8/ and SF/sub 6/, N/sub 2/, c-C/sub 4/F/sub 8/

    SciTech Connect (OSTI)

    Qiu, Y.; Kuffel, E.

    1983-05-01T23:59:59.000Z

    In a previous paper breakdown strengths of c-C/sub 4/F/sub 8//SF/sub 6//CO gas mixtures in various proportions were reported for a 30mm rod-sphere gap under ac and impulse voltages. A mixture of 1% c-C/sub 4/F/sub 8/ + 59% SF/sub 6/ + 40% CO exhibited higher dielectric strength than pure SF/sub 6/ in the pressure range between 350 and 400 kPa. The present paper compares CO and N/sub 2/ as a buffer in gas mixtures and extends the studies to a nearly uniform field gap and a highly non-uniform field gap. Additional experiments confirmed that the use of CO as a buffer in gas mixtures is superior to N/sub 2/ and that some c-C/sub 4/-F/sub 8//SF/sub 6//CO gas mixtures have higher dielectric strength and are cheaper than pure SF/sub 6/.

  10. 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.

  11. YBa sub 2 Cu sub 3 O sub 7 whiskers grown from the gas phase

    SciTech Connect (OSTI)

    Jaervinen, R.J.O.; Podkletnov, E.E.; Maentylae, T.A. (Tampere University of Technology, Insitute of Materials Science, P. O. Box 527, SF-33101 Tampere (Finland)); Laurilla, J.T.; Lepistoe, T.K. (Tampere University of Technology, Center for Electron Microscopy, P. O. Box 527, SF-33101 Tampere (Finland))

    1991-12-02T23:59:59.000Z

    YBa{sub 2}Cu{sub 3}O{sub 7} whiskers were grown by the {ital in} {ital situ} technique using radio frequency magnetron sputtering in Ar--O{sub 2} atmosphere at a substrate temperature of 720 {degree}C on (100) single crystal MgO substrate. High sputtering gas pressures were found to promote the formation of whiskers. Whiskers were found to start their growth from certain platelet crystals. The growth conditions for these whiskers are described and their structure is examined by analytical transmission electron microscope. These results seem to exclude the vapor--liquid--solid growth and propose direct condensation from the vapor.

  12. 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}.

  13. 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.

  14. 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.

  15. Crystal structure and electric properties of the organicinorganic 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, P1, a=7.2816 (5) , b=10.0996 (7) , c=10.0972 (7) , ?=74.368 (4), ?=88.046 (4), ?=85.974 (3), V=713.24 (9) {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.

  16. 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}.

  17. 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

  18. 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.

  19. Options introduction and volatility in the EU ETS1 Julien Chevallier 2

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    in the European Union Emissions Trading Scheme (EU ETS), the European Climate Exchange (ECX) has introduced option the introduction of options has increased or decreased volatility in the European Union Emissions Trading Sc

  20. 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 ...

  1. Volatilization of selected organic compounds from a creosote-waste land-treatment facility. Master's thesis

    SciTech Connect (OSTI)

    Scott, E.J.

    1989-01-01T23:59:59.000Z

    The purpose of this research was to evaluate the emissions of volatile and semi-volatile compounds which are constituents of a complex creosote waste from laboratory simulations of a land treatment system to assess the potential human exposure to hazardous compounds from this source. In addition, the Thibodeaux-Hwang Air Emission Release Rate (AERR) model was evaluated for its use in predicting emission rates of hazardous constituents of creosote wood preservative waste from land treatment facilities. A group of hazardous volatile and semi-volatile constituents present in the creosote waste was selected for evaluation in this study and included a variety of polynuclear aromatic hydrocarbons (PNA's), phenol, and chlorinated and substituted phenols.

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

    E-Print Network [OSTI]

    Benneke, Bjrn

    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 ...

  3. Electrospun Polyurethane Fibers for Absorption of Volatile Organic Compounds from Air

    E-Print Network [OSTI]

    Scholten, Elke

    Electrospun polyurethane fibers for removal of volatile organic compounds (VOC) from air with rapid VOC absorption and desorption have been developed. Polyurethanes based on 4,4-methylenebis(phenylisocyanate) (MDI) and ...

  4. Trapping of volatiles in amorphous water ice. R. M. E. Mastrapa , R. H. Brown

    E-Print Network [OSTI]

    Cohen, Barbara Anne

    were re- leased into the sample chamber at the same pressure as the water, measurements will be taken with a solar system composition gas with the proper ratios of water to volatile. References: [1] Bar-Nun, A., G

  5. Sensitivity of Investor Reaction to Market Direction and Volatility: The Case of Dividend Change Announcements

    E-Print Network [OSTI]

    Koch, Paul D.; Docking, Diane Scott

    2004-02-01T23:59:59.000Z

    This study examines whether investor reactions are sensitive to the recent direction and/or volatility of underlying market movements. We find dividend change announcements elicit a greater change in stock price when the ...

  6. 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 ...

  7. 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 ...

  8. Architectural Techniques For Managing Non-volatile Caches

    SciTech Connect (OSTI)

    Mittal, Sparsh [ORNL] ORNL

    2013-01-01T23:59:59.000Z

    As chip power dissipation becomes a critical challenge in scaling processor performance, computer architects are forced to fundamentally rethink the design of modern processors and hence, the chip-design industry is now at a major inflection point in its hardware roadmap. The high leakage power and low density of SRAM poses serious obstacles in its use for designing large on-chip caches and for this reason, researchers are exploring non-volatile memory (NVM) devices, such as spin torque transfer RAM, phase change RAM and resistive RAM. However, since NVMs are not strictly superior to SRAM, effective architectural techniques are required for making them a universal memory solution. This book discusses techniques for designing processor caches using NVM devices. It presents algorithms and architectures for improving their energy efficiency, performance and lifetime. It also provides both qualitative and quantitative evaluation to help the reader gain insights and motivate them to explore further. This book will be highly useful for beginners as well as veterans in computer architecture, chip designers, product managers and technical marketing professionals.

  9. 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

    with Lacrobacillus planrarum or Leuconostoc mesenteroides and stored for 28 days at 3'C included acetone, toluene, acetic acid, ethyl acetate, a hydrocarbon and CHCls. The profile of volatiles in packaged sterile loin tissue stored for 28 days was very similar.... , 1979, 1983; Vanderzant et al. , 1986). ~Although many studies have reported these off-odors, very little published information exists relative to the nature of the volatile aroma compounds which result from microbial or enzymatic activity during...

  10. 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...

  11. Combustion synthesized nanocrystalline Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C cathode for lithium-ion batteries

    SciTech Connect (OSTI)

    Nathiya, K.; Bhuvaneswari, D.; Gangulibabu [Central Electrochemical Research Institute, Karaikudi 630006 (India)] [Central Electrochemical Research Institute, Karaikudi 630006 (India); Kalaiselvi, N., E-mail: kalaiselvicecri@gmail.com [Central Electrochemical Research Institute, Karaikudi 630006 (India)

    2012-12-15T23:59:59.000Z

    Graphical abstract: Nanocrystalline Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C compound has been synthesized using a novel corn assisted combustion (CAC) method, wherein the composite prepared at 850 C is found to exhibit superior physical and electrochemical properties than the one synthesized at 800 C (Fig. 1). Despite the charge disproportionation of V{sup 4+} and a possible solid solution behavior of Li{sub 3}V{sub 2}(PO{sub 4}){sub 3} cathode upon insertion and de-insertion of Li{sup +} ions, the structural stability of the same is appreciable, even with the extraction of third lithium at 4.6 V (Fig. 2). An appreciable specific capacity of 174 mAh g{sup ?1} with an excellent columbic efficiency (99%) and better capacity retention upon high rate applications have been exhibited by Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C cathode, thus demonstrating the feasibility of CAC method in preparing the title compound to best suit with the needs of lithium battery applications. Display Omitted Highlights: ? Novel corn assisted combustion method has been used to synthesize Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C. ? Corn is a cheap and eco benign combustible fuel to facilitate CAC synthesis. ? Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C exhibits an appreciable specific capacity of 174 mAh g{sup ?1} (C/10 rate). ? Currently observed columbic efficiency of 99% is better than the reported behavior. ? Suitability of Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C cathode up to 10C rate is demonstrated. -- Abstract: Nanocrystalline Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C composite synthesized using a novel corn assisted combustion method at 850 C exhibits superior physical and electrochemical properties than the one synthesized at 800 C. Despite the charge disproportionation of V{sup 4+} and a possible solid solution behavior of Li{sub 3}V{sub 2}(PO{sub 4}){sub 3} cathode upon insertion and extraction of Li{sup +} ions, the structural stability of the same is appreciable, even with the extraction of third lithium at 4.6 V. An appreciable specific capacity of 174 mAh g{sup ?1} and better capacity retention upon high rate applications have been exhibited by Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C cathode, thus demonstrating the suitability of the same for lithium-ion battery applications.

  12. 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.

  13. A novel organicinorganic 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 matriaux et cristallochimie, Dpartement de chimie, Institut Suprieur des Sciences Appliques et Technologier, Avenue El Mourouj, 5111 Mahdia (Tunisia)] [Laboratoire de matriaux et cristallochimie, Dpartement de chimie, Institut Suprieur des Sciences Appliques et Technologier, Avenue El Mourouj, 5111 Mahdia (Tunisia); Ayed, Brahim, E-mail: brahimayed@yahoo.fr [Laboratoire de matriaux et cristallochimie, Dpartement de chimie, Institut Suprieur des Sciences Appliques et Technologier, Avenue El Mourouj, 5111 Mahdia (Tunisia)] [Laboratoire de matriaux et cristallochimie, Dpartement de chimie, Institut Suprieur des Sciences Appliques et Technologier, Avenue El Mourouj, 5111 Mahdia (Tunisia); Haddad, Amor [Laboratoire de matriaux et cristallochimie, Dpartement de chimie, Institut Suprieur des Sciences Appliques et Technologier, Avenue El Mourouj, 5111 Mahdia (Tunisia)] [Laboratoire de matriaux et cristallochimie, Dpartement de chimie, Institut Suprieur des Sciences Appliques et Technologier, Avenue El Mourouj, 5111 Mahdia (Tunisia)

    2012-11-15T23:59:59.000Z

    Graphical abstract: Display Omitted Highlights: ? Synthesis of a novel inorganicorganic hybrid compound based on Anderson polyoxomolybdates. ? Characterization by X-ray diffraction, IR and UVVis spectroscopies of the new compound. ? Potential applications in catalysis, biochemical analysis and electrical conductivity of the organicinorganic compound. -- Abstract: A new organicinorganic 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.

  14. 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 260 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>.

  15. Magnetic Excitation Spectrum of the Square Lattice S=1/2 Heisenberg Antiferromagnet K<sub>2sub>V>3sub>O>8sub>

    SciTech Connect (OSTI)

    Lumsden, Mark D [ORNL; Nagler, Stephen E [ORNL; Sales, Brian C [ORNL; Tennant, D. A. [ISIS Facility, Rutherford Appleton Laboratory; McMorrow, D. F. [Riso National Laboratory, Roskilde, Denmark; Lee, S.-H. [National Institute of Standards and Technology (NIST); Park, S. [National Institute of Standards and Technology (NIST)

    2006-01-01T23:59:59.000Z

    We have explored the magnetic excitation spectrum of the S=1/2 square lattice Heisenberg antiferromagnet, K{sub 2}V{sub 3}O{sub 8}, using both triple-axis and time-of-flight inelastic neutron scattering. The long-wavelength spin waves are consistent with the previously determined Hamiltonian for this material. A small energy gap of 72{+-}9 {micro}eV is observed at the antiferromagnetic zone center and the near-neighbor exchange constant is determined to be 1.08{+-}0.03 meV. A finite ferromagnetic interplanar coupling is observed along the crystallographic c axis with a magnitude of J{sub c}=-0.0036{+-}0.0006 meV. However, upon approaching the zone boundary, the observed excitation spectrum deviates significantly from the expectation of linear spin wave theory resulting in split modes at the ({pi}/2,{pi}/2) zone boundary point. The effects of magnon-phonon interaction, orbital degrees of freedom, multimagnon scattering, and dilution/site randomness are considered in the context of the mode splitting. Unfortunately, no fully satisfactory explanation of this phenomenon is found and further theoretical and experimental work is needed.

  16. The crystal structure and magnetic properties of Ba{sub 2?x}Sr{sub x}Co{sub 2}Fe{sub 12}O{sub 22}

    SciTech Connect (OSTI)

    Cho, Kwang Lae; Rhee, Chan Hyuk; 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

    We have synthesized the Ba{sub 2?x}Sr{sub x}Co{sub 2}Fe{sub 12}O{sub 22} samples (x?=?0.1, 0.2, 0.3, 0.4, 0.5) by the solid-state reaction method and investigated their crystalline and magnetic properties by X-ray diffractometer (XRD), Mssbauer spectrometer, vibrating sample magnetometer, and network analyzer. XRD patterns show that all samples are rhombohedral with space group R-3m. The lattice constants a{sub 0} and c{sub 0} decrease with Sr substitution due to smaller ion radius of Sr{sup 2+} (1.27?) than that of Ba{sup 2+} (1.43?). The Mssbauer spectroscopy measurements show that the relative area ratios of Fe ion were maintained constant regardless of the Sr concentration. However, average magnetic hyperfine field slightly increased with the Sr concentration. This observation agrees with the fact that the saturation magnetization (M{sub s}) linearly increases due to the increasing super-exchange interaction, originated from the difference in the ionic radius between Ba{sup 2+} and Sr{sup 2+}. To investigate its properties at high frequency range, all samples were sintered at 1100?C, and complex permeability and permittivity were measured by network analyzer between 100?MHz and 4?GHz. For x below 0.3, the initial permeability at 100?MHz increases, at higher values of x, its value decreases. Our study shows that magnetic properties of Sr{sup 2+} substitution for Ba{sup 2+} in Y-type hexaferrite as well as low magnetic loss less than 0.1 in 1?GHz band, indicating the potential application of Ba{sub 2?x}Sr{sub x}Co{sub 2}Fe{sub 12}O{sub 22} samples for RF and antenna devices in ultra high frequency band.

  17. 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.

  18. 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.

  19. 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 CeErO/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.

  20. 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.}

  1. 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 1.55 nm.

  2. 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 ??Ionic Liquids: Breakthrough Absorption Technology for Post-Combustion CO{sub 2} Capture?. 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 ?? and potentially slightly better than -?? 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.

  3. 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 .

  4. 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.

  5. 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.

  6. 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-JahnTeller 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 kagom fashion. Enhanced ferromagnetic ordering attributed to doping non-JahnTeller Mn{sup 4+}.

  7. 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)

  8. 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.

  9. 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.

  10. 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.

  11. 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 RntgenResearch Centre for Complex Material Systems, Universitt Wrzburg, Am Hubland, D-97074 Wrzburg (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 510{sup ?3} Scm{sup ?1} at 973 K and 1.710{sup ?4} Scm{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 ?, Scm{sup ?1}=2.23. The conductivity at 350 for y=0.2 solid solutions is equal to ?lg ?, Scm{sup ?1}=3.74.

  12. 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.

  13. Temperature-dependent frameworktemplate 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.

  14. Magnetic measurements and neutron diffraction study of the layered hybrid compounds Mn(C{sub 8}H{sub 4}O{sub 4})(H{sub 2}O){sub 2} and Mn{sub 2}(OH){sub 2}(C{sub 8}H{sub 4}O{sub 4})

    SciTech Connect (OSTI)

    Sibille, Romain, E-mail: romain.sibille@ijl.nancy-universite.fr [Institut Jean Lamour, UMR 7198-Nancy Universite, BP 70239, 54506 Vandoeuvre-les-Nancy Cedex (France); Mesbah, Adel; Mazet, Thomas; Malaman, Bernard [Institut Jean Lamour, UMR 7198-Nancy Universite, BP 70239, 54506 Vandoeuvre-les-Nancy Cedex (France); Capelli, Silvia [Institut Laue Langevin, 6 rue Jules Horowitz, 38042 Grenoble Cedex 9 (France); Francois, Michel [Institut Jean Lamour, UMR 7198-Nancy Universite, BP 70239, 54506 Vandoeuvre-les-Nancy Cedex (France)

    2012-02-15T23:59:59.000Z

    Mn(C{sub 8}H{sub 4}O{sub 4})(H{sub 2}O){sub 2} and Mn{sub 2}(OH){sub 2}(C{sub 8}H{sub 4}O{sub 4}) layered organic-inorganic compounds based on manganese(II) and terephthalate molecules (C{sub 8}H{sub 4}O{sub 4}{sup 2-}) have been studied by DC and AC magnetic measurements and powder neutron diffraction. The dihydrated compound behaves as a 3D antiferromagnet below 6.5 K. The temperature dependence of its {chi}T product is typical of a 2D Heisenberg system and allows determining the in-plane exchange constant J Almost-Equal-To -7.4 K through the carboxylate bridges. The magnetic structure confirms the in-plane nearest neighbor antiferromagnetic interactions and the 3D ordering. The hydroxide based compound also orders as a 3D antiferromagnet with a higher Neel temperature (38.5 K). Its magnetic structure is described from two antiferromagnetically coupled ferromagnetic sublattices, in relation with the two independent metallic sites. The isothermal magnetization data at 2 K are consistent with the antiferromagnetic ground-state of these compounds. However, in both cases, a slope change points to field-induced modification of the magnetic structure. - Graphical abstract: The macroscopic magnetic properties and magnetic structures of two metal-organic frameworks based on manganese (II) and terephthalate molecules are presented. Highlights: Black-Right-Pointing-Pointer Magnetic study of Mn(C{sub 8}H{sub 4}O{sub 4})(H{sub 2}O){sub 2} and Mn{sub 2}(OH){sub 2}(C{sub 8}H{sub 4}O{sub 4}). Black-Right-Pointing-Pointer Two compounds with common features (interlayer linker/distance, S=5/2 spin). Black-Right-Pointing-Pointer Magnetic measurements quantitatively analyzed to deduce exchange constants. Black-Right-Pointing-Pointer Magnetic structures determined from neutron powder diffraction experiments.

  15. 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.

  16. 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.

  17. Synthesis and characterization of Mg{sub 2}B{sub 2}O{sub 5}

    SciTech Connect (OSTI)

    Qasrawi, A.F. [Department of Electrical and Electronics Engineering, Atilim University, 06836 Ankara (Turkey)]. E-mail: atef_qasrawi@atilim.edu.tr; Kayed, T.S. [Department of Electrical and Electronics Engineering, Atilim University, 06836 Ankara (Turkey); Mergen, A. [Eti Maden isletmeleri Genel Mued., Marketing and Sales Department, Cihan Sok, No: 2, Ankara (Turkey); Guerue, M. [Gazi University, Faculty of Engineering, Chemical Engineering Department, Maltepe, Ankara (Turkey)

    2005-04-20T23:59:59.000Z

    Magnesium borate of the form Mg{sub 2}B{sub 2}O{sub 5} has been prepared and its structural and thermal properties were studied using X-ray diffraction and differential thermal analysis. An investigation of the electrical and optical properties of Mg{sub 2}B{sub 2}O{sub 5} system has been carried out. The electrical resistivity of the sample was measured in the temperature range of 170-400 K. The data analysis revealed an extrinsic nature of the conductivity with two impurity levels located at 0.13 and 0.71 eV in the temperature ranges of 170-230 K and 240-400 K, respectively. The optical transmission and reflection was recorded at 300 K in the incident photon energy range of 3.0-6.0 eV. The absorption coefficient data analysis revealed an indirect optical energy band gap of 4.73 eV. In addition, two impurity levels located at 3.43, and 4.49 eV were observed in the absorption spectra.

  18. 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

  19. 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 650750 nm in diameter and 120140 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.

  20. 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 Universit, Universit du Maine, CNRS UMR 6283, Institut des Molcules et Matriaux 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 233363?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.

  1. 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 Universit, Universit du Maine, CNRS UMR 6283, Institut des Molcules et Matriaux 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 203313?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.

  2. 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.

  3. Determination of Migration Parameters for Volatile Organic Compounds in Polyethylene Terephthalate and Nylon 6 by Dynamic Permeation Cell Method

    E-Print Network [OSTI]

    Heller, Barbara

    Determination of Migration Parameters for Volatile Organic Compounds in Polyethylene Terephthalate, such as low-density polyethylene (LDPE), high-density polyethylene (HDPE), and polypropylene (PP); however

  4. Vertical composition gradient effects on original hydrocarbon in place volumes and liquid recovery for volatile oil and gas condensate reservoirs.

    E-Print Network [OSTI]

    Jaramillo Arias, Juan Manuel

    2012-01-01T23:59:59.000Z

    ??Around the world, volatile oil and retrograde gas reservoirs are considered as complex thermodynamic systems and even more when they exhibit vertical composition variations. Those (more)

  5. 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.

  6. 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)

    Sveinbjrnsson, 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.

  7. Inorganic-organic hybrid structure: Synthesis, structure and magnetic properties of a cobalt phosphite-oxalate, [C{sub 4}N{sub 2}H{sub 12}][Co{sub 4}(HPO{sub 3}){sub 2}(C{sub 2}O{sub 4}){sub 3}

    SciTech Connect (OSTI)

    Mandal, Sukhendu [Framework Solids Laboratory, Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560012 (India); Natarajan, Srinivasan [Framework Solids Laboratory, Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560012 (India)]. E-mail: snatarajan@sscu.iisc.ernet.in

    2005-07-15T23:59:59.000Z

    A hydrothermal reaction of a mixture of cobalt (II) oxalate, phosphorous acid, piperazine and water at 150{sup o}C for 96h followed by heating at 180{sup o}C for 24h gave rise to a new inorganic-organic hybrid solid, [C{sub 4}N{sub 2}H{sub 12}][Co{sub 4}(HPO{sub 3}){sub 2}(C{sub 2}O{sub 4}){sub 3}], I. The structure consists of edge-shared CoO{sub 6} octahedra forming a [Co{sub 2}O{sub 10}] dimers that are connected by HPO{sub 3} and C{sub 2}O{sub 4} units forming a three-dimensional structure with one-dimensional channels. The amine molecules are positioned within these channels. The oxalate units have a dual role of connecting within the plane of the layer as well as out of the plane. Magnetic susceptibility measurement shows the compound orders antiferromagnetically at low temperature (T{sub N}=22K). Crystal data: I, monoclinic, space group=P2{sub 1}/c (No. 14). a=7.614(15), b=7.514(14), c=17.750(3)A, {beta}=97.351(3){sup o}, V=1007.30(3)A{sup 3}, Z=2, {rho}{sub calc}=2.466g/cm{sup 3}, {mu}{sub (MoK{alpha}}{sub )}=3.496mm{sup -1}, R{sub 1}=0.0310 and wR{sub 2}=0.0807 data [I>2{sigma}(I)].

  8. 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.

  9. Environmental Aspects of Two Volatile Organic Compound Groundwater Treatment Designs at the Rocky Flats Site - 13135

    SciTech Connect (OSTI)

    Michalski, Casey C.; DiSalvo, Rick; Boylan, John [Stoller LMS Team, 11025 Dover Street, Suite 1000, Westminster, CO 80021 (United States)] [Stoller LMS Team, 11025 Dover Street, Suite 1000, Westminster, CO 80021 (United States)

    2013-07-01T23:59:59.000Z

    DOE's Rocky Flats Site in Colorado is a former nuclear weapons production facility that began operations in the early 1950's. Because of releases of hazardous substances to the environment, the federally owned property and adjacent offsite areas were placed on the CERCLA National Priorities List in 1989. The final remedy was selected in 2006. Engineered components of the remedy include four groundwater treatment systems that were installed before closure as CERCLA-accelerated actions. Two of the systems, the Mound Site Plume Treatment System and the East Trenches Plume Treatment System, remove low levels of volatile organic compounds using zero-valent iron media, thereby reducing the loading of volatile organic compounds in surface water resulting from the groundwater pathway. However, the zero-valent iron treatment does not reliably reduce all volatile organic compounds to consistently meet water quality goals. While adding additional zero-valent iron media capacity could improve volatile organic compound removal capability, installation of a solar powered air-stripper has proven an effective treatment optimization in further reducing volatile organic compound concentrations. A comparison of the air stripper to the alternative of adding additional zero-valent iron capacity to improve Mound Site Plume Treatment System and East Trenches Plume Treatment System treatment based on several key sustainable remediation aspects indicates the air stripper is also more 'environmentally friendly'. These key aspects include air pollutant emissions, water quality, waste management, transportation, and costs. (authors)

  10. Oxidation and Volatilization from Tungsten Brush High Heat Flux Armor During High Temperature Steam Exposure

    SciTech Connect (OSTI)

    Smolik, Galen Richard; Pawelko, Robert James; Anderl, Robert Andrew; Petti, David Andrew

    2000-05-01T23:59:59.000Z

    Tungsten brush accommodates thermal stresses and high heat flux in fusion reactor components such as plasma facing surfaces or armor. However, inherently higher surface areas are introduced with the brush design. We have tested a specific design of tungsten brush in steam between 500 and 1100C. Hydrogen generation and tungsten volatilization rates were determined to address fusion safety issues. The brush prepared from 3.2-mm diameter welding rods had a packing density of 85 percent. We found that both hydrogen generation and tungsten volatilization from brush, fixtured to represent a unit within a larger component, were less than projections based upon the total integrated surface area (TSA). Steam access and the escape of hydrogen and volatile oxide from void spaces within the brush are restricted compared to specimens with more direct diffusion pathways to the test environment. Hydrogen generation rates from restrained specimens based on normal surface area (NSA) remain about five times higher than rates based on total surface areas from specimens with direct steam access. Volatilization rates from restrained specimens based upon normal surface area (NSA) were only 50 percent higher than our historic cumulative maximum flux plot (CMFP) for tungsten. This study has shown that hydrogen generation and tungsten volatilization from brush do not scale according to predictions with previously determined rates, but in fact, with higher packing density could approach those from flat surfaces.

  11. 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.

  12. Low energy N{sub 2} ion bombardment for removal of (HfO{sub 2}){sub x}(SiON){sub 1-x} in dilute HF

    SciTech Connect (OSTI)

    Hwang, Wan Sik; Cho, Byung-Jin; Chan, Daniel S. H.; Yoo, Won Jong [Silicon Nano Device Laboratory, Department of Electrical and Computer Engineering, National University of Singapore, E4A 02-04, Engineering Drive 3, 117576 Singapore (Singapore); SKKU Advanced Institute of Nanotechnology (SAINT) and Department of Mechanical Engineering, Sungkyunkwan University 300 Cheoncheon-dong, Jangan-gu, Suwon, Gyeonggi-do 440-746 (Korea, Republic of)

    2007-07-15T23:59:59.000Z

    The ion assisted wet removal of (HfO{sub 2}){sub x}(SiON){sub 1-x} high dielectric constant (k) materials and its effect on electrical properties were investigated. Crystallization temperature of (HfO{sub 2}){sub x}(SiON){sub 1-x} increased as the percentage of SiON increased. The crystallized (HfO{sub 2}){sub 0.6}(SiON){sub 0.4} was damaged and turned to an amorphous film via incorporation of N species into the film by N{sub 2} plasma treatment. In addition, the structure of (HfO{sub 2}){sub 0.6}(SiON){sub 0.4} was disintegrated into HfO{sub 2}, SiO(N), and ON after N{sub 2} plasma treatment. N{sub 2} plasmas using low bias power were applied for wet removal of high-k films and the mechanism of the ion assisted wet removal process was explored. When high bias power was applied, the surface of source and drain regions was nitrided via the reaction between N and Si substrates. Feasibility of the low bias power assisted wet removal process was demonstrated for short channel high-k metal oxide semiconductor device fabrication by the smaller shift of threshold voltage, compared to the high bias power assisted wet removal process as well as the wet-etching-only process.

  13. 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 Nel 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.

  14. 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.

  15. 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 .

  16. 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.

  17. 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.

  18. 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.

  19. X-ray diffraction study of (TlInSe{sub 2}){sub 1-x}(TlGaTe{sub 2}){sub x} crystal system

    SciTech Connect (OSTI)

    Sheleg, A. U., E-mail: sheleg@ifttp.bas-net.by; Zub, E. M.; Yachkovskii, A. Ya. [National Academy of Sciences of Belarus, State Scientific and Production Association, Scientific and Practical Materials Research Center (Belarus); Mustafaeva, S. N.; Kerimova, E. M. [Azerbaijan National Academy of Sciences, Institute of Physics (Azerbaijan)

    2012-03-15T23:59:59.000Z

    The crystallographic and dynamic characteristics of TlInSe{sub 2} and TlGaTe{sub 2} crystals have been studied by X-ray diffraction in the temperature range of 85-320 K. The temperature dependences of the unit-cell parameters a of TlInSe{sub 2} and TlGaTe{sub 2} crystals, as well as their coefficients of thermal expansion along the [100] direction, are determined. The concentration dependences of the unit-cell parameters a and c for (TlInSe{sub 2}){sub 1-x}(TlGaTe{sub 2}){sub x} crystals are measured. Anomalies are found in the temperature dependences of the unit-cell parameters a and, correspondingly, the coefficient of thermal expansion, indicating the existence of phase transitions in TlInSe{sub 2} and TlGaTe{sub 2} crystals.

  20. 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.; Fssler, 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 1315th 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) , c=10.185(1) , R{sub 1}=0.045, 85 F{sup 2} values, 8 variable parameters for CaFe{sub 2}Si{sub 2}; a=4.0590(2) , c=9.9390(8) , 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) , c=9.9841(3) , 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) , c=10.395(1) , 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 ironpnictide 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 ironpnictide 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.

  1. 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}.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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...

  9. 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...

  10. Effect of Ag on the peritectic decomposition of Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub x}

    SciTech Connect (OSTI)

    Margulies, L.; Dennis, K.W.; Kramer, M.J.; McCallum, R.W. [Ames Lab., IA (United States)

    1995-12-31T23:59:59.000Z

    During the melt processing of superconducting wires and tapes a number of partial liquid phase regions are entered, and the type and amount of second phases that exist in the melt before cooling are critical in determining the microstructure of the final material. Decomposition pathway of Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub x}(Bi2212) with 0, 2, and 10 wt% Ag added was examined at 1 bar PO{sub 2} by performing SAME/EDS analysis on oil quenched samples. A variety of quaternary phase diagrams were constructed to describe the evolution of the phase assemblage with temperature. At all Ag contents, Bi2212 first undergoes a peritectic reaction producing (Sr{sub 1-x}Ca{sub x}){sub 14}Cu{sub 24}O{sub 41}(14,24), Bi{sub 2}(Sr{sub 1-x}Ca{sub x}){sub 4}O{sub x}(24x), and liquid.

  11. 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}.

  12. 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.

  13. Hydrothermal synthesis and the crystal structure of borate cancrinite (Na,Ca){sub 2}[Na{sub 6}(AlSiO{sub 4}){sub 6}](BO{sub 3}) . 2H{sub 2}O

    SciTech Connect (OSTI)

    Shirinova, A. F. [Baku State University (Azerbaijan)], E-mail: afashf@rambler.ru; Khrustalev, V. N. [Russian Academy of Sciences, Nesmeyanov Institute of Organoelement Compounds (Russian Federation); Samedov, H. R. [National Academy of Sciences of Azerbaijan, Institute of Chemical Problems (Azerbaijan); Chiragov, M. I. [Baku State University (Azerbaijan)

    2006-01-15T23:59:59.000Z

    Transparent prismatic single crystals of borate cancrinite (Na,Ca){sub 2}[Na{sub 6}(AlSiO{sub 4}){sub 6}](BO{sub 3}) . 2H{sub 2}O are prepared through hydrothermal crystallization. The parameters of the hexagonal unit cell and intensities of 10806 reflections are measured on an Enraf-Nonius CAD4 automated diffractometer. The compound crystallizes in the hexagonal crystal system with the unit cell parameters a = 12.745(4) A, c = 5.180(2) A, V = 728.6(4) A{sup 3}, and space group P6{sub 3}. The structure is determined by direct methods and refined using the full-matrix least-squares procedure in the anisotropic approximation for the non-hydrogen atoms. The refinement of the structure is performed to the final discrepancy factor R{sub 1} = 0.027 for 2889 unique reflections with I > 2 {sigma} (I). In the structure of the borate cancrinite, the AlO{sub 4} and SiO{sub 4} tetrahedra form a zeolite-like framework in which twelve-membered hexagonal channels are occupied by sodium atoms and BO{sub 3} groups, whereas six-membered channels are filled with sodium and calcium atoms and water molecules. The mean interatomic distances are found to be as follows: (Si-O){sub mean} = 1.614 A and (Al-O){sub mean} = 1.741 A in the AlO{sub 4} and SiO{sub 4} tetrahedra, (Na-O){sub mean} = 2.542 A in the seven-vertex sodium polyhedra, and [(Na,Ca)-O]{sub mean} = 2.589 A in the ditrigonal bipyramids.

  14. An Analysis of Price Volatility in Different Spot Markets for Electricity in the U.S.A.

    E-Print Network [OSTI]

    An Analysis of Price Volatility in Different Spot Markets for Electricity in the U.S.A. by Tim important feature. Spot prices for electricity have been very volatile with dramatic price spikes occurring insight into the behavior of spot prices for electricity, and in particular, to model the type

  15. Monitoring of volatile organic pollutants in groundwater by passive diffusive bags (PDBs) Catherine Berho, Anne Togola, Benjamin

    E-Print Network [OSTI]

    Paris-Sud XI, Universit 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

  16. 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}.

  17. 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.

  18. 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.

  19. 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,

  20. Correlation Between Grain and Grain-Boundary Critical Current Densities in ex situ Coated Conductors with Variable YBa<sub>2sub>Cu>3sub>O>7- ?sub> Layer Thickness

    SciTech Connect (OSTI)

    Palau, A. [ICMAB, Barcelona, Spain; Puig, T. [ICMAB, Barcelona, Spain; Obradors, X. [ICMAB, Barcelona, Spain; Feenstra, Roeland [ORNL; Gapud, Albert Agcaoili [ORNL

    2006-01-01T23:59:59.000Z

    The dependence of the percolative critical current density at low magnetic fields on YBa{sub 2}Cu{sub 3}O{sub 7-{delta}} (YBCO) layer thickness is studied by comparing grain, J{sub c}{sup G}, and grain-boundary, J{sub c}{sup GB}, critical current densities for a series of ex situ processed YBCO films on a RABiTS template. Both critical current densities decrease as a function of thickness and the values of J{sub c}{sup G} and J{sub c}{sup GB} show a clear correlation which suggests the existence of an interaction between Abrikosov-Josephson vortices on the grain boundaries and Abrikosov vortices in the bulk of the grains. This opens the possibility to improve J{sub c}{sup GB} by optimizing the pinning capabilities of the grains.

  1. Composition dependence of the photophysical and photocatalytic properties of (AgNbO{sub 3}){sub 1-x}(NaNbO{sub 3}){sub x} solid solutions

    SciTech Connect (OSTI)

    Li Guoqiang [Photocatalytic Materials Center (PCMC), National Institute for Materials Science (NIMS), 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Department of Materials Science and Engineering, Nanjing University, Nanjing 210093 (China); Ecomaterials and Renewable Energy Research Center (ERERC), Department of Physics, Nanjing University, Nanjing 210093 (China); Kako, Tetsuya; Wang Defa [Photocatalytic Materials Center (PCMC), National Institute for Materials Science (NIMS), 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Zou Zhigang [Department of Materials Science and Engineering, Nanjing University, Nanjing 210093 (China); Ecomaterials and Renewable Energy Research Center (ERERC), Department of Physics, Nanjing University, Nanjing 210093 (China); Ye Jinhua [Photocatalytic Materials Center (PCMC), National Institute for Materials Science (NIMS), 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan)], E-mail: Jinhua.YE@nims.go.jp

    2007-10-15T23:59:59.000Z

    A series of orthorhombic photocatalysts (AgNbO{sub 3}){sub 1-x}(NaNbO{sub 3}){sub x} solid solutions have been synthesized by a solid-state reaction method. The composition dependence of the photophysical and photocatalytic properties of synthesized solid solutions has been investigated systematically. With an increase in the content of NaNbO{sub 3}, we found that (1) the lattice parameters decreased; (2) the Nb-O bond length in NbO{sub 6} octahedron reduced; (3) the band gap increased; and (4) the mean particle size decreased while the Brunauer-Emmett-Teller (BET) surface area increased. Photocatalytic activities of the (AgNbO{sub 3}){sub 1-x}(NaNbO{sub 3}){sub x} (0{<=}x{<=}0.5) samples were evaluated from gaseous 2-propanol (IPA) decomposition into acetone and CO{sub 2} under visible-light irradiation emitted from blue-light-emitting diodes (BLEDs; light intensity: 0.01 mW cm{sup -2}). Among all the samples, the (AgNbO{sub 3}){sub 0.6}(NaNbO{sub 3}){sub 0.4} sample showed the highest photocatalytic activity. - Graphical abstract: A series of orthorhombic photocatalysts (AgNbO{sub 3}){sub 1-x}(NaNbO{sub 3}){sub x} solid solutions have been synthesized by a solid-state reaction method. The composition dependence of the photophysical and photocatalytic properties of synthesized solid solutions has been investigated systematically. The solid solutions show higher visible-light photocatalytic activities for gaseous IPA decomposition in comparison with AgNbO{sub 3}, although the light intensity is 0.01 mW cm{sup -2}. Rate of acetone evolution under visible-light irradiation as a function of NaNbO{sub 3} content in (AgNbO{sub 3}){sub 1-x}(NaNbO{sub 3}){sub x}. The inset is the spectrum of BLEDs. The light intensity is 0.01 mW cm{sup -2}.

  2. 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.

  3. Synthesis and nonlinear optical properties of BaTi(BO{sub 3}){sub 2} and Ba{sub 3}Ti{sub 3}O{sub 6}(BO{sub 3}){sub 2} crystals in glasses with high TiO{sub 2} contents

    SciTech Connect (OSTI)

    Kosaka, Shinji [Department of Chemistry, Nagaoka University of Technology, 1603-1Kamitomioka-cho, Nagaoka 940-2188 (Japan); Benino, Yasuhiko [Department of Chemistry, Nagaoka University of Technology, 1603-1Kamitomioka-cho, Nagaoka 940-2188 (Japan); Fujiwara, Takumi [Department of Chemistry, Nagaoka University of Technology, 1603-1Kamitomioka-cho, Nagaoka 940-2188 (Japan); Dimitrov, Vesselin [Department of Silicate Technology, University of Chemical Technology and Metallurgy, 8 Kl, Ohridki Blvd., Sofia 1756 (Bulgaria); Komatsu, Takayuki [Department of Chemistry, Nagaoka University of Technology, 1603-1Kamitomioka-cho, Nagaoka 940-2188 (Japan)]. E-mail: komatsu@chem.nagaokaut.ac.jp

    2005-06-15T23:59:59.000Z

    The ternary BaO-TiO{sub 2}-B{sub 2}O{sub 3} glasses containing a large amount of TiO{sub 2} (20-40mol%) are prepared, and their optical basicities ({lambda}), the formation, structural features and second-order optical nonlinearities of BaTi(BO{sub 3}){sub 2} and Ba{sub 3}Ti{sub 3}O{sub 6}(BO{sub 3}){sub 2} crystals are examined to develop new nonlinear optical materials. It is found that the glasses with high TiO{sub 2} contents of 30-40mol% show large optical basicities of {lambda}=0.81-0.87, suggesting the high polarizabity of TiO{sub n} polyhedra (n=4-6) in the glasses. BaTi(BO{sub 3}){sub 2} and Ba{sub 3}Ti{sub 3}O{sub 6}(BO{sub 3}){sub 2} crystals are found to be formed as main crystalline phases in the glasses. It is found that BaTi(BO{sub 3}){sub 2} crystals tend to orient at the surface of crystallized glasses. The new XRD pattern for the Ba{sub 3}Ti{sub 3}O{sub 6}(BO{sub 3}){sub 2} phase is proposed through Rietvelt analysis. The second harmonic intensities of crystallized glasses were found to be 0.8 times as large as {alpha}-quartz powders, i.e., I{sup 2{omega}}(sample)/I{sup 2{omega}}({alpha}-quartz)=0.8, for the sample with BaTi(BO{sub 3}){sub 2} crystals and to be I{sup 2{omega}}(sample)/I{sup 2{omega}}({alpha}-quartz)=68 for the sample with Ba{sub 3}Ti{sub 3}O{sub 6}(BO{sub 3}){sub 2} crystals. The Raman scattering spectra for these two crystalline phases are measured for the first time and their structural features are discussed.

  4. 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.

  5. Optical constants and crystal chemical parameters of Sc{sub 2}W{sub 3}O{sub 12}

    SciTech Connect (OSTI)

    Shannon, Robert D., E-mail: bob@theshannons.net [Geological Sciences/CIRES, University of Colorado, Boulder, CO 80309 (United States); Medenbach, Olaf [Institut fuer Mineralogie, Fakultaet fuer Geowissenschaften, Ruhr-Universitaet Bochum, Universitaetsstrasse 150, D-44780 Bochum (Germany)] [Institut fuer Mineralogie, Fakultaet fuer Geowissenschaften, Ruhr-Universitaet Bochum, Universitaetsstrasse 150, D-44780 Bochum (Germany); Mizoguchi, Hiroshi; Subramanian, M.A. [Department of Chemistry, Oregon State University, Corvallis, OR 97331-4003 (United States)] [Department of Chemistry, Oregon State University, Corvallis, OR 97331-4003 (United States); Fischer, Reinhard X. [Universitaet Bremen, FB 5 Geowissenschaften, Klagenfurter Strasse, D-28359 Bremen (Germany)] [Universitaet Bremen, FB 5 Geowissenschaften, Klagenfurter Strasse, D-28359 Bremen (Germany)

    2012-02-15T23:59:59.000Z

    Highlights: Black-Right-Pointing-Pointer Single crystal growth of Sc{sub 2}W{sub 3}O{sub 12}. Black-Right-Pointing-Pointer Optical constants of Sc{sub 2}W{sub 3}O{sub 12} redetermined. Black-Right-Pointing-Pointer Difference between obs. and calc. polarizabilities attributed to crystal structure. -- Abstract: The refractive indices of Sc{sub 2}W{sub 3}O{sub 12}, measured at wavelengths of 435.8-643.8 nm, were used to calculate n{sub a} = 1.7331, n{sub b} = 1.7510, n{sub c} = 1.7586 at {lambda} = 589.3 nm and n{sub {infinity}} values at {lambda} = {infinity} from a one-term Sellmeier equation. Mean refractive indices, Left-Pointing-Angle-Bracket n{sub D} Right-Pointing-Angle-Bracket , and mean dispersion values, Left-Pointing-Angle-Bracket A Right-Pointing-Angle-Bracket , are, respectively, 1.7475 and 110 Multiplication-Sign 10{sup -16} m{sup 2}. Total electronic polarizabilities, {alpha}{sub obs}, were calculated from n{sub {infinity}} and the Lorenz-Lorentz equation. The unusually large difference between the observed polarizability of 28.415 Angstrom-Sign {sup 3} and the calculated total polarizability {alpha}{sub T} of 26.74 Angstrom-Sign {sup 3} ({Delta} = +6.3%) is attributed to (1) a large M-O-W angle, and (2) a high degree of W 5d-O 2p and Sc nd-O 2p hybridization, where n signifies unspecified Sc d orbitals.

  6. 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.

  7. 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.

  8. Hydrothermal synthesis, structure and magnetic properties of a new three-dimensional iron arsenate [C{sub 6}N{sub 4}H{sub 21}][Fe{sup III}{sub 3}(HAsO{sub 4}){sub 6}

    SciTech Connect (OSTI)

    Rao, Vandavasi Koteswara [Framework Solids Laboratory, Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560 012 (India); Natarajan, Srinivasan [Framework Solids Laboratory, Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560 012 (India)]. E-mail: snatarajan@sscu.iisc.ernet.in

    2006-05-25T23:59:59.000Z

    A hydrothermal reaction of a mixture of iron oxalate, arsenic pentoxide, hydrofluoric acid and triethylenetetramine (TETA) at 150deg. C for 48h gives rise to a new iron arsenate [C{sub 6}N{sub 4}H{sub 21}][Fe{sub 3}(HAsO{sub 4}){sub 6}], I. The structure consists of a network of FeO{sub 6} and AsO{sub 4} building units connected through their vertices giving rise to a new secondary building unit, SBU-5. The SBU-5 units are through their corners forming a three-dimensional structure possessing one-dimensional channels bound by 8-T atoms (T=Fe, As). The formation of SBU-5 units is noteworthy. Variable temperature magnetic studies indicate antiferromagnetic interactions between the Fe centers with T{sub N} of 21.9K. Crystal data: M=1156.36, monoclinic, space group=C2/c (no. 15), a=18.422(3)A, b=8.8527(13)A, c=16.169(2)A, {beta}=111.592(2){sup o}, V=2451.9(6)A{sup 3}, Z=8, {rho}{sub calc}=3.037gcm{sup -3}, {mu}(Mo K{alpha})=9.903mm{sup -1}, R{sub 1}=0.0358, wR{sub 2}=0.0763, S=1.140 for 234 parameters.

  9. Rational design of gold catalysts with enhanced thermal stability: post modification of Au/TiO<sub>2sub> by amorphous SiO<sub>2sub> matrix

    SciTech Connect (OSTI)

    Zhu, Haoguo [ORNL; Ma, Zhen [ORNL; Overbury, Steven {Steve} H [ORNL; Dai, Sheng [ORNL

    2007-01-01T23:59:59.000Z

    Au/TiO{sub 2} is highly active for CO oxidation, but it often suffers from sintering in high-temperature environments. In this work, we report on a novel design of gold catalysts, in which pre-formed Au/TiO{sub 2} catalysts were post decorated by amorphous SiO{sub 2} to suppress the agglomeration of gold particles. Even after being aged in O{sub 2}-He at 700 C, the SiO{sub 2}-decorated Au/TiO{sub 2} was still active for CO oxidation at ambient temperature.

  10. Transport properties of discontinuous Co{sub 80}Fe{sub 20}/Al{sub 2}O{sub 3} multilayers, prepared by ion beam sputtering

    SciTech Connect (OSTI)

    Kakazei, G.N.; Freitas, P.P.; Cardoso, S.; Lopes, A.M.L.; Pereira de Azevedo, M.M.; Pogorelov, Y.G.; Sousa, J.B.

    1999-09-01T23:59:59.000Z

    Ion beam sputtered Co{sub 80}Fe{sub 20}(t)/Al{sub 2}O{sub 3}(30 {angstrom}) multilayers were obtained. The Co{sub 80}Fe{sub 20} layers become discontinuous for nominal thicknesses T {le} 18{angstrom}. Tunnel magnetoresistance was measured in CIP and CPP geometries, reaching up to 6.5% at room temperature and 11% at 15 K, for as-deposited films in CIP geometry. The temperature dependence of MR was found quite different for the two geometries: fairly strong in the CIP case and almost absent in the CPP geometry. A model is proposed to explain these large differences in behavior.

  11. 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

  12. 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...

  13. ESTIMATING THE VOLATILITY OF SPOT PRICES IN RESTRUCTURED ELECTRICITY MARKETS AND THE IMPLICATIONS FOR OPTION VALUES

    E-Print Network [OSTI]

    Draft 1e ESTIMATING THE VOLATILITY OF SPOT PRICES IN RESTRUCTURED ELECTRICITY MARKETS path. Accurate valuation of claims based on competitive electricity prices has proved problematic, as electricity price data are not well represented by traditional commodity price models of Brownian motion

  14. 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

  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. 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

  17. Fluid saturation and volatile partitioning between melts and hydrous fluids in crustal magmatic systems: The contribution

    E-Print Network [OSTI]

    Boyer, Edmond

    systems, experimental results on the solubility and partitioning of H2O, CO2, S, Cl, F and a few other ......................................................................... 2 Keywords: magmatic volatiles, solubility, water, carbon dioxide, sulfur, halogens 2 1 systems: The contribution of experimental measurements and solubility models Don R. Baker1 and Marina

  18. 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

  19. Lunar apatite with terrestrial volatile abundances Jeremy W. Boyce1,2

    E-Print Network [OSTI]

    Perfect, Ed

    is a high-Al basalt rich in K, rare-earth elements and P (KREEP), consisting dominantly of augite is texturally associated with anhedral apatite having variable Cl and rare-earth-element con- tents is thought to be depleted relative to the Earth in volatile elements such as H, Cl and the alkalis1

  20. 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

  1. 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

  2. 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

  3. 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 UVvis diffuse reflectance spectroscopy (UVvis 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}.

  4. 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.

  5. Spillover sites on a 19% Ni/Al sub 2 O sub 3 catalyst

    SciTech Connect (OSTI)

    Sen, B.; Falconer, J.L. (Univ. of Colorado, Boulder (USA))

    1989-06-01T23:59:59.000Z

    Two distinct methanation sites are clearly identified on a 19% Ni/Al{sub 2}O{sub 3} catalyst by temperature-programmed reaction (TPR) employing isotope labeling. The two sites, which are present after reduction at 975 K, are due to CO adsorption on Ni crystallites and CO and H spillover onto the Al{sub 2}O{sub 3} support. The concentration of sites on the support is 250 {mu}mol/G Al{sub 2}O{sub 3} (5 {times} 10{sup 13} molecules/cm{sup 2}), which is the same value measured for a 5.1% Ni/Al{sub 2}O{sub 3} catalyst and for a 1.0% Ru/Al{sub 2}O{sub 3} catalyst. Temperature-programmed desorption suggest that the CO and H on the Al{sub 2}O{sub 3} are in the form of a H-CO complex. The formation of this complex is an activated process, which is related to the activated adsorption of H{sub 2}. The H{sub 2} that adsorbs between 300 and 385 K is responsible for this spillover process onto the Al{sub 2}O{sub 3}. Isotope labeling and TPR were used to verify that a H-CO complex does not form on Ni/SiO{sub 2} catalysts. Carbon monoxide adsorption on Ni/SiO{sub 2} was not activated and only one methanation site was seen.

  6. 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.

  7. 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.

  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 structures of the new diphosphates, K{sub 2}NiP{sub 2}O{sub 7} and K{sub 6}Sr{sub 2}Ni{sub 5}(P{sub 2}O{sub 7}){sub 5}

    SciTech Connect (OSTI)

    ElMaadi, A.; Boukhari, A.; Holt, E.M. [Oklahoma State Univ., Stillwater, OK (United States)

    1995-09-01T23:59:59.000Z

    Crystalline K{sub 2}NiP{sub 2}O{sub 7} (I): monoclinic, P{sub 2}{sub 1}, a = 9.230(2), b = 17.540(8), c = 8.319(9){angstrom}, {beta} = 91.44(2){degrees}, Z = 8, d{sub calc} = 3.067 g cm{sup -3}, {lambda}MoK{sub {alpha}} = 0.71069{angstrom}, R/R{sub w} = 6.5/9.4%, is characterized by the existence of face sharing NiO{sub 6} octahedra with Ni-Ni separation of 2.827{angstrom} (Ni-O; 1.93(2) - 2.17(2){angstrom}). K{sup +} is seen in sites of seven, six, and fivefold coordination (K-O, averages; 2.83(2), 2.81(2), and 2.77(2){angstrom}, respectively). P{sub 2}O{sub 7}{sup 4-} groups are observed in semieclipsed conformation. K{sub 6}Sr{sub 2}Ni{sub 5}(P{sub 2}O{sub 7}){sub 5} (II) crystallizes in monoclinic space group P2{sub 1}/c; a = 11.038(7), b = 9.533(13), c = 7.438(2){angstrom}, {beta} = 100.13(4){degrees}, D{sub calc} = 3.309 g cm{sup -3}, Z = 2, R/R{sub w} = 6.4/8.1%. Nickel atoms are distributed on planes parallel to the crystallographic (100) plane at x = 0 and x = 0.5. On the planes, x = 0, Ni{sup 2+} ions form successive linked trimers of edge sharing NiO{sub 6} octahedra (Ni-Ni, 3.018(1), 3.008(1){angstrom}; Ni-O, av 2.07(2){angstrom}). The intermediate planes (x=0.5) contain isolated and six coordinate Ni{sup 2+} ions (Ni-O av. 2.09(2){angstrom}). Seven-coordinate potassium ions (K-O, av. 2.74(2){angstrom}) are located on intermediate planes at x = 0.25 and 0.75. P{sub 2}O{sub 7}{sup 4-} groups are found in eclipsed conformation. Strontium atoms are located between nickel and potassium planes and are surrounded by seven oxygen atoms (Sr-O, av. 2.586(2){angstrom}).

  10. 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 }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.

  11. 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.

  12. Synthesis, Growth, and Properties of TlGa{sub 1-x}Yb{sub x}S{sub 2} Crystals

    SciTech Connect (OSTI)

    Kerimova, E.M.; Mustafaeva, S.N.; Asadov, Yu.G.; Kerimov, R.N. [Institute of Physics, National Academy of Sciences, pr. Dzhavida 33, Baku, 370143 (Azerbaijan)

    2005-12-15T23:59:59.000Z

    The synthesis of TlGa{sub 1-x}Yb{sub x}S{sub 2} single crystals with the partial substitution of ytterbium for gallium is described. Variations in the electric conductivity of grown crystals irradiated with X-rays of various intensities are measured.

  13. Topology and glass structure evolution in (BaO){sub x}((B{sub 2}O{sub 3}){sub 32}(SiO{sub 2}){sub 68}){sub 100?x} ternaryEvidence of rigid, intermediate, and flexible phases

    SciTech Connect (OSTI)

    Holbrook, C. [AFRL/RYDP, 2241 Avionics Circle, B620, Wright-Patterson AFB, Ohio 45433-7707 (United States)] [AFRL/RYDP, 2241 Avionics Circle, B620, Wright-Patterson AFB, Ohio 45433-7707 (United States); Chakraborty, Shibalik; Ravindren, S.; Boolchand, P. [Department of Electrical and Computing Systems, College of Engineering and Applied Science, University of Cincinnati, Cincinnati, Ohio 45221-0030 (United States)] [Department of Electrical and Computing Systems, College of Engineering and Applied Science, University of Cincinnati, Cincinnati, Ohio 45221-0030 (United States); Goldstein, Jonathan T.; Stutz, C. E. [AFRL/RXAN, 3005 Hobson Way, B651, Wright-Patterson AFB, Ohio 45433-7707 (United States)] [AFRL/RXAN, 3005 Hobson Way, B651, Wright-Patterson AFB, Ohio 45433-7707 (United States)

    2014-04-14T23:59:59.000Z

    We examine variations in the glass transition temperature (T{sub g}(x)), molar volume (V{sub m}(x)), and Raman scattering of titled glasses as a function of modifier (BaO) content in the 25% < x < 48% range. Three distinct regimes of behavior are observed; at low x, 24% < x < 29% range, the modifier largely polymerizes the backbone, T{sub g}(x) increase, features that we identify with the stressed-rigid elastic phase. At high x, 32% < x < 48% range, the modifier depolymerizes the network by creating non-bridging oxygen (NBO) atoms; in this regime T{sub g}(x) decreases, and networks are viewed to be in the flexible elastic phase. In the narrow intermediate x regime, 29% < x < 32% range, T{sub g}(x) shows a broad global maximum almost independent of x, and Raman mode scattering strengths and mode frequencies become relatively x-independent, V{sub m}(x) show a global minimum, features that we associate with the isostatically rigid elastic phase, also called the intermediate phase. In this phase, medium range structures adapt as revealed by the count of Lagrangian bonding constraints and Raman mode scattering strengths.

  14. 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.

  15. Silicate layer formation at Pr{sub 2}O{sub 3}/Si(001) interfaces

    SciTech Connect (OSTI)

    Schmeisser, D.; Muessig, H.-J.; Dabrowski, J. [Angewandte Physik-Sensorik, BTU Cottbus, Postfach 10 13 44, D-03013 Cottbus (Germany); IHP, Im Technologiepark 25, D-15236 Frankfurt (Germany)

    2004-07-05T23:59:59.000Z

    We studied Pr{sub 2}O{sub 3}/Si(001) interfaces by synchrotron radiation photoelectron spectroscopy and by ab initio calculations. We show that the interface formed during molecular-beam epitaxy under the oxygen partial pressure above 1x10{sup -8} mbar consists of a mixed Si-Pr oxide, such as (Pr{sub 2}O{sub 3})(SiO){sub x}(SiO{sub 2}){sub y}. Neither an interfacial SiO{sub 2} nor an interfacial silicide is formed. The silicate formation is driven by a low energy of O in a PrOSi bond and by the strain in the subsurface SiO{sub x} layer. We expect that this natural interfacial Pr silicate will facilitate the integration of the high-k dielectric Pr{sub 2}O{sub 3} into future complementary metal-oxide-semiconductor technologies.

  16. Band offsets in HfO{sub 2}/InGaZnO{sub 4} heterojunctions

    SciTech Connect (OSTI)

    Cho, Hyun [Department of Nanomechatronics Engineering, Pusan National University, Gyeongnam 627-706 (Korea, Republic of); Douglas, E. A.; Gila, B. P.; Craciun, V.; Lambers, E. S.; Pearton, S. J. [Department of Materials Science and Engineering, University of Florida, Gainesville, Florida 32611 (United States); Ren Fan [Department of Chemical Engineering, University of Florida, Gainesville, Florida 32611 (United States)

    2012-01-02T23:59:59.000Z

    The valence band discontinuity ({Delta}E{sub V}) of sputter deposited HfO{sub 2}/InZnGaO{sub 4} (IGZO) heterostructures was obtained from x-ray photoelectron spectroscopy measurements. The HfO{sub 2} exhibited a bandgap of 6.07 eV from absorption measurements. A value of {Delta}E{sub V} = 0.48 {+-} 0.025 eV was obtained by using the Ga 2p{sub 3/2}, Zn 2p{sub 3/2}, and In 3d{sub 5/2} energy levels as references. This implies a conduction band offset {Delta}E{sub C} of 2.39 eV in HfO{sub 2}/InGaZnO{sub 4} heterostructures and a nested interface band alignment.

  17. Structural and conductivity studies of CsKSO{sub 4}Te(OH){sub 6} and Rb{sub 1.25}K{sub 0.75}SO{sub 4}Te(OH){sub 6} materials

    SciTech Connect (OSTI)

    Chabchoub, N. [Laboratoire de Physique Appliquee, Faculte des Sciences de Sfax, 3018 Sfax (Tunisia)]. E-mail: nizar_chabchoub@yahoo.fr; Darriet, J. [Institut de Chimie de la Matiere Condensee de Bordeaux, ICMCB-CNRS, 33608 Pessac cedex (France); Khemakhem, H. [Laboratoire de Physique Appliquee, Faculte des Sciences de Sfax, 3018 Sfax (Tunisia)

    2006-07-15T23:59:59.000Z

    The crystal structures of the title compounds were solved using the single-crystal X-ray diffraction technique. At room temperature CsKSO{sub 4}Te(OH){sub 6} was found to crystallize in the monoclinic system with Pn space group and lattice parameters: a=12.5463(6)A; b=6.5765(2)A; c=12.6916(7)A; {beta}=106.53(2){sup o}; V=1003.914(4)A{sup 3}; Z=4 and D{sub calc.}=3.29g/cm{sup 3}. The structural refinement has led to a reliability factor of R{sub 1}=0.0284 (wR{sub 2}=0.064) for 7577 independent reflections. Rb{sub 1.25}K{sub 0.75}SO{sub 4}Te(OH){sub 6} material possesses a monoclinic structure with space group P2{sub 1}/a and cell parameters: a=11.3411(6)A; b=6.5819(2)A; c=13.5730(8)A; {beta}=106.860(10){sup o}; V=969.62(10)A{sup 3}; Z=4 and D=3.16(3)g/cm{sup 3}. The residuals are R{sub 1}=0.0297 and wR{sub 2}=0.0776 for 3336 independent reflections. The main interest of these structures is the presence of two different and independent anionic groups (TeO{sub 6}{sup 6-} and SO{sub 4}{sup 2-}) in the same crystal. Complex impedance measurements (Z*=Z{sup '}-iZ{sup '}') have been undertaken in the frequency and temperature ranges 20-10{sup 6}Hz and 400-600K, respectively. The dielectric relaxation is studied in the complex modulus formalism M*.

  18. 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.

  19. 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.

  20. 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}.

  1. Effective passivation of In{sub 0.2}Ga{sub 0.8}As by HfO{sub 2} surpassing Al{sub 2}O{sub 3} via in-situ atomic layer deposition

    SciTech Connect (OSTI)

    Chang, Y. H.; Chiang, T. H. [Department of Materials Science and Engineering, National Tsing Hua University, Hsinchu 30013, Taiwan (China); Lin, C. A.; Liu, Y. T.; Lin, H. Y.; Huang, M. L.; Kwo, J. [Department of Physics, National Tsing Hua University, Hsinchu 30013, Taiwan (China); Lin, T. D.; Hong, M. [Graduate Institute of Applied Physics and Department of Physics, National Taiwan University, Taipei 10617, Taiwan (China); Pi, T. W. [National Synchrotron Radiation Research Center, Hsinchu 30076, Taiwan (China)

    2012-10-22T23:59:59.000Z

    High {kappa} gate dielectrics of HfO{sub 2} and Al{sub 2}O{sub 3} were deposited on molecular beam epitaxy-grown In{sub 0.2}Ga{sub 0.8}As pristine surface using in-situ atomic-layer-deposition (ALD) without any surface treatment or passivation layer. The ALD-HfO{sub 2}/p-In{sub 0.2}Ga{sub 0.8}As interface showed notable reduction in the interfacial density of states (D{sub it}), deduced from quasi-static capacitance-voltage and conductance-voltage (G-V) at room temperature and 100 Degree-Sign C. More significantly, the midgap peak commonly observed in the D{sub it}(E) of ALD-oxides/In{sub 0.2}Ga{sub 0.8}As is now greatly diminished. The midgap D{sub it} value decreases from {>=}15 Multiplication-Sign 10{sup 12} eV{sup -1} cm{sup -2} for ALD-Al{sub 2}O{sub 3} to {approx}2-4 Multiplication-Sign 10{sup 12} eV{sup -1} cm{sup -2} for ALD-HfO{sub 2}. Further, thermal stability at 850 Degree-Sign C was achieved in the HfO{sub 2}/In{sub 0.2}Ga{sub 0.8}As, whereas C-V characteristics of Al{sub 2}O{sub 3}/p-In{sub 0.2}Ga{sub 0.8}As degraded after the high temperature annealing. From in-situ x-ray photoelectron spectra, the AsO{sub x}, which is not the oxidized state from the native oxide, but is an induced state from adsorption of trimethylaluminum and H{sub 2}O, was found at the ALD-Al{sub 2}O{sub 3}/In{sub 0.2}Ga{sub 0.8}As interface, while that was not detected at the ALD-HfO{sub 2}/In{sub 0.2}Ga{sub 0.8}As interface.

  2. 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 PE 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 JahnTeller ions like Cu. Hence, JahnTeller effect in the ferrite leads to polarization in the piezoelectric phase.

  3. Improvement in oil recovery using cosolvents with CO{sub 2} gas floods

    SciTech Connect (OSTI)

    Raible, C.

    1992-01-01T23:59:59.000Z

    This report presents the results of investigations to improve oil recovery using cosolvents in CO{sub 2} gas floods. Laboratory experiments were conducted to evaluate the application and selection of cosolvents as additives to gas displacement processes. A cosolvent used as a miscible additive changed the properties of the supercritical gas phase. Addition of a cosolvent resulted in increased viscosity and density of the gas mixture, and enhanced extraction of oil compounds into the CO{sub 2} rich phase. Gas phase properties were measured in an equilibrium cell with a capillary viscometer and a high pressure densitometer. A number of requirements must be considered in the application of a cosolvent. Cosolvent miscibility with CO{sub 2}, brine solubility, cosolvent volatility and relative quantity of the cosolvent partitioning into the oil phase were factors that must be considered for the successful application of cosolvents. Coreflood experiments were conducted with selected cosolvents to measure oil recovery efficiency. The results indicate lower molecular weight additives, such as propane, are the most effective cosolvents to increase oil recovery.

  4. Improvement in oil recovery using cosolvents with CO sub 2 gas floods

    SciTech Connect (OSTI)

    Raible, C.

    1992-01-01T23:59:59.000Z

    This report presents the results of investigations to improve oil recovery using cosolvents in CO{sub 2} gas floods. Laboratory experiments were conducted to evaluate the application and selection of cosolvents as additives to gas displacement processes. A cosolvent used as a miscible additive changed the properties of the supercritical gas phase. Addition of a cosolvent resulted in increased viscosity and density of the gas mixture, and enhanced extraction of oil compounds into the CO{sub 2} rich phase. Gas phase properties were measured in an equilibrium cell with a capillary viscometer and a high pressure densitometer. A number of requirements must be considered in the application of a cosolvent. Cosolvent miscibility with CO{sub 2}, brine solubility, cosolvent volatility and relative quantity of the cosolvent partitioning into the oil phase were factors that must be considered for the successful application of cosolvents. Coreflood experiments were conducted with selected cosolvents to measure oil recovery efficiency. The results indicate lower molecular weight additives, such as propane, are the most effective cosolvents to increase oil recovery.

  5. 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.

  6. The effect of Ag on the decomposition pathway of Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub x} in air

    SciTech Connect (OSTI)

    Margulies, L.; Dennis, K.W.; Kramer, M.J.; McCallum, R.W. [Ames Lab., IA (United States)]|[Iowa State Univ., Ames, IA (United States). Dept. of Materials Science and Engineering

    1996-05-01T23:59:59.000Z

    The decomposition pathway of Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub x} (Bi2212) in .21 bar O{sub 2} with 0, 2, and 10 wt.% Ag added has been determined by performing SEM/EDS and microprobe analysis on oil quenched samples. A series of quaternary phase diagrams were constructed to describe the evolution of the phase assemblage with temperature. It was found that the first decomposition products are Bi{sub 9}Sr{sub 11}Ca{sub 5}O{sub x} (9{und 11}5), (Sr{sub 1{minus}x}Ca{sub x})CuO{sub 2} (11), and liquid. The addition of Ag acted to depress the first peritectic temperature by 16--20 C and slightly modified the order in which some of the subliquidus solid phases nucleate and decompose. The effect of C on the peritectic melting temperature was examined through thermal analysis of powder samples.

  7. COMPOSITE ARCHITECTURES FOR SUB-600 DEGREE CELSIUS

    E-Print Network [OSTI]

    COMPOSITE ARCHITECTURES FOR SUB-600 DEGREE CELSIUS FUEL CELLS Prepared For: California Energy (EISG) PROGRAM FEASIBILITY ANALYSIS REPORT (FAR) COMPOSITE ARCHITECTURES FOR SUB-600o C FUEL CELLS EISG 1 Composite Architectures For Sub-600 O C Fuel Cells EISG Grant # 99-35 Awardee: University

  8. 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>.

  9. 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, Xian 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.

  10. Infrared spectra and tunneling dynamics of the N{sub 2}D{sub 2}O and OCD{sub 2}O complexes in the v{sub 2} bend region of D{sub 2}O

    SciTech Connect (OSTI)

    Zhu, Yu; Zheng, Rui; Li, Song; Yang, Yu; Duan, Chuanxi, E-mail: cxduan@phy.ccnu.edu.cn [College of Physical Science and Technology, Central China Normal University, Wuhan 430079 (China)] [College of Physical Science and Technology, Central China Normal University, Wuhan 430079 (China)

    2013-12-07T23:59:59.000Z

    The rovibrational spectra of the N{sub 2}D{sub 2}O and OCD{sub 2}O complexes in the v{sub 2} bend region of D{sub 2}O have been measured in a supersonic slit jet expansion using a rapid-scan tunable diode laser spectrometer. Both a-type and b-type transitions were observed for these two complexes. All transitions are doubled, due to the heavy water tunneling within the complexes. Assuming the tunneling splittings are the same in K{sub a} = 0 and K{sub a} = 1, the band origins, all three rotational and several distortion constants of each tunneling state were determined for N{sub 2}D{sub 2}O in the ground and excited vibrational states, and for OCD{sub 2}O in the excited vibrational state, respectively. The averaged band origin of OCD{sub 2}O is blueshifted by 2.241 cm{sup ?1} from that of the v{sub 2} band of the D{sub 2}O monomer, compared with 1.247 cm{sup ?1} for N{sub 2}D{sub 2}O. The tunneling splitting of N{sub 2}D{sub 2}O in the ground state is 0.16359(28) cm{sup ?1}, which is about five times that of OCD{sub 2}O. The tunneling splittings decrease by about 26% for N{sub 2}D{sub 2}O and 23% for OCD{sub 2}O, respectively, upon excitation of the D{sub 2}O bending vibration, indicating an increase of the tunneling barrier in the excited vibrational state. The tunneling splittings are found to have a strong dependence on intramolecular vibrational excitation as well as a weak dependence on quantum number K{sub a}.

  11. Phase coexistence in the mixed crystal Rb[sub 1-x](NH[sub 4])[sub x]H[sub 2]AsO[sub 4

    SciTech Connect (OSTI)

    Pinto, N.J.

    1992-01-01T23:59:59.000Z

    A study of the coexistence phenomenon in mixed crystals of rubidium ammonium dihydrogen arsenate has been done. Coexistence in this study refers to the simultaneous presence of ferroelectric and proton glass phases as temperature is lowered below the ferroelectric phase transition temperature T[sub c]. Such coexistence is found to exist in these mixed crystals only for small ammonium concentrations. The results show that coexistence exists for lower ammonium concentration than previously suggested. A study was also done on crystals with larger ammonium concentrations that show pure proton glass behavior and the results compared with the coexistence phenomenon. Dielectric, spontaneous polarization and nuclear magnetic resonance experiments on mixed crystals with small ammonium concentrations show that at low temperatures there exists intimate coexistence of ferroelectric clusters with proton glass clusters below the glass transition temperature T[sub g]. In the proton glass phase, it is observed that a spread of relaxation times due to the creation and annihilation of HAsO[sub 4] and H[sub 3]AsO[sub 4] pairs as they diffuse through the crystal. Spin lattice relaxation times for the acid deuterons in a 10% ammoniated sample show a broad T[sub 1] minimum near the glass transition temperature which is characteristic of proton glasses. Field-cooling experiments were also done on the pure proton glass. The results are consistent with dielectric measurements, but the remanent polarization was found to be extremely small. This polarization was found to depend on the rate of heating and cooling the sample while performing the experiment.

  12. 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 448490 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 250450 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.

  13. 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.

  14. Magnetic ordering in the ammoniated fulleride (ND{sub 3})K{sub 3}C{sub 60}

    SciTech Connect (OSTI)

    Prassides, K.; Margadonna, S.; Arcon, D.; Lappas, A.; Shimoda, Hideo; Iwasa, Yoshihiro

    1999-12-08T23:59:59.000Z

    Intercalation of C{sub 60} with alkali metals leads to superconducting compositions A{sub 3}C{sub 60} (A = alkali metal) with critical temperatures as high as 33 K, surpassed only by the high-{Tc} superconducting cuprates. It is well established that {Tc} increases monotonically with increasing interfullerene separation, d, as the density of states at the Fermi level, N({epsilon}{sub F}) increases. Of paramount importance is the search for new materials with larger lattice parameters in order to establish whether {Tc} can be driven to higher values or the anticipated band narrowing will lead to electron localization and a transition to a Mott insulator. Ammoniation has proven an excellent method to achieve large expansions of the fulleride unit cells, as neutral NH{sub 3} molecules coordinate to the alkali ions, leading to large effective radii for the (NH{sub 3}){sub x}A{sup +} species.

  15. Initial phases in sputter deposited HfO{sub 2}-Al{sub 2}O{sub 3} nanolaminate films

    SciTech Connect (OSTI)

    Hoppe, E. E.; Aita, C. R.; Gajdardziska-Josifovska, M. [Advanced Coatings Experimental Laboratory, University of Wisconsin-Milwaukee, P.O. Box 784, Milwaukee, Wisconsin 53201 (United States); Department of Physics and Laboratory for Surface Studies, University of Wisconsin-Milwaukee, P.O. Box 413, Milwaukee, Wisconsin 53201 (United States)

    2007-11-12T23:59:59.000Z

    Nanolaminate films of crystalline HfO{sub 2} and amorphous Al{sub 2}O{sub 3} were grown by reactive sputter deposition on unheated fused SiO{sub 2} and the surface oxide of <111> Si. X-ray diffraction showed the amount of monoclinic (m) HfO{sub 2} decreased with decreasing HfO{sub 2} layer thickness, consistent with a finite crystal size effect. High resolution transmission electron microscopy of individual crystallites detected tetragonal (t) and orthorhombic (o) HfO{sub 2} as the initial phases formed. Whereas the t{yields}m transition is accomplished by a shear mechanism, we demonstrate the important role of polysynthetic twinning for the o{yields}m transition.

  16. 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.

  17. 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.

  18. Site occupancy and cation binding states in reduced polycrystalline Sr{sub x}Ba{sub 1?x}Nb{sub 2}O{sub 6}

    SciTech Connect (OSTI)

    Dandeneau, Christopher S., E-mail: dandec@u.washington.edu; Yang, YiHsun; Ohuchi, Fumio S. [Department of Materials Science and Engineering, University of Washington, Seattle, Washington 98195 (United States)] [Department of Materials Science and Engineering, University of Washington, Seattle, Washington 98195 (United States); Krueger, Benjamin W.; Olmstead, Marjorie A. [Department of Physics, University of Washington, Seattle, Washington 98195 (United States)] [Department of Physics, University of Washington, Seattle, Washington 98195 (United States); Bordia, Rajendra K. [Department of Materials Science and Engineering, Clemson University, Clemson, South Carolina 29634 (United States)] [Department of Materials Science and Engineering, Clemson University, Clemson, South Carolina 29634 (United States)

    2014-03-10T23:59:59.000Z

    Site occupancy and cation binding states in the proposed thermoelectric n-type oxide Sr{sub x}Ba{sub 1?x}Nb{sub 2}O{sub 6} (SBN100x) were investigated using X-ray photoelectron spectroscopy (XPS). Sr 3d XPS spectra from unreduced polycrystalline SBN100x with various compositions contained two distinct spin-orbit doublets corresponding to Sr occupying either A1 or A2 positions in the SBN lattice; the higher binding energy state was associated with Sr ions at A2 sites, presumably due to their increased coordination over Sr at A1 sites. To gain insight into optimizing the thermoelectric properties of reduced SBN, sintered SBN50 specimens were reduced in Ar/H{sub 2} or N{sub 2}/H{sub 2} ambient. A decrease in the average Nb valence was observed in Nb 3d photoemission through the growth of low-binding energy components after reduction in either environment; evidence of surface NbN formation was apparent with longer reducing times in N{sub 2}/H{sub 2}. Both the single-component Ba 3d emission and the A2 component of the Sr 3d spectra show shifting to lower binding energy as the reduction time is increased, supporting the hypothesis of preferential oxygen vacancy formation adjacent to A2 sites. X-ray diffraction patterns revealed the formation of NbO{sub 2} in both reducing environments; in the case of extended reduction in N{sub 2}/H{sub 2}, NbO{sub 2} is gradually converted to NbN phases. Given the known properties of metallic NbN and semiconducting NbO{sub 2}, the findings obtained here may be used to maximize the thermoelectric performance of SBN via the fabrication of composite structures containing both NbO{sub 2} and NbN.

  19. Defect kinetics in spinels: Long-time simulations of MgAl{sub 2}O{sub 4}, MgGa{sub 2}O{sub 4}, and MgIn{sub 2}O{sub 4}

    SciTech Connect (OSTI)

    Uberuaga, B. P.; Voter, A. F.; Sickafus, K. E. [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Bacorisen, D.; Smith, Roger [Department of Mathematical Sciences, Loughborough University, Loughborough, Leicestershire LE11 3TU (United Kingdom); Ball, J. A.; Grimes, R. W. [Department of Materials, Imperial College, Prince Consort Road, London SW7 2BP (United Kingdom)

    2007-03-01T23:59:59.000Z

    Building upon work in which we examined defect production and stability in spinels, we now turn to defect kinetics. Using temperature accelerated dynamics (TAD), we characterize the kinetics of defects in three spinel oxides: magnesium aluminate MgAl{sub 2}O{sub 4}, magnesium gallate MgGa{sub 2}O{sub 4}, and magnesium indate MgIn{sub 2}O{sub 4}. These materials have varying tendencies to disorder on the cation sublattices. In order to understand chemical composition effects, we first examine defect kinetics in perfectly ordered, or normal, spinels, focusing on point defects on each sublattice. We then examine the role that cation disorder has on defect mobility. Using TAD, we find that disorder creates local environments which strongly trap point defects, effectively reducing their mobility. We explore the consequences of this trapping via kinetic Monte Carlo (KMC) simulations on the oxygen vacancy (V{sub O}) in MgGa{sub 2}O{sub 4}, finding that V{sub O} mobility is directly related to the degree of inversion in the system.

  20. 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.

  1. 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}).

  2. 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.

  3. 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.

  4. 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

  5. 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 500700 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.

  6. Growth and crystal structure of binary molybdate CsFe(MoO{sub 4}){sub 2}

    SciTech Connect (OSTI)

    Bazarov, B. G., E-mail: jbaz@binm.bscnet.ru; Namsaraeva, T. V. [Russian Academy of Sciences, Baikal Institute of Nature Management, Siberian Branch (Russian Federation); Klevtsova, R. F., E-mail: klev@che.nsk.su; Anshits, A. G. [Russian Academy of Sciences, Institute of Inorganic Chemistry, Siberian Branch (Russian Federation); Vereshchagina, T. A. [Russian Academy of Sciences, Institute of Chemistry and Chemical Technology, Siberian Branch (Russian Federation); Glinskaya, L. A. [Russian Academy of Sciences, Institute of Inorganic Chemistry, Siberian Branch (Russian Federation); Fedorov, K. N.; Bazarova, Zh. G. [Russian Academy of Sciences, Baikal Institute of Nature Management, Siberian Branch (Russian Federation)

    2010-07-15T23:59:59.000Z

    CsFe(MoO{sub 4}){sub 2} single crystals have been grown by solution-melt crystallization with a charge-to-solvent ratio of 1: 3 (with Cs{sub 2}Mo{sub 3}O{sub 10} used as a solvent). The crystal structure of this compound has been refined by X-ray diffraction (X8 APEX automatic diffractometer, MoK{sub {alpha}} radiation, 356 F(hkl), R = 0.0178). The trigonal unit cell has the following parameters: a = b = 5.6051(2) A, c = 8.0118(4) A, V = 217.985(15) A{sup 3}, Z = 1, {rho}{sub calc} = 3.875 g/cm{sup 3}, and sp. gr. P3-barm1. The structure is composed of alternating layers of FeO{sub 6} octahedra (with MoO{sub 4} tetrahedra attached by sharing vertices) and CsO{sub 12} icosahedra.

  7. 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.

  8. Synthesis, crystal structure and thermal decomposition of [La{sub 2}(CH{sub 3}CH{sub 2}COO){sub 6}.(H{sub 2}O){sub 3}].3.5H{sub 2}O precursor for high-k La{sub 2}O{sub 3} thin films deposition

    SciTech Connect (OSTI)

    Ciontea, L., E-mail: Lelia.Ciontea@chem.utcluj.ro [Materials Science Laboratory, Technical University of Cluj-Napoca, Str. C. Daicoviciu 15, Cluj-Napoca (Romania); Nasui, M.; Petrisor, T.; Mos, R.B.; Gabor, M.S. [Materials Science Laboratory, Technical University of Cluj-Napoca, Str. C. Daicoviciu 15, Cluj-Napoca (Romania)] [Materials Science Laboratory, Technical University of Cluj-Napoca, Str. C. Daicoviciu 15, Cluj-Napoca (Romania); Varga, R.A. [Faculty of Chemistry and Chemical Engineering, Babes-Bolyai University, Cluj-Napoca (Romania)] [Faculty of Chemistry and Chemical Engineering, Babes-Bolyai University, Cluj-Napoca (Romania); Petrisor, T. [Materials Science Laboratory, Technical University of Cluj-Napoca, Str. C. Daicoviciu 15, Cluj-Napoca (Romania)] [Materials Science Laboratory, Technical University of Cluj-Napoca, Str. C. Daicoviciu 15, Cluj-Napoca (Romania)

    2010-09-15T23:59:59.000Z

    Lanthanum acetylacetonate La(C{sub 5}H{sub 7}O{sub 2}){sub 3}.xH{sub 2}O has been used in the preparation of the precursor solution for the deposition of polycrystalline La{sub 2}O{sub 3} thin films on Si(1 1 1) single crystalline substrates. The precursor chemistry of the as-prepared coating solution, precursor powder and precursor single crystal have been investigated by Fourier Transformed Infrared Spectroscopy (FTIR), differential thermal analysis coupled with quadrupole mass spectrometry (TG-DTA-QMS) and X-ray diffraction. The FTIR and X-ray diffraction analyses have revealed the complex nature of the coating solution due to the formation of a lanthanum propionate complex. The La{sub 2}O{sub 3} thin films deposited by spin coating on Si(1 1 1) substrate exhibit good morphological and structural properties. The films heat treated at 800 {sup o}C crystallize in a hexagonal phase with the lattice parameters a = 3,89 A and c = 6.33 A, while at 900 {sup o}C the films contain both the hexagonal and cubic La{sub 2}O{sub 3} phase.

  9. Oxygen reduction at a stabilized zirconia interface with Y[sub 1-x]Ca[sub x]MnO[sub 3] or La[sub 1-x]Sr[sub x]MnO[sub 3] cathode materials

    SciTech Connect (OSTI)

    Youngblood, G.E.; Pederson, L.R.; Bates, J.L. (Pacific Northwest Lab., Richland, WA (United States)); Rupaal, A.S. (Western Washington Univ., Bellingham, WA (United States))

    1993-05-01T23:59:59.000Z

    Impedance spectroscopy, combined with an unbonded interface cell, has been used to assess oxygen reduction behavior at interfaces between an yttria-stabilized zirconia electrolyte and perovskite or platinum cathode materials. Intrinsic oxygen reduction specific activities of Y[sub 1-x]Ca[sub x]MnO[sub 3] (x = 0.5, 0.6 and 0.7) and La[sub 1-x]Sr[sub x]MnO[sub 3] (x = 0.1 and 0.3) were determined as a function of temperature and oxygen partial pressure, independent of the interface morphology. The overall cathodic interfacial polarization consists of two or more fundamental processes. In the temperature range of 900--1000C and in air, the operating conditions for a solid oxide fuel cell, charge transfer and oxygen dissociation processes were approximately equivalent relative to the overall oxygen reduction kinetics.

  10. Oxygen reduction at a stabilized zirconia interface with Y{sub 1-x}Ca{sub x}MnO{sub 3} or La{sub 1-x}Sr{sub x}MnO{sub 3} cathode materials

    SciTech Connect (OSTI)

    Youngblood, G.E.; Pederson, L.R.; Bates, J.L. [Pacific Northwest Lab., Richland, WA (United States); Rupaal, A.S. [Western Washington Univ., Bellingham, WA (United States)

    1993-05-01T23:59:59.000Z

    Impedance spectroscopy, combined with an unbonded interface cell, has been used to assess oxygen reduction behavior at interfaces between an yttria-stabilized zirconia electrolyte and perovskite or platinum cathode materials. Intrinsic oxygen reduction specific activities of Y{sub 1-x}Ca{sub x}MnO{sub 3} (x = 0.5, 0.6 and 0.7) and La{sub 1-x}Sr{sub x}MnO{sub 3} (x = 0.1 and 0.3) were determined as a function of temperature and oxygen partial pressure, independent of the interface morphology. The overall cathodic interfacial polarization consists of two or more fundamental processes. In the temperature range of 900--1000C and in air, the operating conditions for a solid oxide fuel cell, charge transfer and oxygen dissociation processes were approximately equivalent relative to the overall oxygen reduction kinetics.

  11. 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.; Lpke, 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.

  12. 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.

  13. 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.

  14. 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.

  15. The impact of crude-oil price volatility on agricultural employment in the United States

    SciTech Connect (OSTI)

    Uri, N.D. [Dept. of Agriculture, Washington, DC (United States)

    1995-12-31T23:59:59.000Z

    This study focuses on the impact of fluctuations in the price of crude oil on agricultural employment in the United States. After reviewing previous assessments of the issue, the existence of an empirical relationship between agricultural employment and crude oil price volatility is established using Granger causality. Subsequently, the nature of the relationship is estimated with the results suggesting that at least three full years are required before the measurable impacts of a percentage change in the real price of crude oil on the change in agricultural employment are exhausted. Finally, the structural stability of the functional relationship between the change in agricultural employment and the volatility of the price of crude oil, the percentage changes in expected net farm income, realized technological innovation, and the wage rate is examined.

  16. 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}.

  17. 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+}.

  18. 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.

  19. PII S0016-7037(01)00802-X Volatilization kinetics of silicon carbide in reducing gases: An experimental study with

    E-Print Network [OSTI]

    Grossman, Lawrence

    PII S0016-7037(01)00802-X Volatilization kinetics of silicon carbide in reducing gases occurring hexagonal sili- con carbide ( -SiC), and -SiC, the cubic form, are occasion- ally reported

  20. Vertical composition gradient effects on original hydrocarbon in place volumes and liquid recovery for volatile oil and gas condensate reservoirs

    E-Print Network [OSTI]

    Jaramillo Arias, Juan Manuel

    2000-01-01T23:59:59.000Z

    Around the world, volatile oil and retrograde gas reservoirs are considered as complex thermodynamic systems and even more when they exhibit vertical composition variations. Those systems must be characterized by an equation of state (EOS...

  1. Comprehensive verification of new method "Ethanol as Internal Standard" for determination of volatile compounds in alcohol products by gas chromatography

    E-Print Network [OSTI]

    Charapitsa, Siarhei V; Markovsky, Mikhail G; Yakuba, Yurii F; Kotov, Yurii N

    2014-01-01T23:59:59.000Z

    Recently proposed new method "Ethanol as Internal Standard" for determination of volatile compounds in alcohol products by gas chromatography is investigated from different sides. Results of experimental study from three different laboratories from Belarus and Russian Federation are presented.

  2. DOI: 10.1002/ejic.200600960 Synthesis and Sublimation Kinetics of a Highly Volatile Asymmetric Iron(II)

    E-Print Network [OSTI]

    FULL PAPER DOI: 10.1002/ejic.200600960 Synthesis and Sublimation Kinetics of a Highly Volatile: Asymmetric iron(II) amidinate / Bridging ligands / Metathesis / Sublimation kinetics / Thermochemistry properties have been the subject of intense investigations in chemistry, electronics, optics, energy

  3. Understanding complex Earth systems: volatile metabolites as microbial ecosystem proxies and student conceptual model development of coastal eutrophication

    E-Print Network [OSTI]

    McNeal, Karen Sue

    2009-05-15T23:59:59.000Z

    research strands which contribute to the scientific and pedagogical understanding of complex Earth systems. In the first strand, a method that characterizes volatile organic compounds (VOCs) as ecological proxies of soil microbial ecosystems was validated...

  4. Evaluation of the colossal electroresistance (CER) effect and its application in the non-volatile Resistive Random Access Memory (RRAM)

    E-Print Network [OSTI]

    Wicaksono, Aulia Tegar

    2009-01-01T23:59:59.000Z

    Flash memory, the current leading technology for non-volatile memory (NVM), is projected by many to run obsolete in the face of future miniaturization trend in the semiconductor devices due to some of its technical ...

  5. The role of non-volatile memory from an application perspective

    SciTech Connect (OSTI)

    Kettering, Brett M [Los Alamos National Laboratory; Nunez, James A [Los Alamos National Laboratory

    2010-09-16T23:59:59.000Z

    Current, emerging, and future NVM (non-volatile memory) technologies give us hope that we will be able to architect HPC (high performance computing) systems that initially use them in a memory and storage hierarchy, and eventually use them as the memory and storage for the system, complete with ownership and protections as a HDD-based (hard-disk-drive-based) file system provides today.

  6. Volatile sulfhydryl compounds produced in Cheddar cheese slurries upon the addition of whey protein and casein

    E-Print Network [OSTI]

    Sheffield, Amelia Rose

    2012-06-07T23:59:59.000Z

    . The addition of whey protein, casein or a combination of whey protein plus 7-glutamyl transpeptidase to slurries was studied to determine the effect of these proteins on volatile sulfhydryl compound production. Milk heat treatment decreased (P&0. 05... measurable free sulfhydryl groups are present in native caseins and only limited amounts are generated by high heat treatments. Those proteins remaining in solution after removal of caseins from milk comprise about 0. 6 to 0. 7% of milk and are designated...

  7. The role of microorganisms in the production of volatile sulfhydryl compounds in cheddar cheese slurries

    E-Print Network [OSTI]

    Ponce-Trevino, Raul

    2012-06-07T23:59:59.000Z

    the role of lac- tic cultures on the production of volatile sulfhydryl com- pounds in the slurries. Hydrogen sulfide, methanethiol, carbonyl sulfide and dimethyl sulfide were found in the headspace of slurries prepared from curd manufactured.... (39) stated that although the role of hydrogen sulfide in the production of Cheddar flavor is uncertain, its influence should not be discounted. They suggested that dimethyl sulfide does not contribute directly to flavor. Aston and Douglas (1...

  8. ABSORPTION DES ACIDES GRAS VOLATILS DANS L'OMASUM DE LA VACHE

    E-Print Network [OSTI]

    Boyer, Edmond

    ABSORPTION DES ACIDES GRAS VOLATILS DANS L'OMASUM DE LA VACHE C. DARDILLAT Station de rôle du feuillet et ses capacités d'absorption sont très mal connus car il est difficile d'accé- der à cet organe sans perturber son fonctionnement. Nous avons fixé par effet ventouse une chambre d'absorption

  9. Electron impact and chemical ionization mass spectral analysis of a volatile uranyl derivative

    SciTech Connect (OSTI)

    Reutter, D.J.; Hardy, D.R.

    1981-01-01T23:59:59.000Z

    Quadrupole mass spectral analysis of the volatile uranium ligand complex bis (1,1,1,5,5,5-hexafluoro-2,4-pentanedionato) dioxouranium-di-n-butyl sulfoxide is described utilizing electron impact (EI) and methane chemical ionization (CI) ion sources. All major ions are tentatively identified and the potential usefulness of this complex for determining uranium isotope /sup 235/U//sup 238/U abundance is demonstrated.

  10. Performance specifications for technology development: Application for characterization of volatile organic compounds in the environment

    SciTech Connect (OSTI)

    Carpenter, S.E.; Doskey, P.V.; Erickson, M.D.; Lindahl, P.C.

    1994-07-01T23:59:59.000Z

    This report contains information about technology development for the monitoring and remediation of environmental pollution caused by the release of volatile organic compounds. Topics discussed include: performance specification processes, gas chromatography, mass spectrometer, fiber-optic chemical sensors, infrared spectroscopy, Raman spectroscopy, piezoelectric sensors and electrochemical sensors. These methods are analyzed for their cost efficiency, accuracy, and the ability to meet the needs of the customer.

  11. Mo{sub 5}Si{sub 3} single crystals: Physical properties and mechanical behavior

    SciTech Connect (OSTI)

    Chu, F.; Thoma, D.J.; McClellan, K.J.; Peralta, P.

    1998-12-01T23:59:59.000Z

    The materials processing, physical properties and mechanical behavior of an ultra-high temperature structural silicide, Mo{sub 5}Si{sub 3}, have been studied. High purity single crystals of Mo{sub 5}Si{sub 3} have been synthesized by both optical floating zone and Czochralski methods. The thermal and elastic properties of the MO{sub 5}Si{sub 3} single crystals were experimentally measured. Results show that Mo{sub 5}Si{sub 3} has significant thermal expansion anisotropy along the a and c directions with {alpha}{sub c}/{alpha}{sub a} = 2.2. Single crystal elastic moduli of Mo{sub 5}Si{sub 3} indicate that it has less elastic anisotropy and lower shear moduli than transition metal disilicides. Tensile stresses of up to 1.8 GPa can develop at grain boundaries after cooling from the melting point due to the thermal expansion mismatch in Mo{sub 5}Si{sub 3}, causing grain boundary cracking during processing of polycrystals. Room temperature Vickers indentation tests on (100) and (001) planes have been performed with different indenter diagonal orientations. The orientation dependence of hardness and fracture toughness of Mo{sub 5}Si{sub 3} single crystals have been obtained. The corresponding deformation and fracture modes have been revealed by microscopy studies. A comparison of Mo{sub 5}Si{sub 3} with other high temperature structural silicides, e.g., C11{sub b} and C40 transition metal disilicides, is discussed.

  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. Concentration profiles across twin boundaries in YBa{sub 2}Cu{sub 3}O{sub 6+{delta}}

    SciTech Connect (OSTI)

    Hu, Q.; Stiller, K.; Olsson, E.; Andren, H. [Department of Physics, Chalmers University of Technology and University of Goeteborg, S-412 96 Goeteborg (Sweden)] [Department of Physics, Chalmers University of Technology and University of Goeteborg, S-412 96 Goeteborg (Sweden); Berastegui, P.; Johansson, L. [Department of Inorganic Chemistry, Chalmers University of Technology and University of Goeteborg, S-412 96 Goeteborg (Sweden)] [Department of Inorganic Chemistry, Chalmers University of Technology and University of Goeteborg, S-412 96 Goeteborg (Sweden)

    1997-11-01T23:59:59.000Z

    Twin boundaries in polycrystalline YBa{sub 2}Cu{sub 3}O{sub 6+{delta}} have been studied by atom-probe field-ion microscopy. Oxygen depletion at a twin boundary in a {delta}=0.6 material was observed. The width of the depleted region was 6{endash}7 nm. It agrees well with the width of oxygen depletion calculated from the oxygen-depleted twin boundary model by Jou and Washburn. However, a twin boundary in a {delta}=0.9 material did not show any oxygen depletion. This study provides direct evidence of oxygen depletion at twin boundaries in polycrystalline YBa{sub 2}Cu{sub 3}O{sub 6+{delta}} ceramics. {copyright} {ital 1997} {ital The American Physical Society}

  14. 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.

  15. Cancer risks from soil emissions of volatile organic compounds at the Lawrence Livermore National Laboratory

    SciTech Connect (OSTI)

    Dibley, V. R., LLNL

    1998-02-01T23:59:59.000Z

    The emission isolation flux chamber (EIFC) methodology was applied to Superfund investigations at the Lawrence Livermore National Laboratory Site 300 to determine if on-site workers were exposed to VOCs volatilizing from the subsurface and what, if any, health risks could be attributed to the inhalation of the VOCs volatilizing from the subsurface. During July and August of 1996, twenty, eighteen, and twenty six VOC soil vapor flux samples were collected in the Building 830, 832, and 854 areas, respectively using EIFCS. The VOC concentrations in the vapor samples were used to calculate soil flux rates which were used as input into an air dispersion model to calculate ambient air exposure-point concentrations. The exposure-point concentrations were compared to EPA Region IX Preliminary Remediation Goals (PRGs). Buildings 830 and 832 exposure-point concentrations were less then the PRGs therefore no cancer risks were calculated. The cancer risks for Building 854 ranged from 1.6 x 10{sup -7} to 2.1 x 10{sup -6}. The resultant inhalation cancer risks were all within the acceptable range, implying that on-site workers were not exposed to VOC vapors volatilizing from the subsurface soil that could have significant cancer risks. Therefore remediation in these areas would not be necessary.

  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. 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%.

  18. 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.

  19. 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.

  20. 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.

  1. 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}.

  2. 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 M?LANGE D'ACIDES GRAS VOLATILS DANS LE RUMEN DU problèmes 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

  3. 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).

  4. 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 JahnTeller (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 JahnTeller distortive cations in asymmetric environments. The intra-octahedral distortion of the Mo{sup 6+} is influenced by the Se{sup 4+}.

  5. Electron diffraction studies of short-range order parameters in amorphous Yb{sub 1-x}Sm{sub x}As{sub 2}S{sub 4} films

    SciTech Connect (OSTI)

    Hajiyev, E. Sh.; Madadzade, A. I. [Azerbaijan National Academy of Sciences, Institute of Physics (Azerbaijan)

    2008-05-15T23:59:59.000Z

    The dependence of the intensity of electron scattering on the scattering angle for amorphous Yb{sub 1-x}Sm{sub x}As{sub 2}S{sub 4} films is obtained. The curve for radial distribution of atoms is plotted. The radii of coordination shells and partial coordination numbers for atoms in Yb{sub 1-x}Sm{sub x}As{sub 2}S{sub 4} are determined.

  6. Effects of depositon rate on Bi[sub 2]Sr[sub 2]CaCu[sub 2]O[sub 8+x] and Bi[sub 2]Sr[sub 1. 6]La[sub 0. 4]CuO[sub 6+x] epitaxial thin film growth by pulsed-laser ablation

    SciTech Connect (OSTI)

    Zhu, S. (Tennessee Univ., Knoxville, TN (United States). Dept. of Physics and Astronomy); Lowndes, D.H.; Chakoumakos, B.C.; Christen, D.K.; Budai, J.D.; Zheng, X.Y.; Warmack, R.J. (Oak Ridge National Lab., TN (United States))

    1993-01-01T23:59:59.000Z

    Bi[sub 2]Sr[sub 2]CaCu[sub 2]O[sub 8+x] and Bi[sub 2]Sr[sub 1.6]La[sub 0.4]CuO[sub 6+x] epitaxial films have been grown on (001) MgO and SrTiO[sub 3] substrates at different deposition rates by pulsed-laser ablation(PLA). Surface morphology, crystallinity and superconducting critical temperature of the films depend sensitively on deposition rate even though ablation target composition and substrate temperature were kept almost constant. Scanning election microscopy showed that density of particles generated by PLA is reduced by decreasing the deposition rate. Results show that the highest quality films of the highly anisotropic Bi-based materials are deposited by PLA at a low deposition rate, which results in film growth in a near-equilibrium state. 9 refs, 1 tab, 3 figs.

  7. Effects of depositon rate on Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8+x} and Bi{sub 2}Sr{sub 1.6}La{sub 0.4}CuO{sub 6+x} epitaxial thin film growth by pulsed-laser ablation

    SciTech Connect (OSTI)

    Zhu, S. [Tennessee Univ., Knoxville, TN (United States). Dept. of Physics and Astronomy; Lowndes, D.H.; Chakoumakos, B.C.; Christen, D.K.; Budai, J.D.; Zheng, X.Y.; Warmack, R.J. [Oak Ridge National Lab., TN (United States)

    1993-06-01T23:59:59.000Z

    Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8+x} and Bi{sub 2}Sr{sub 1.6}La{sub 0.4}CuO{sub 6+x} epitaxial films have been grown on (001) MgO and SrTiO{sub 3} substrates at different deposition rates by pulsed-laser ablation(PLA). Surface morphology, crystallinity and superconducting critical temperature of the films depend sensitively on deposition rate even though ablation target composition and substrate temperature were kept almost constant. Scanning election microscopy showed that density of particles generated by PLA is reduced by decreasing the deposition rate. Results show that the highest quality films of the highly anisotropic Bi-based materials are deposited by PLA at a low deposition rate, which results in film growth in a near-equilibrium state. 9 refs, 1 tab, 3 figs.

  8. 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)-(11) 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.

  9. Optical transitions in MnGa{sub 2}Se{sub 4}

    SciTech Connect (OSTI)

    Tagiev, B. G.; Kerimova, T. G., E-mail: ktaira@physics.ab.az; Tagiev, O. B.; Asadullayeva, S. G.; Mamedova, I. A. [National Academy of Sciences of Azerbaijan, Institute of Physics (Azerbaijan)

    2012-06-15T23:59:59.000Z

    The dependence of the absorption coefficient on incident photon energy in a MnGa{sub 2}Se{sub 4} single crystal has been investigated in the temperature range 110-295 K. Using group-theory analysis of the electron state symmetry and comparison of the symmetry of the energy spectrum of MnGa{sub 2}Se{sub 4} and its isoelectronic analogs, a conclusion about the character of optical transitions has been drawn. It is shown that the features observed at 2.31 and 2.45 eV are related to the intracenter transitions {sup 6}A{sub 1}{sup 1} {yields} {sup 4}T{sub 2}({sup 4}G) and {sup 6}A{sub 1}{sup 2} {yields} {sup 4}T{sub 2}({sup 4}G). The {sup 6}A{sub 1} state is split by the crystal field.

  10. 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.

  11. Vibrational spectroscopy of the ammoniated ammonium ions NH sub 4 sup + (NH sub 3 ) sub n (n = 1-10)

    SciTech Connect (OSTI)

    Price, J.M.; Crofton, M.W.; Lee, Y.T. (Lawrence Berkeley Lab., CA (United States) Univ. of California, Berkeley (United States))

    1991-03-21T23:59:59.000Z

    The gas-phase vibration-internal rotation spectra of mass-selected ammoniated ammonium ions, NH{sub 4}{sup +}(NH{sub 3}){sub n} (for n = 1-10), have been observed from 2600 to 4000 cm{sup {minus}1}. The spectra show vibrational features that have been assigned to modes involving both the ion core species, NH{sub 4}{sup +}, and the first shell NH{sub 3} solvent molecules. Nearly free internal rotation of the solvent molecules about their local C{sub 3} axes in the first solvation shell has been observed in the smaller clusters (n = 1-6). For the larger clusters studied (n = 7-10) the spectra converge, with little difference between clusters differing by one solvent molecule. For these clusters, the spectrum in the 3200-3500 cm{sup {minus}1} region is quite similar to that of liquid ammonia, and the entire region of 2600-3500 cm{sup {minus}1} also bears considerable resemblance to the spectra of ammonium salts dissolved in liquid ammonia under some chemical conditions. This indicates the onset of a liquidlike environment for the ion core and first shell solvent molecules in clusters as small as NH{sub 4}{sup +}(NH{sub 3}){sub 8}.

  12. 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.

  13. DO QUIESCENT AND ACTIVE GALAXIES HAVE DIFFERENT M{sub BH}-{sigma}{sub *} RELATIONS?

    SciTech Connect (OSTI)

    Woo, Jong-Hak; Park, Daeseong; Kang, Wol-Rang [Astronomy Program, Department of Physics and Astronomy, Seoul National University, 1 Gwanak-ro Gwanak-gu, Seoul, 151-742 (Korea, Republic of); Schulze, Andreas [Kavli Institute for Astronomy and Astrophysics, Peking University, 100871 Beijing (China); Kim, Sang Chul [Korea Astronomy and Space Science Institute, Daejeon 305-348 (Korea, Republic of); Riechers, Dominik A., E-mail: woo@astro.snu.ac.kr [Astronomy Department, Cornell University, 220 Space Science Building, Ithaca, NY 14853 (United States)

    2013-07-20T23:59:59.000Z

    To investigate the validity of the assumption that quiescent galaxies and active galaxies follow the same black hole mass (M{sub BH})-stellar velocity dispersion ({sigma}{sub *}) relation, as required for the calibration of M{sub BH} estimators for broad line active galactic nuclei (AGNs), we determine and compare the M{sub BH}-{sigma}{sub *} relations, respectively, for quiescent and active galaxies. For the quiescent galaxy sample, composed of 72 dynamical M{sub BH} measurements, we update {sigma}{sub *} for 28 galaxies using homogeneous H-band measurements that are corrected for galaxy rotation. For active galaxies, we collect 25 reverberation-mapped AGNs and improve {sigma}{sub *} measurement for two objects. Combining the two samples, we determine the virial factor f, first by scaling the active galaxy sample to the M{sub BH}-{sigma}{sub *} relation of quiescent galaxies, and second by simultaneously fitting the quiescent and active galaxy samples, as f=5.1{sub -1.1}{sup +1.5} and f=5.9{sub -1.5}{sup +2.1}, respectively. The M{sub BH}-{sigma}{sub *} relation of active galaxies appears to be shallower than that of quiescent galaxies. However, the discrepancy is caused by a difference in the accessible M{sub BH} distribution at given {sigma}{sub *}, primarily due to the difficulty of measuring reliable stellar velocity dispersion for the host galaxies of luminous AGNs. Accounting for the selection effects, we find that active and quiescent galaxies are consistent with following intrinsically the same M{sub BH}-{sigma}{sub *} relation.

  14. Synthesis, single-crystal structure, and optical absorption of Rb{sub 2}Th{sub 7}Se{sub 15}

    SciTech Connect (OSTI)

    Koscielski, Lukasz A.; Pozzi, Eric A.; Van Duyne, Richard P.; Ibers, James A., E-mail: ibers@chem.northwestern.edu

    2013-09-15T23:59:59.000Z

    The compound Rb{sub 2}Th{sub 7}Se{sub 15} has been synthesized by the solid-state reaction at 1273 K of Th, Rb{sub 2}Se{sub 3}, Se, and Ge, and its structure has been determined by single-crystal X-ray diffraction methods. Red crystals of Rb{sub 2}Th{sub 7}Se{sub 15} crystallize at 100(2) K with four formula units in a new structure type in the monoclinic space group C{sub 2h}{sup 5}?P2{sub 1}/c. The structure is three-dimensional and comprises Rb and Th atoms coordinated by Se atoms to form nine-, eight-, and seven-coordinate polyhedra. Infinite channels that contain Rb atoms are present. Crystals of Rb{sub 2}Th{sub 7}Se{sub 15} are red in color; an indirect band gap of 1.83 eV was derived from single-crystal optical measurements. - Graphical abstract: Structure of Rb{sub 2}Th{sub 7}Se{sub 15} viewed down the b-axis. Display Omitted - Highlights: The new compound Rb{sub 2}Th{sub 7}Se{sub 15} was synthesized at 1273 K from the elements in the presence of Ge. The structures of the two known Rb/Th/Se compounds, RbTh{sub 2}Se{sub 6} and Rb{sub 2}Th{sub 7}Se{sub 15}, differ markedly. Optical measurements establish the band gap of Rb{sub 2}Th{sub 7}Se{sub 15} to be indirect with a value of 1.83 eV.

  15. 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 80100?K. A broad anomaly of dielectric permittivity is found below 140180?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.

  16. Excited state absorption of V/sup 2 +/ and Cr/sup 3 +/ ions in crystal hosts. [V/sup 2 +/ in KMgF/sub 3/; Cr/sup 3 +/ in Na/sub 3/Ga/sub 2/Li/sub 3/F/sub 12/ and BeAl/sub 2/O/sub 4/

    SciTech Connect (OSTI)

    Payne, S.A.; Chase, L.L.

    1987-01-01T23:59:59.000Z

    We have measured the excited state absorption spectra of KMgF/sub 3/:V/sup 2 +/, Na/sub 3/Ga/sub 2/Li/sub 3/F/sub 12/:Cr/sup 3 +/, and BeAl/sub 2/O/sub 4/:Cr/sup 3 +/. The /sup 4/T/sub 2/ ..-->.. /sup 4/T/sub 1/a, /sup 4/T/sub 1/b transitions were observed for the first two systems, while the /sup 2/E, /sup 2/T/sub 1/ ..-->.. /sup 2/T/sub 2/ transitions were seen for BeAl/sub 2/O/sub 4/:Cr/sup 3 +/. All excited state absorptions, except the /sup 4/T/sub 2/ ..-->.. /sup 4/T/sub 1/a transition, can be understood on the basis of simple crystal field theory. The /sup 4/T/sub 2/ ..-->.. /sup 4/T/sub 1/a transition is found to be profoundly modified by the Jahn-Teller effect, such that it is broader and at higher energy than otherwise expected. This excited state absorption is observed to overlap the emission spectrum of KMgF/sub 3/:V/sup 2 +/, and thereby substantially reduce the effective stimulated emission cross-section.

  17. 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 45C; ~ 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 85C, 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.

  18. 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.

  19. 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-}.

  20. Structure and properties of bimetallic Ru-Fe/Al/sub 2/O/sub 3/ catalysts

    SciTech Connect (OSTI)

    Zakumbaeva, G.D.; Shapovalova, L.B.; Omarov, Zh.T.; Kuanyshev, A.Sh.; Yaskevich, V.I.

    1988-08-20T23:59:59.000Z

    The authors studied the influence of the composition of Ru-Fe-/Al/sub 2/O/sub 3/-catalysts on adsorption and interaction of carbon monoxide and hydrogen. Moessbauer investigations were conducted. According to x-ray photoelectron spectra (XPS) bimetallic Ru-Fe/Al/sub 2/O/sub 3/ catalysts contain ruthenium mainly in the form of Ru/sup 0/ (E/sub b/ = 280.8 eV). Adsorption of carbon monoxide, hydrogen, and CO + H/sub 2/ mixture was studied by microcalorimetric and thermal-desorption methods.

  1. 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.

  2. 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.

  3. Physical properties of BeAl{sub 6}O{sub 10} single crystals

    SciTech Connect (OSTI)

    Pestryakov, E.V.; Petrov, V.V.; Zubrinov, I.I.; Semenov, V.I.; Trunov, V.I.; Kirpichnikov, A.V. [Department of Quantum Electronics, Institute of Semiconductor Physics, Novosibirsk 630090 (Russia)] [Department of Quantum Electronics, Institute of Semiconductor Physics, Novosibirsk 630090 (Russia); Alimpiev, A.I. [Design and Technological Institute of Monocrystals, Novosibirsk 630058 (Russia)] [Design and Technological Institute of Monocrystals, Novosibirsk 630058 (Russia)

    1997-10-01T23:59:59.000Z

    Single crystals of BeAl{sub 6}O{sub 10}, beryllium hexaaluminate, were grown by the Czochralski method. The optical, acousto-optical, elastic, and a number of thermo-mechanical properties of bulk crystals of BeAl{sub 6}O{sub 10} were investigated in comparison with crystal of BeAl{sub 2}O{sub 4}, chrysoberyl. It has been demonstrated that this material is the promising host for active media of tunable solid state lasers. {copyright} {ital 1997 American Institute of Physics.}

  4. 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.

  5. 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 fr Geowissenschaften, Friedrich-Schiller-Universitt Jena, Carl-Zeiss-Promenade 10, D-07745 Jena (Germany); Tbbens, 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 fr Mineralogie und Kristallographie, Universitt Wien, Geozentrum, Althanstrae 14, A-1090 Wien (Austria); Tillmanns, Ekkehart [Institut fr Mineralogie und Kristallographie, Universitt Wien, Geozentrum, Althanstrae 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) , ?=106.53(3)/106.20(3)/106.50(3), V=718.8(2)/693.0(2)/638.3(2) {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 (SiSiSi=93.1595.98), Si{sub 2}O{sub 7} groups (SiO{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.

  6. Electrical and thermal properties of Fe substituted double-filled Ba{sub x}Yb{sub y}Fe{sub z}Co{sub 4-z}Sb{sub 12} skutterudites

    SciTech Connect (OSTI)

    Ballikaya, Sedat, E-mail: sedatballikaya@yahoo.com [Department of Physics, University of Istanbul, 34134 Vezneciler, Istanbul (Turkey); Uzar, Neslihan; Yildirim, Saffettin [Department of Physics, University of Istanbul, 34134 Vezneciler, Istanbul (Turkey); Salvador, James R. [Chemical Sciences and Materials Systems Laboratory, General Motors Global R and D Center, Warren, MI 48090 (United States)

    2013-01-15T23:59:59.000Z

    Fe-substituted double-filled Ba{sub x}Yb{sub y}Fe{sub z}Co{sub 4-z}Sb{sub 12} (x=0.1, y=0.2 and z=0.0-0.4 nominal) compounds were synthesized using a melting-annealing-spark plasma sintering (SPS) method. Their thermoelectric properties were assessed by measuring the Seebeck coefficient, electrical conductivity, thermal conductivity and the Hall coefficient. The sign of the Hall coefficient indicates that electrons are the dominant carriers in all compounds except Ba{sub 0.1}Yb{sub 0.2}Fe{sub 0.4}Co{sub 3.6}Sb{sub 12}. The temperature dependence of the electrical conductivity and the carrier concentration reflect the transition from extrinsic to intrinsic behavior depending on the amount of Fe substituted for Co. Jonker and Ioffe analyses are applied to Fe-substituted double-filled Ba{sub x}Yb{sub y}Fe{sub z}Co{sub 4-z}Sb{sub 12} compounds in order to evaluate the range of minimum and maximum power factors achievable in n-type filled skutterudite compounds at room temperature (300 K). The predicted maximum room temperature power factor values in the range of 15-45 {mu}W/K{sup 2} cm are comparable to experimentally reported values of n-type skutterudite compounds. - Graphical abstract: Room temperature Jonker plot of Ba{sub x}Yb{sub y}Fe{sub z}Co{sub 4-z}Sb{sub 12} samples. Highlights: Black-Right-Pointing-Pointer The TE properties of Ba{sub x}Yb{sub y}Fe{sub z}Co{sub 4-z}Sb{sub 12} compounds were investigated. Black-Right-Pointing-Pointer Jonker and Ioffe analysis applied in order to predict the range of power factor achievable at room temperature. Black-Right-Pointing-Pointer The thermal conductivity is strongly suppressed with increasing of Fe substitution on Co site. Black-Right-Pointing-Pointer We see that small quantities of Fe on Co site is beneficial on enhancement ZT value.

  7. Effects of oxygen vacancies on dielectric, electrical, and ferroelectric properties of Ba{sub 4}Nd{sub 2}Fe{sub 2}Nb{sub 8}O{sub 30} ceramics

    SciTech Connect (OSTI)

    Fei Liu, Shu; Jun Wu, Yong, E-mail: yongjunwu@zju.edu.cn [State Key Laboratory of Silicon Materials, Department of Materials Science and Engineering, Cyrus Tang Center for Sensor Materials and Applications, Zhejiang University, Hangzhou 310027 (China); Laboratory of Dielectric Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Li, Juan [College of Materials Science and Engineering, Zhejiang University of Technology, Hangzhou 310014 (China); Ming Chen, Xiang [Laboratory of Dielectric Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China)

    2014-02-24T23:59:59.000Z

    Effects of oxygen vacancies on the dielectric, electrical, and ferroelectric properties of Ba{sub 4}Nd{sub 2}Fe{sub 2}Nb{sub 8}O{sub 30} ceramics were investigated. A dielectric relaxation above T{sub c} can be ascribed to the trap-controlled ac conduction around doubly ionized oxygen vacancies. The dc conductivity of the N{sub 2}-annealed and O{sub 2}-annealed samples is attributed to the long-range motion of the V{sub o}{sup ??}, and that of the as-sintered sample is considered to be governed by the electronic and oxygen-vacancy ionic mixed conduction mechanism. Low concentration and random distributed oxygen vacancies are propitious to the domain switching, while high concentration and allied oxygen defects hinder the domain-wall movement.

  8. 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.

  9. 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.

  10. 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 20160?C and electric fields of 0.14 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.

  11. 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.

  12. Contrasting the experimental properties of hydrogen in SnO{sub 2}, In{sub 2}O{sub 3}, and TiO{sub 2}

    SciTech Connect (OSTI)

    Stavola, Michael, E-mail: mjsa@Lehigh.edu; Bekisli, Figen; Yin, Weikai; Smithe, Kirby; Beall Fowler, W. [Department of Physics and the Sherman Fairchild Laboratory, Lehigh University, Bethlehem, Pennsylvania 18015 (United States); Boatner, Lynn A. [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States)

    2014-01-07T23:59:59.000Z

    IR spectroscopy has been used to investigate the properties of H and D in single crystals of the transparent conducting oxides, SnO{sub 2}, and In{sub 2}O{sub 3}. H introduces several O-H stretching lines and also the broad absorption arising from free carriers. IR spectroscopy has been used to identify the sources of n-type conductivity, its thermal stability, and the reactions of H-containing defects. The properties of OH and OD centers in TiO{sub 2}, while studied for decades, reveal new surprises and properties that are in sharp contrast to the shallow, H-related donors seen in SnO{sub 2} and In{sub 2}O{sub 3}. Recent theory and EPR experiments find that electrons in TiO{sub 2} become self-trapped at Ti sites to form small polarons. The OD center in TiO{sub 2} shows a multiline vibrational spectrum with an unusual temperature dependence that can be explained by a small polaron model with the donor electron self-trapped at different Ti sites near the OD oscillator.

  13. 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.

  14. 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.

  15. Reversible formation of [P{sub 2}PtH]{sub 2} platinum(I) complexes from cis-P{sub 2}PtH{sub 2} complexes, where P{sub 2} is a chelating phosphine

    SciTech Connect (OSTI)

    Schwartz, D.J.; Andersen, R.A. [Lawrence Berkeley Lab., CA (United States)]|[Univ. of California, Berkeley, CA (United States)

    1995-04-12T23:59:59.000Z

    Several platinum cis-dihydride phosphine complexes, (diphos)PtH{sub 2} [4, diphos = iPr{sub 2}P(CH{sub 2}){sub 2}PiPr{sub 2} (dippe); 5, diphos = Cy{sub 2}P(CH{sub 2}){sub 2}PCy{sub 2} (dcype); and 6, diphos = tBu{sub 2}P(CH{sub 2}){sub 2}PtBu{sub 2} (dtbpe)], have been found to be unstable in solution, reversibly losing H{sub 2} and forming binuclear complexes of the general formula [(P-P)Pth]{sub 2}. The extent of dimerization in solution is directly related to the steric size of the phosphine ligand, larger phosphines imparting kinetic stability to the cis-dihydride monomers. The dimeric complexes possess terminal hydride ligands on the basis of their IR spectra; however, the room-temperature {sup 1}H, {sup 31}P({sup 1}H), and {sup 195}Pt({sup 1}H) NMR spectra show equivalence within the sets of H, Pt, and P nuclei, indicating that the dimers are fluxional in solution. This fluxional process can be stopped at low temperature for the (dippe) and (dcype) derivatives, 1 and 2, but not for the (dtbpe) derivative, 3. The complex 1 crystallizes in the orthorhombic space group P2{sub 1}2{sub 1}2{sub 1} in a cell of dimensions a = 9.245(2) A, b = 16.966(2) A, c = 22.690(6) A, and Z = 4. 22 refs., 10 figs., 8 tabs.

  16. 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.

  17. Crystal structure of La{sub 2}Mo{sub 2}O{sub 9} single crystals doped with bismuth

    SciTech Connect (OSTI)

    Alekseeva, O. A., E-mail: olalex@ns.crys.ras.ru; Verin, I. A.; Sorokina, N. I.; Krasil'nikova, A. E. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation); Voronkova, V. I. [Moscow State University, Faculty of Physics (Russian Federation)

    2010-07-15T23:59:59.000Z

    Precision X-ray diffraction studies of La{sub 2-x}Bi{sub x}Mo{sub 2}O{sub 9} (x = 0.04, 0.06, and 0.18) single crystals are performed. It is found that in the compounds doped with bismuth, analogously with the structure of the metastable {beta}{sub ms} phase of pure La{sub 2}Mo{sub 2}O{sub 9} (LM), the La, Mo1, and O1 atoms deviate from the threefold axis on which they are located in the high-temperature {beta} phase. It is shown that bismuth atoms substitute for part of lanthanum atoms and occupy a position at the threefold axis in the neighborhood of the split lanthanum position. The implantation of bismuth atoms in the LM structure results in the return of a part of the molybdenum atoms to the position at the threefold axis. The occupancy of this position is equal to the occupancy of the bismuth atomic position.

  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. Silver vanadium diphosphate Ag{sub 2}VP{sub 2}O{sub 8}: Electrochemistry and characterization of reduced material providing mechanistic insights

    SciTech Connect (OSTI)

    Takeuchi, Esther S., E-mail: esther.takeuchi@stonybrook.edu [Department Materials Science and Engineering, Stony Brook University (SUNY), Stony Brook, NY 11794 (United States); Global and Regional Solutions Directorate, Brookhaven National Laboratory, Upton, NY 11973 (United States); Department of Chemistry, Stony Brook University (SUNY), Stony Brook, NY 11794 (United States); Lee, Chia-Ying; Cheng, Po-Jen [Department of Chemical and Biological Engineering, University at Buffalo (SUNY), Buffalo, NY 14260 (United States); Menard, Melissa C. [Department Materials Science and Engineering, Stony Brook University (SUNY), Stony Brook, NY 11794 (United States); Marschilok, Amy C., E-mail: amy.marschilok@stonybrook.edu [Department Materials Science and Engineering, Stony Brook University (SUNY), Stony Brook, NY 11794 (United States); Department of Chemistry, Stony Brook University (SUNY), Stony Brook, NY 11794 (United States); Takeuchi, Kenneth J., E-mail: kenneth.takeuchi.1@stonybrook.edu [Department of Chemistry, Stony Brook University (SUNY), Stony Brook, NY 11794 (United States)

    2013-04-15T23:59:59.000Z

    Silver vanadium phosphorous oxides (Ag{sub w}V{sub x}P{sub y}O{sub z}) are notable battery cathode materials due to their high energy density and demonstrated ability to form in-situ Ag metal nanostructured electrically conductive networks within the cathode. While analogous silver vanadium diphosphate materials have been prepared, electrochemical evaluations of these diphosphate based materials have been limited. We report here the first electrochemical study of a silver vanadium diphosphate, Ag{sub 2}VP{sub 2}O{sub 8}, where the structural differences associated with phosphorous oxides versus diphosphates profoundly affect the associated electrochemistry. Reminiscent of Ag{sub 2}VO{sub 2}PO{sub 4} reduction, in-situ formation of silver metal nanoparticles was observed with reduction of Ag{sub 2}VP{sub 2}O{sub 8}. However, counter to Ag{sub 2}VO{sub 2}PO{sub 4} reduction, Ag{sub 2}VP{sub 2}O{sub 8} demonstrates a significant decrease in conductivity upon continued electrochemical reduction. Structural analysis contrasting the crystallography of the parent Ag{sub 2}VP{sub 2}O{sub 8} with that of the proposed Li{sub 2}VP{sub 2}O{sub 8} reduction product is employed to gain insight into the observed electrochemical reduction behavior, where the structural rigidity associated with the diphosphate anion may be associated with the observed particle fracturing upon deep electrochemical reduction. Further, the diphosphate anion structure may be associated with the high thermal stability of the partially reduced Ag{sub 2}VP{sub 2}O{sub 8} materials, which bodes well for enhanced safety of batteries incorporating this material. - Graphical abstract: Structure and galvanostatic intermittent titration-type test data for silver vanadium diphosphate, Ag{sub 2}VP{sub 2}O{sub 8}. Highlights: ? First electrochemical study of a silver vanadium diphosphate, Ag{sub 2}VP{sub 2}O{sub 8}. ? In-situ formation of Ag{sup 0} nanoparticles was observed upon electrochemical reduction. ? Structural analysis used to provide insight of the electrochemical behavior.

  1. Optical absorption in epitaxial La{sub 1-x}Sr{sub x}FeO{sub 3} thin films

    SciTech Connect (OSTI)

    Scafetta, M D.; Xie, Y. J.; Torres, M.; Spanier, J. E.; May, S. J. [Department of Materials Science and Engineering, Drexel University, Philadelphia, Pennsylvania 19104 (United States)] [Department of Materials Science and Engineering, Drexel University, Philadelphia, Pennsylvania 19104 (United States)

    2013-02-25T23:59:59.000Z

    We report the dependence of optical absorption on Sr concentration in La{sub 1-x}Sr{sub x}FeO{sub 3} (LSFO) (x{<=}0.4) perovskite thin films. Strained epitaxial films were deposited on SrTiO{sub 3} substrates using oxide molecular beam epitaxy. We find systematic changes in the optical absorption spectra with increasing x including a red-shift of transition energies and the increasing presence of a lower energy transition within the fundamental gap of pure LaFeO{sub 3}. These results serve as a demonstration of the complex manner in which absorption spectra can be altered in complex oxides via heterovalent A-site substitution.

  2. 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.

  3. The Li{sub y}Ni{sub 0.2}Mn{sub 0.2}Co{sub 0.6}O{sub 2} electrode materials: A structural and magnetic study

    SciTech Connect (OSTI)

    Labrini, Mohamed [LCME, FST Marrakech, University Cadi Ayyad, BP549, Av. A. Khattabi, Marrakech (Morocco) [LCME, FST Marrakech, University Cadi Ayyad, BP549, Av. A. Khattabi, Marrakech (Morocco); EEMO, FST Marrakech, University Cadi Ayyad, BP549, Av. A. Khattabi, Marrakech (Morocco); Saadoune, Ismael, E-mail: saadoune1@yahoo.fr [LCME, FST Marrakech, University Cadi Ayyad, BP549, Av. A. Khattabi, Marrakech (Morocco)] [LCME, FST Marrakech, University Cadi Ayyad, BP549, Av. A. Khattabi, Marrakech (Morocco); Almaggoussi, Abdelmajid [EEMO, FST Marrakech, University Cadi Ayyad, BP549, Av. A. Khattabi, Marrakech (Morocco)] [EEMO, FST Marrakech, University Cadi Ayyad, BP549, Av. A. Khattabi, Marrakech (Morocco); Elhaskouri, Jamal [Instituto Universitario de Ciencia de los Materiales, ICMUV Valencia (Spain) [Instituto Universitario de Ciencia de los Materiales, ICMUV Valencia (Spain); Institut de Ciencia dels Materials and Fundacio General, Universitat de Valencia, Amadeu de Savoia - C.P. 46010 Valencia (Spain); Amoros, Pedro [Instituto Universitario de Ciencia de los Materiales, ICMUV Valencia (Spain)] [Instituto Universitario de Ciencia de los Materiales, ICMUV Valencia (Spain)

    2012-04-15T23:59:59.000Z

    Graphical abstract: EPR signal of the Li{sub 0.6}Co{sub 0.6}Ni{sub 0.2}Mn{sub 0.2}O{sub 2} composition showing that Mn{sup 4+} ions are the solely paramagnetic ions in the structure. Highlights: Black-Right-Pointing-Pointer LiCo{sub 0.6}Ni{sub 0.2}Mn{sub 0.2}O{sub 2} was prepared by the combustion method with sucrose as a fuel. Black-Right-Pointing-Pointer Chemical delithiaition was performed by using NO{sub 2}BF{sub 4} oxidizing agent. Black-Right-Pointing-Pointer The rhombohedral symmetry was preserved upon lithium removal. Black-Right-Pointing-Pointer Lithium extraction leads to Ni{sup 2+} oxidation to Ni{sup 4+} followed by Co{sup 3+} oxidation. Black-Right-Pointing-Pointer The EPR narrow signal of Li{sub 0.6}Co{sub 0.6}Ni{sub 0.2}Mn{sub 0.2}O{sub 2} is due to the only active Mn{sup 4+} ions. -- Abstract: Layered LiNi{sub 0.2}Mn{sub 0.2}Co{sub 0.6}O{sub 2} phase, belonging to a solid solution between LiNi{sub 1/2}Mn{sub 1/2}O{sub 2} and LiCoO{sub 2} most commercialized cathodes, was prepared via the combustion method at 900 Degree-Sign C for a short time (1 h). Structural and magnetic properties of this material during chemical extraction were investigated. The powders adopted the {alpha}-NaFeO{sub 2} structure with almost none of the well-known Li/Ni cation disorder. The analysis of the magnetic properties in the paramagnetic domain agrees with the combination of Ni{sup 2+} (S = 1), Co{sup 3+} (S = 0) and Mn{sup 4+} (S = 3/2) spin-only values. X-ray analysis of the chemically delithiated Li{sub y}Ni{sub 0.2}Mn{sub 0.2}Co{sub 0.6}O{sub 2} reveals no structural transition. The process of lithium extraction from and insertion into LiNi{sub 0.2}Mn{sub 0.2}Co{sub 0.6}O{sub 2} was discussed on the basis of ex situ EPR experiments and magnetic susceptibility. Oxidation of Ni{sup 2+} (S = 1) to Ni{sup 3+} (S = 1/2) and to Ni{sup 4+} (S = 0) was observed upon lithium removal.

  4. 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 NiIn 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 ? 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 NiIn 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.

  5. 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? (space group F-43?m), 7.618?, and 7.158? (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.

  6. 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.

  7. 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.

  8. Method of forming a dielectric thin film having low loss composition of Ba.sub.x Sr.sub.y Ca.sub.1-x-y TiO.sub.3 : Ba.sub.0.12-0.25 Sr.sub.0.35-0.47 Ca.sub.0.32-0.53 TiO.sub.3

    DOE Patents [OSTI]

    Xiang, Xiao-Dong (Alameda, CA); Chang, Hauyee (Berkeley, CA); Takeuchi, Ichiro (Albany, CA)

    2000-01-01T23:59:59.000Z

    A dielectric thin-film material for microwave applications, including use as a capacitor, the thin-film comprising a composition of barium strontium calcium and titanium of perovskite type (Ba.sub.x Sr.sub.y Ca.sub.1-x-y)TiO.sub.3. Also provided is a method for making a dielectric thin film of that formula over a wide compositional range through a single deposition process.

  9. 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.

  10. 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.

  11. Magnetodielectric Effect in the S = 1/2 Quasi-Two-Dimensional Antiferromagnet K<sub>2sub>V>3sub>O>8sub>

    SciTech Connect (OSTI)

    Rai, R. C. [University of Tennessee, Knoxville (UTK); Cao, J. [University of Tennessee, Knoxville (UTK); Musfeldt, J. L. [University of Tennessee, Knoxville (UTK); Singh, David J [ORNL; Wei, X. [Florida State University; Jin, Rongying [ORNL; Zhou, Zhixian [ORNL; Sales, Brian C [ORNL; Mandrus, David [ORNL

    2006-01-01T23:59:59.000Z

    We report the optical and magneto-optical properties of K{sub 2}V{sub 3}O{sub 8}, an S = 1/2 quasi-two-dimensional Heisenberg antiferromagnet. Local spin density approximation electronic structure calculations are used to assign the observed excitations and analyze the field-dependent features. Two large magneto-optical effects, centered at {approx}1.19 and 2.5 eV, are attributed to field-induced changes in the V{sup 4+} d {yields} d on-site excitations due to modification of the local crystal field environment of the VO{sub 5} square pyramids with applied magnetic field. Taken together, the evidence for a soft lattice, the presence of vibrational fine structure on the sharp 1.19 eV magneto-optical feature, and the fact that these optical excitations are due to transitions from a nearly pure spin-polarized V d state to hybridized states involving both V and O, suggest that the magneto-dielectric effect in K{sub 2}V{sub 3}O{sub 8} is driven by strong lattice coupling.

  12. Synthesis, structure and electrochemical properties of layered La{sub 2}Li{sub 2x}(CO{sub 3}){sub 1?x}O{sub 2+2x}

    SciTech Connect (OSTI)

    Iqbal, Muhammad, E-mail: iqbal@echem.titech.ac.jp [Department of Electronic Chemistry, Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology, 4259 Nagatsuta, Midori, Yokohama 226-8502 (Japan); National Centre for Physics, Quaid-i-Azam University, Islamabad 45320 (Pakistan); Kobayashi, Genki, E-mail: gkobayashi@kanagawa-u.ac.jp [Department of Material and Life Chemistry, Faculty of Engineering, Kanagawa University, 23-817 3-27-1, Rokkakubashi, Kanagawa, Yokohama 221-8686 (Japan); Hirayama, Masaaki, E-mail: hirayama@echem.titech.ac.jp [Department of Electronic Chemistry, Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology, 4259 Nagatsuta, Midori, Yokohama 226-8502 (Japan); Kanno, Ryoji, E-mail: kanno@echem.titech.ac.jp [Department of Electronic Chemistry, Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology, 4259 Nagatsuta, Midori, Yokohama 226-8502 (Japan)

    2013-10-15T23:59:59.000Z

    An oxide ion conductor, La{sub 2}Li{sub 2x}(CO{sub 3}){sub 1?x}O{sub 2+x} (x=0.15), was synthesized using a solid-state reaction, and its structure was subsequently determined by Rietveld refinement analyses of synchrotron X-ray and high-resolution powder neutron diffraction data. These analyses determined that carbonate groups are situated between (La{sub 2}O{sub 2}{sup 2+}){sub n} layers in an ordered arrangement and that both oxygen vacancies and interstitial oxygen ions exist within the carbonate layers, resulting in a composition of La{sub 2}Li{sub 0.3}(CO{sub 3}){sub 0.85}O{sub 2.3}. This material is structurally stable up to 500 C and exhibits a conductivity of 5.510{sup ?5} S cm{sup ?1} at 450 C. Oxide vacancies associated with carbonate anions appear to be responsible for the ionic conduction observed in this material. - Graphical abstract: Thermal ellipsoid projection of the carbonate layer viewed from the c-axis, showing oxygen migration paths: (A, blue line) interstitial hopping and (B, green line) co-operative rotation. Display Omitted - Highlights: Lithium insertion in the structure causes the structural changes in carbonate layer. These structural changes create oxygen vacancies within the flexible carbonate layers and introduce interstitial oxygen. These interstitial oxygen atoms and oxygen vacancies are involved in oxide ion diffusion through the carbonate layer.

  13. 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.

  14. Secondary kinetics of methanol decomposition : theoretical rate coefficients for {sup 3}CH{sub 2} + OH, {sup 3}CH{sub 2} + {sup 3}CH{sub 2}, and {sup 3}CH{sub 2} + CH{sub 3}.

    SciTech Connect (OSTI)

    Jasper, A. W.; Klippenstein, S. J.; Harding, L. B.; Chemistry

    2007-09-06T23:59:59.000Z

    Direct variable reaction coordinate transition state theory (VRC-TST) rate coefficients are reported for the {sup 3}CH{sub 2} + OH, {sup 3}CH{sub 2} + {sup 3}CH{sub 2}, and {sup 3}CH{sub 2} + CH{sub 3} barrierless association reactions. The predicted rate coefficient for the {sup 3}CH{sub 2} + OH reaction ({approx} 1.2 x 10{sup -10} cm{sup 3} molecule{sup -1} s{sup -1} for 300-2500 K) is 4-5 times larger than previous estimates, indicating that this reaction may be an important sink for OH in many combustion systems. The predicted rate coefficients for the {sup 3}CH{sub 2} + CH{sub 3} and {sup 3}CH{sub 2} + {sup 3}CH{sub 2} reactions are found to be in good agreement with the range of available experimental measurements. Product branching in the self-reaction of methylene is discussed, and the C{sub 2}H{sub 2} + 2H and C{sub 2}H{sub 2} + H{sub 2} products are predicted in a ratio of 4:1. The effect of the present set of rate coefficients on modeling the secondary kinetics of methanol decomposition is briefly considered. Finally, the present set of rate coefficients, along with previous VRC-TST determinations of the rate coefficients for the self-reactions of CH{sub 3} and OH and for the CH{sub 3} + OH reaction, are used to test the geometric mean rule for the CH{sub 3}, {sup 3}CH{sub 2}, and OH fragments. The geometric mean rule is found to predict the cross-combination rate coefficients for the {sup 3}CH{sub 2} + OH and {sup 3}CH{sub 2} + CH{sub 3} reactions to better than 20%, with a larger (up to 50%) error for the CH{sub 3} + OH reaction.

  15. A reduced graphene oxide/Co{sub 3}O{sub 4} composite for supercapacitor electrode

    SciTech Connect (OSTI)

    Xiang, Chengcheng; Li, Ming; Zhi, Mingjia; Manivannan, Ayyakkannu; Wu, Nianqiang

    2013-03-15T23:59:59.000Z

    20 nm sized Co{sub 3}O{sub 4} nanoparticles are in-situ grown on the chemically reduced graphene oxide (rGO) sheets to form a rGO-Co{sub 3}O{sub 4} composite during hydrothermal processing. The rGO-Co{sub 3}O{sub 4} composite is employed as the pseudocapacitor electrode in the 2 M KOH aqueous electrolyte solution. The rGOCo{sub 3}O{sub 4} composite electrode exhibits a specific capacitance of 472 F/g at a scan rate of 2 mV/s in a two-electrode cell. 82.6% of capacitance is retained when the scan rate increases to 100 mV/s. The rGOCo{sub 3}O{sub 4} composite electrode shows high rate capability and excellent long-term stability. It also exhibits high energy density at relatively high power density. The energy density reaches 39.0 Wh/kg at a power density of 8.3 kW/kg. The super performance of the composite electrode is attributed to the synergistic effects of small size and good redox activity of the Co{sub 3}O{sub 4} particles combined with high electronic conductivity of the rGO sheets.

  16. Recovery of UO{sub 2}/PuO{sub 2} in IFR electrorefining process

    DOE Patents [OSTI]

    Tomczuk, Z.; Miller, W.E.

    1992-01-01T23:59:59.000Z

    This invention is comprised of a process for converting PuO{sub 2} and U0{sub 2} present in an electrorefiner to the chlorides, by contacting the PuO{sub 2} and U0{sub 2} with Li metal in the presence of an alkali metal chloride salt substantially free of rare earth and actinide chlorides for a time and at a temperature sufficient to convert the U0{sub 2} and PuO{sub 2} to metals while converting Li metal to Li{sub 2}O. Li{sub 2}O is removed either by reducing with rare earth metals or by providing an oxygen electrode for transporting 0{sub 2} out of the electrorefiner and a cathode, and thereafter applying an emf to the electrorefiner electrodes sufficient to cause the Li{sub 2}O to disassociate to 0{sub 2} and Li metal but insufficient to decompose the alkali metal chloride salt. The U and Pu and excess lithium are then converted to chlorides by reaction with CdCl{sub 2}.

  17. Crystal structure determination of the oxynitride Sr{sub 2}TaO{sub 3}N

    SciTech Connect (OSTI)

    Diot, N.; Marchand, R. [Univ. de Rennes 1 (France). Lab. Verres et Ceramiques] [Univ. de Rennes 1 (France). Lab. Verres et Ceramiques; Haines, J.; Leger, J.M. [CNRS, Meudon (France). Lab. de Physicochimie des Materiaux] [CNRS, Meudon (France). Lab. de Physicochimie des Materiaux; Macaudiere, P. [Centre de Recherches d`Aubervilliers (France)] [Centre de Recherches d`Aubervilliers (France); Hull, S. [Rutherford Appleton Lab., Didcot (United Kingdom). ISIS Science Div.] [Rutherford Appleton Lab., Didcot (United Kingdom). ISIS Science Div.

    1999-09-01T23:59:59.000Z

    The crystal structure of the strontium tantalum oxynitride Sr{sub 2}TaO{sub 3}N has been resolved by Rietveld refinement using time-of-flight neutron powder diffraction data. The structure is of the K{sub 2}NiF{sub 4} type with a partially ordered anion sublattice (tetragonal, I4/mmm, a = 4.04127(3) {angstrom}, c = 12.6073(2) {angstrom}, c/a = 3.120, Z = 2). The tantalum atoms are at the center of TaO{sub 2}(O, N){sub 4} octahedra built up from two oxygen atoms at the apexes and four (N + O) atoms statistically forming the median plane. The strontium atoms have a coordination number of nine: SrO{sub 5}(O, N){sub 4}. The profile agreement factors are R{sub p} = 0.022, R{sub wp} = 0.016, R{sub exp} = 0.012, and R{sub 1} = 0.063.

  18. Crystal structure determination of the oxynitride Sr[sub 2]TaO[sub 3]N

    SciTech Connect (OSTI)

    Diot, N.; Marchand, R. (Univ. de Rennes 1 (France). Lab. Verres et Ceramiques); Haines, J.; Leger, J.M. (CNRS, Meudon (France). Lab. de Physicochimie des Materiaux); Macaudiere, P. (Centre de Recherches d'Aubervilliers (France)); Hull, S. (Rutherford Appleton Lab., Didcot (United Kingdom). ISIS Science Div.)

    1999-09-01T23:59:59.000Z

    The crystal structure of the strontium tantalum oxynitride Sr[sub 2]TaO[sub 3]N has been resolved by Rietveld refinement using time-of-flight neutron powder diffraction data. The structure is of the K[sub 2]NiF[sub 4] type with a partially ordered anion sublattice (tetragonal, I4/mmm, a = 4.04127(3) [angstrom], c = 12.6073(2) [angstrom], c/a = 3.120, Z = 2). The tantalum atoms are at the center of TaO[sub 2](O, N)[sub 4] octahedra built up from two oxygen atoms at the apexes and four (N + O) atoms statistically forming the median plane. The strontium atoms have a coordination number of nine: SrO[sub 5](O, N)[sub 4]. The profile agreement factors are R[sub p] = 0.022, R[sub wp] = 0.016, R[sub exp] = 0.012, and R[sub 1] = 0.063.

  19. Recovery of UO[sub 2]/PuO[sub 2] in IFR electrorefining process

    DOE Patents [OSTI]

    Tomczuk, Z.; Miller, W.E.

    1994-10-18T23:59:59.000Z

    A process is described for converting PuO[sub 2] and UO[sub 2] present in an electrorefiner to the chlorides, by contacting the PuO[sub 2] and UO[sub 2] with Li metal in the presence of an alkali metal chloride salt substantially free of rare earth and actinide chlorides for a time and at a temperature sufficient to convert the UO[sub 2] and PuO[sub 2] to metals while converting Li metal to Li[sub 2]O. Li[sub 2]O is removed either by reducing with rare earth metals or by providing an oxygen electrode for transporting O[sub 2] out of the electrorefiner and a cathode, and thereafter applying an emf to the electrorefiner electrodes sufficient to cause the Li[sub 2]O to disassociate to O[sub 2] and Li metal but insufficient to decompose the alkali metal chloride salt. The U and Pu and excess lithium are then converted to chlorides by reaction with CdCl[sub 2].

  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 Matire Condense et des Nanosciences (LMCN), Dpartement de Physique, Facult 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 Universit, Case 913, Campus de Luminy, 13288 Marseille cedex 9 (France); Bournel, A. [Institut d'Electronique Fondamentale (IEF), UMR CNRS 8622, Universit Paris-Sud, Bt. 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 Schrdinger 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.

  1. FIRST DETECTION OF c-C{sub 3}H{sub 2} IN A CIRCUMSTELLAR DISK

    SciTech Connect (OSTI)

    Qi Chunhua; Wilner, David J.; Rosenfeld, Katherine A. [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Oeberg, Karin I. [Departments of Chemistry and Astronomy, University of Virginia, Charlottesville, VA 22904 (United States)

    2013-03-01T23:59:59.000Z

    We report the first detection of c-C{sub 3}H{sub 2} in a circumstellar disk. The c-C{sub 3}H{sub 2} J = 6-5 line (217.882 GHz) is detected and imaged through Atacama Large Millimeter Array (ALMA) Science Verification observations toward the disk around the Herbig Ae star HD 163296 at 0.''8 resolution. The emission is consistent with that arising from a Keplerian rotating disk. Two additional c-C{sub 3}H{sub 2} transitions are also tentatively detected, bolstering the identification of this species, but with insufficient signal-to-noise ratio to constrain the spatial distribution. Using a previously developed model for the physical structure of this disk, we fit a radial power-law distribution model to the c-C{sub 3}H{sub 2} 6-5 emission and find that c-C{sub 3}H{sub 2} is present in a ring structure from an inner radius of about 30 AU to an outer radius of about 165 AU. The column density is estimated to be 10{sup 12}-10{sup 13} cm{sup -2}. The clear detection and intriguing ring structure suggest that c-C{sub 3}H{sub 2} has the potential to become a useful probe of radiation penetration in disks.

  2. Optimal Transportation on Sub-Riemannian Manifolds

    E-Print Network [OSTI]

    Rifford, Ludovic

    Optimal Transportation on Sub-Riemannian Manifolds Ludovic Rifford Universit´e de Nice - Sophia Antipolis (Joint work with A. Figalli) Ludovic Rifford Optimal Transportation on Sub-Riemannian Manifolds #12;Monge's Optimal Transportation Problem Let M be a separable metric space equipped with its Borel

  3. Optimal Transportation on Sub-Riemannian Manifolds

    E-Print Network [OSTI]

    Rifford, Ludovic

    Optimal Transportation on Sub-Riemannian Manifolds Ludovic Rifford Universit´e de Nice - Sophia Antipolis (Joint work with A. Figalli) Ludovic Rifford Optimal Transportation on Sub-Riemannian Manifolds #12;Outline I. Statement of our optimal transportation problem II. Sketch of proof of the Mc

  4. How to control NO{sub x}

    SciTech Connect (OSTI)

    Rossi, N.J. [Solvay Interox, Houston, TX (United States)

    1995-04-01T23:59:59.000Z

    A number of methods can control emissions of NO{sub x} gases that result from the use of nitric acid. In general, treatment options can be placed in three categories: NO{sub x} can be treated at the discharge site; by suppression of NO{sub x} at the source; and by elimination of nitric acid from the process. The most effective way to prevent the emission of NO{sub x} into the atmosphere is to suppress it at its source before it evolves from solution. Hydrogen peroxide can be added directly to a process using nitric acid. The H{sub 2}O reacts instantaneously with HNO as it is formed, before it decomposes to NO and NO{sub x}. As in the case of gas scrubbing with hydrogen peroxide, nitric acid is formed as a reaction product. Urea also can be used to suppress the formation of NO{sub x}, but this method requires an increased consumption of nitric acid. Substituting hydrogen peroxide for nitric acid in the manufacturing process provides the best solution to the problem of NO{sub x} emissions.

  5. Synthesis of solid solution Er{sub 2-x}Ce{sub x}W{sub 3}O{sub 12} and studies of their thermal expansion behavior.

    SciTech Connect (OSTI)

    Wu, M. M.; Cheng, Y. Z.; Peng, J.; Xiao, X. L.; Chen, D. F.; Kiyanagi, R.; Fieramosca, J. S.; Short, S.; Jorgensen, J.; Hu, Z. B.; Graduate Univ. Chinese Academy of Sciences; China Inst. of Atomic Energy

    2007-01-30T23:59:59.000Z

    The syntheses and structures of Er{sub 2-x}Ce{sub x}W{sub 3}O{sub 12} were studied. It was found that pure phases could form only for 0.0 {le} x {le} 0.4 and 1.5 {le} x {le} 2.0. Compounds with 0 {le} x {le} 0.4 have the hydrated orthorhombic structure at room temperature and transform to unhydrated orthorhombic one above 135 C whereas samples with 1.5 {le} x {le} 2.0 crystallize in monoclinic structure. Thermal expansion properties of Er{sub 2-x}Ce{sub x}W{sub 3}O{sub 12} were studied with high temperature X-ray powder diffraction. Samples with 0 {le} x {le} 0.4 exhibit negative thermal expansion in temperature range of 200-800 C and higher cerium content leads to more negative thermal expansion coefficient. However, compounds with 1.5 {le} x {le} 2.0 show positive thermal expansion owing to the edge-sharing polyhedra.

  6. Synthesis and characterization of ultrafine Ln{sub 2}Ti{sub 2}O{sub 7} (Ln = Sm, Gd, Dy, Er) pyrochlore oxides by stearic acid method

    SciTech Connect (OSTI)

    Zhang Weiguang, E-mail: zhangweiguang68@yahoo.com.cn [Jiangsu Key Laboratory for Chemistry of Low-Dimensional Materials, Huaiyin Normal University, Jiangsu Province, 223300 (China); Zhang Lili; Zhong Hui [Jiangsu Key Laboratory for Chemistry of Low-Dimensional Materials, Huaiyin Normal University, Jiangsu Province, 223300 (China); Lu Lude; Yang Xujie [Materials Chemistry Laboratory, Nanjing University of Science and Technology, Nanjing 210094 (China); Wang Xin, E-mail: wangx@mail.njust.edu.cn [Materials Chemistry Laboratory, Nanjing University of Science and Technology, Nanjing 210094 (China)

    2010-02-15T23:59:59.000Z

    Stearic acid method (SAM) was developed to synthesize series of pyrochlore Ln{sub 2}Ti{sub 2}O{sub 7} (Ln = Sm, Gd, Dy, Er) nanocrystals. The synthesis process was monitored by X-ray diffraction, Thermal-gravimetric-differential thermal analysis and Fourier Transform InfraRed methods. Comparing with traditional solid-state reaction (SSR), Ln{sub 2}Ti{sub 2}O{sub 7} can be synthesized at relatively low temperature (700-800 deg. C) with shortened reaction time (2-4 h). The average particle size of Ln{sub 2}Ti{sub 2}O{sub 7} was greatly reduced (ca. 40 nm) and the BET surface area was increased (ca. 12 m{sup 2}/g) by using SAM. From the X-ray diffraction patterns, we found that Ln has an effect on the crystal structure of Ln{sub 2}Ti{sub 2}O{sub 7}, every lattice peak shifted to larger angle slightly with the increasing atomic number of Ln. Also, the lattice constant of Ln{sub 2}Ti{sub 2}O{sub 7} was calculated by Jade.5 and found it decreased along with the decrease of ionic radius of Ln{sup 3+}. The morphology of obtained Ln{sub 2}Ti{sub 2}O{sub 7} was determined by transmission electron microscopy technique. Results showed that the obtained Ln{sub 2}Ti{sub 2}O{sub 7} were all square-like and the interplanar distance of Ln{sub 2}Ti{sub 2}O{sub 7} (Ln = Sm, Gd, Dy, Er) according to (111) plane was 0.65, 0.64, 0.63, and 0.62 nm respectively, which was measured from High Resolution Transmission Electron Microscopy images. Possible reason for this phenomenon was presented.

  7. Crystal structure and magnetic properties of two new cobalt selenite halides: Co{sub 5}(SeO{sub 3}){sub 4} X {sub 2} (X=Cl, Br)

    SciTech Connect (OSTI)

    Becker, Richard [Department of Inorganic Chemistry, Stockholm University, S-106 91 Stockholm (Sweden)], E-mail: richard@inorg.su.se; Prester, Mladen [Institute of Physics, P.O. Box 304, HR-10000 Zagreb (Croatia); Berger, Helmuth [Institut de Physique de la Matiere Complexe, Ecole Polytechnique Federale de Lausanne, CH-1015 Lausanne (Switzerland); Hui Lin, Ping [Institut de Physique de la Matiere Complexe, Ecole Polytechnique Federale de Lausanne, CH-1015 Lausanne (Switzerland); Institute of Physics, Academia Sinica Nankang, Taipei 11529, Taiwan, ROC (China); Johnsson, Mats [Department of Inorganic Chemistry, Stockholm University, S-106 91 Stockholm (Sweden); Drobac, Djuro [Institute of Physics, P.O. Box 304, HR-10000 Zagreb (Croatia); Zivkovic, Ivica [Institute of Physics, P.O. Box 304, HR-10000 Zagreb (Croatia)

    2007-03-15T23:59:59.000Z

    Two new isostructural cobalt selenite halides Co{sub 5}(SeO{sub 3}){sub 4}Cl{sub 2} and Co{sub 5}(SeO{sub 3}){sub 4}Br{sub 2} have been synthesized. They crystallize in the triclinic system space group P-1 with the following lattice parameters for Co{sub 5}(SeO{sub 3}){sub 4}Cl{sub 2}: a=6.4935(8) A, b=7.7288(8) A, c=7.7443(10) A, {alpha}=66.051(11){sup o}, {beta}=73.610(11){sup o}, {gamma}=81.268(9){sup o}, and Z=1. The crystal structures were solved from single-crystal X-ray data, R1=3.73 and 4.03 for Co{sub 5}(SeO{sub 3}){sub 4}Cl{sub 2} and Co{sub 5}(SeO{sub 3}){sub 4}Br{sub 2}, respectively. The new compounds are isostructural to Ni{sub 5}(SeO{sub 3}){sub 4}Br{sub 2}. Magnetic susceptibility measurements on oriented single-crystalline samples show anisotropic response in a broad temperature range. The anisotropic susceptibility is quantitatively interpreted within the zero-field splitting schemes for Co{sup 2+} and Ni{sup 2+} ions. Sharp low-temperature susceptibility features, at T {sub N}=18 and 20 K for Co{sub 5}(SeO{sub 3}){sub 4}Cl{sub 2} and Co{sub 5}(SeO{sub 3}){sub 4}Br{sub 2}, respectively, are ascribed to antiferromagnetic ordering in a minority magnetic subsystem. In isostructural Ni{sub 5}(SeO{sub 3}){sub 4}Br{sub 2} magnetically ordered subsystem represents a majority fraction (T {sub N}=46 K). Nevertheless, anisotropic susceptibility of Ni{sub 5}(SeO{sub 3}){sub 4}Br{sub 2} is dominated at low temperatures by a minority fraction, subject to single-ion anisotropy effects and increasing population of S{sub z} =0 (singlet) ground state of octahedrally coordinated Ni{sup 2+}. - Graphical abstract: Two new iso-structural cobalt selenite halides Co{sub 5}(SeO{sub 3}){sub 4}Cl{sub 2} and Co{sub 5}(SeO{sub 3}){sub 4}Br{sub 2} have been synthesized which are iso-structural to Ni{sub 5}(SeO{sub 3}){sub 4}Br{sub 2}. Magnetic susceptibility measurements on oriented single-crystalline samples show anisotropic response in a broad temperature range, revealing significant single-ion anisotropy effects.

  8. 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

  9. Dynamic magnetic interaction in La{sub 2/3}Sr{sub 1/3}MnO{sub 3}/BiFeO{sub 3} heterostructure

    SciTech Connect (OSTI)

    Guo, H. Y. [Center for Condensed Matter Sciences, National Taiwan University, No. 1, Sec. 4, Roosevelt Rd., Taipei 10617, Taiwan (China); College of Electronic Information and Business, Qingdao Huanghai University, No. 3111, Linghai Rd., Huangdao District, Qingdao 266427 (China); Lin, J. G., E-mail: jglin@ntu.edu.tw [Center for Condensed Matter Sciences, National Taiwan University, No. 1, Sec. 4, Roosevelt Rd., Taipei 10617, Taiwan (China); Yang, Jan Chi [Department of Materials Science and Engineering, National Chiao Tung University, 1001 University Rd., HsinChu 30010, Taiwan (China); Chu, Y. H. [Department of Materials Science and Engineering, National Chiao Tung University, 1001 University Rd., HsinChu 30010, Taiwan (China); Institute of Physics, Academia Sinica, Taipei 105, Taiwan (China)

    2014-09-15T23:59:59.000Z

    The La{sub 2/3}Sr{sub 1/3}MnO{sub 3}/BiFeO{sub 3} (LSMO/BFO) heterostructure is studied as probed by temperature-dependent ferromagnetic resonance (FMR). Consistent with the structure analysis, two FMR modes are found for both a single LSMO layer and a LSMO/BFO bilayer grown on DyScO{sub 3}, corresponding to the strained and relaxed phases of LSMO. The FMR linewidth intensity vs temperature curve shows two maxima at 200?K and 140?K in the strained phase of LSMO/BFO bilayer, which is related to the magnetic excitations in BFO. Our results demonstrate a dynamic spin interaction between LSMO and BFO, suggesting an effective route to manipulate the magnetic properties of oxide heterostructures.

  10. Glass formation and the third harmonic generation of Cu{sub 2}SeGeSe{sub 2}As{sub 2}Se{sub 3} glasses

    SciTech Connect (OSTI)

    Reshak, A. H., E-mail: maalidph@yahoo.co.uk [New Technologies-Research Centre, University of West Bohemia, Univerzitni 8, 306 14 Pilsen (Czech Republic); Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia); Klymovych, O. S.; Zmiy, O. F. [Department of Inorganic and Physical Chemistry, Lesya Ukrainka Eastern European National University, Voli Av. 13, 43025 Lutsk (Ukraine); Myronchuk, G. L.; Zamuruyeva, O. V. [Department of Physics, Lesya Ukrainka Eastern European National University, Voli Av. 13, 43025 Lutsk (Ukraine); Alahmed, Z. A. [Department of Physics and Astronomy, King Saud University, Riyadh 11451 (Saudi Arabia); Chysk, J.; Bila, Jiri [Department of Instrumentation and Control Engineering, Faculty of Mechanical Engineering, CTU in Prague, Technicka 4, 166 07 Prague 6 (Czech Republic); Kamarudin, H. [Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia)

    2014-10-14T23:59:59.000Z

    We have performed the investigation of the nonlinear optical properties namely the third harmonic generation (THG) of the glass-formation region in the Cu{sub 2}SeGeSe{sub 2}As{sub 2}Se{sub 3} system. The samples were synthesized by direct single-temperature method from high-purity elementary substances. We have found that the value of disorder parameter ? depends on the composition of the glassy alloys. The measurements show that increasing the Cu{sub 2}Se concentration leads to increased slope of the absorption edge, which may be explained by the decrease of the height of random potential relief for the electrons in the tails of the state density which border the band edges. A very sharp increase in the THG at low temperature was observed. Significant enhancement in THG was obtained with decreasing the energy gap, which agreed well with the nonlinear optical susceptibilities obtained from other glasses.

  11. Suppression of the metal-insulator transition by magnetic field in (Pr{sub 1?y}Y{sub y}){sub 0.7}Ca{sub 0.3}CoO{sub 3} (y?=?0.0625)

    SciTech Connect (OSTI)

    Naito, Tomoyuki, E-mail: tnaito@iwate-u.ac.jp; Fujishiro, Hiroyuki [Faculty of Engineering, Iwate University, Morioka 020-8551 (Japan); Nishizaki, Terukazu; Kobayashi, Norio [Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan); Hejtmnek, Ji?; Knek, Karel; Jirk, Zden?k [Institute of Physics, ASCR, Cukrovarnick 10, 162 00 Prague 6 (Czech Republic)

    2014-06-21T23:59:59.000Z

    The (Pr{sub 1?y}Y{sub y}){sub 0.7}Ca{sub 0.3}CoO{sub 3} compound (y?=?0.0625, T{sub MI-SS}=40?K), at the lower limit for occurrence of the first-order metal-insulator (MI) and simultaneous spin-state (SS) transitions, has been studied using electrical resistivity and magnetization measurements in magnetic fields up to 17?T. The isothermal experiments demonstrate that the low-temperature insulating phase can be destabilized by an applied field and the metallic phase returns well below the transition temperature T{sub MI-SS}. The reverse process with decreasing field occurs with a significant hysteresis. The temperature scans taken at fixed magnetic fields reveal a parabolic-like decrease in T{sub MI-SS} with increasing field strength and a complete suppression of the MI-SS transition in fields above 9?T.

  12. Trapping helium in Y{sub 2}Ti{sub 2}O{sub 7} compared to in matrix iron: A first principles study

    SciTech Connect (OSTI)

    Yang, Litong [School of Materials Science and Engineering, Central South University, Changsha 410083 (China); Key Lab of Nonferrous Materials of Ministry of Education, Central South University, Changsha 410083 (China); Jiang, Yong, E-mail: yjiang@csu.edu.cn, E-mail: odette@engineering.ucsb.edu [School of Materials Science and Engineering, Central South University, Changsha 410083 (China); Key Lab of Nonferrous Materials of Ministry of Education, Central South University, Changsha 410083 (China); State Key Laboratory for Powder Metallurgy, Central South University, Changsha 410083 (China); Robert Odette, G., E-mail: yjiang@csu.edu.cn, E-mail: odette@engineering.ucsb.edu; Yamamoto, Takuya [Materials Department, University of California, Santa Barbara, California 93106 (United States); Liu, Zuming; Liu, Yong [State Key Laboratory for Powder Metallurgy, Central South University, Changsha 410083 (China)

    2014-04-14T23:59:59.000Z

    Pyrochlore Y{sub 2}Ti{sub 2}O{sub 7} is a primary precipitate phase in nano-structured ferritic alloys (NFAs) for fission and fusion energy applications. We report a theoretical study for assessing the relative stability of trapping helium in Y{sub 2}Ti{sub 2}O{sub 7} versus in matrix iron. Various defect structures and the associated energies are examined and compared. Results reveal that helium can be deeply trapped in Y{sub 2}Ti{sub 2}O{sub 7} and that the corresponding self-interaction is essentially repulsive. Transmutant helium in NFAs prefers to occupy individual octa-interstitial sites in Y{sub 2}Ti{sub 2}O{sub 7}, before forming small clusters in Y{sub 2}Ti{sub 2}O{sub 7}. Helium partitioning in NFAs depends on the number and dispersion of Y{sub 2}Ti{sub 2}O{sub 7}; and thus initially, bubble formation and growth in iron matrix can be largely suppressed. Charge transfer occurs from helium to neighboring oxygen anions, but not to neighboring metal cations, suggesting a general effectiveness of trapping helium in oxides. Reasons for the ultimate fate of helium to form small nm-scale interface bubbles are also discussed.

  13. Synthesis and structural transformations of the glaserite type zirconosilicate Na{sub 3?x}H{sub 1+x}ZrSi{sub 2}O{sub 8}yH{sub 2}O

    SciTech Connect (OSTI)

    Kostov-Kytin, Vladislav V., E-mail: vkytin@abv.bg [Institute of Mineralogy and Crystallography, Bulgarian Academy of Science, Acad. G. Bonchev Str., Bl. 107 1113, Sofia (Bulgaria); Nikolova, Rosica P.; Nihtianova, Diana D. [Institute of Mineralogy and Crystallography, Bulgarian Academy of Science, Acad. G. Bonchev Str., Bl. 107 1113, Sofia (Bulgaria)] [Institute of Mineralogy and Crystallography, Bulgarian Academy of Science, Acad. G. Bonchev Str., Bl. 107 1113, Sofia (Bulgaria)

    2012-09-15T23:59:59.000Z

    Highlights: ? Hydrothermal synthesis of hydrous zirconosilicate Na{sub 3}HZrSi{sub 2}O{sub 8}0.5H{sub 2}O is reported. ? Gradual symmetry lowering is observed upon synthesis treatment. ? This compound's modifications possess glaserite-type structure. ? This is a rare case of water-containing material with glaserite-type structure. -- Abstract: A hydrous sodium zirconosilicate material with glaserite type structure and generalized formula Na{sub 3?x}H{sub 1+x}ZrSi{sub 2}O{sub 8}yH2O, 0 < x < 3, 0 < y < 1 is synthesized in the system Na{sub 2}O:ZrO{sub 2}:SiO{sub 2}:H{sub 2}O at 200 C. Its crystal structure is composed of zirconium and silicon polyhedra connected to build layers additionally stacked to form 3D zipper-like network. Within the network there are cavities interconnected to channels with irregular shapes where the sodium atoms and water molecules reside. It is found that with synthesis duration the crystal structure gradually transforms from higher symmetrical into triclinic one. The structure of the triclinic form Na{sub 3}HZrSi{sub 2}O{sub 8}0.4H{sub 2}O was refined from powder diffraction data. It crystallizes in the space group P-1 with lattice parameters a = 9.05234, b = 5.56121, c = 6.96219 ?, ? = 92.178, ? = 90.839, ? = 90.288. To the best of our knowledge the studied compound is the only water-containing material with glaserite type structure.

  14. Volatile tritiated organic acids in stack effluents and in air surrounding contaminated materials

    SciTech Connect (OSTI)

    Belot, Y.; Camus, H.; Marini, T.; Raviart, S. (Institut de Protection et de Surete Nucleaire (France))

    1993-06-01T23:59:59.000Z

    A small fraction of the tritium released into the atmosphere from tritium-handling or solid waste storage facilities was shown to be in the form of volatile organic acids. The same compounds were also found, but at a much higher proportion, in the tritium evolved at room temperature from highly contaminated materials placed under air atmospheres. This might be due to the oxidation and labeling of hydrocarbon(s) by mechanisms that are presumably of a radiolytic nature. The new forms could have an impact on operational requirements and waste management strategies within a tritium facility and a fusion reactor hall. Further data are needed to assess the related doses.

  15. Photo-activated luminescence sensor and method of detecting trichloroethylene and related volatile organochloride compounds

    DOE Patents [OSTI]

    Dinh, Tuan V. (Knoxville, TN)

    1996-01-01T23:59:59.000Z

    A sensor for detecting trichloroethylene and related volatile organochloride compounds uses a photo-activator that produces a photo-product complex with the contaminant. Characteristics of the light emitted from the complex will indicate the presence of the contaminant. A probe containing the photo-activator has an excitation light interface and a contaminant interface. One particular embodiment uses a porous membrane as the contaminant interface, so that the contaminant can migrate therethrough to the photo-activator and thereby form the complex.

  16. Photo-activated luminescence sensor and method of detecting trichloroethylene and related volatile organochloride compounds

    DOE Patents [OSTI]

    Dinh, T.V.

    1996-06-11T23:59:59.000Z

    A sensor for detecting trichloroethylene and related volatile organochloride compounds uses a photo-activator that produces a photo-product complex with the contaminant. Characteristics of the light emitted from the complex will indicate the presence of the contaminant. A probe containing the photo-activator has an excitation light interface and a contaminant interface. One particular embodiment uses a porous membrane as the contaminant interface, so that the contaminant can migrate there through to the photo-activator and thereby form the complex. 23 figs.

  17. Literature review of stabilization/solidification of volatile organic compounds and the implications for Hanford grouts

    SciTech Connect (OSTI)

    Spence, R.D.; Osborne, S.C.

    1993-09-01T23:59:59.000Z

    A literature review was conducted on the stabilization/solidification of volatile organic compounds (VOCs). Based on this literature, it is likely that the limestone-containing grout will not permanently immobilize VOCs and that no presently available additives can guarantee permanent immobilization. The Westinghouse hanford company grout may be fairly effective at retarding aqueous leaching of VOCs, and commercial additives can improve this performance. Significant VOC losses do occur during stabilization/solidification, and the high temperatures of the Westinghouse Hanford Company waste and grout should exacerbate this problem. In fact, these high temperatures raise doubts about the presence of VOCs in the double-shell tanks supernates.

  18. Ammonia volatilization and nitrogen transformations in high pH soils used for beef manure disposal

    E-Print Network [OSTI]

    Peters, Robert Edgar

    1972-01-01T23:59:59.000Z

    . The total nitrogen losses in the limed treatments were believed to be caused by the high solubility of organic matter in high pH solutions followed by chemical volatilization of nitrogen as ammonia. Most of this ammonia was believed to have remained... as par t of the soil air and was lost when the soil samples were taken from the columns. Denitrification was believed to be responsible for losses in the unlimed treatments. Comparison of final organic and total inorganic nitrogen concen- trationss...

  19. Extended Research on Detection of Deception Using Volatile Organic Compound (VOC) Emissions

    SciTech Connect (OSTI)

    Center for Human Reliability Studies

    2006-06-01T23:59:59.000Z

    A system that captures and analyzes volatile organic compound (VOC) emissions from skin surfaces may offer a viable alternative method to the polygraph instrument currently in use for detecting deception in U.S. government settings. Like the involuntary autonomic central nervous system response data gathered during polygraph testing, VOC emissions from the skin may provide data that can be used to detect stress caused by deception. Detecting VOCs, then, may present a noninvasive, non-intrusive method for observing, recording, and quantifying evidence of stress or emotional change.

  20. The crystal and magnetic structures of LaCa{sub 2}Fe{sub 3-x}M{sub x}O{sub 8} (M=Al, Ga, In)

    SciTech Connect (OSTI)

    Goossens, D.J., E-mail: goossens@rsc.anu.edu.au [Research School of Chemistry, Australian National University, Canberra 0200 (Australia); Henderson, L.S.F.; Trevena, S. [School of Engineering, Australian National University, Canberra 0200 (Australia)] [School of Engineering, Australian National University, Canberra 0200 (Australia); Hudspeth, J.M. [Research School of Physics and Engineering, Australian National University, Canberra 0200 (Australia)] [Research School of Physics and Engineering, Australian National University, Canberra 0200 (Australia); Avdeev, M.; Hester, J.R. [The Bragg Institute, Australian Nuclear Science and Technology Organisation, Lucas Heights, NSW 2234 (Australia)] [The Bragg Institute, Australian Nuclear Science and Technology Organisation, Lucas Heights, NSW 2234 (Australia)

    2012-12-15T23:59:59.000Z

    LaCa{sub 2}Fe{sub 3}O{sub 8} (A{sub 3}B{sub 3}O{sub 8}) is an example of a layered structure in that it consists of pairs of octahedral, perovskite-like layers alternating with a single tetrahedral layer. This work explores the doping of non-magnetic group 13 elements, M=Al, Ga and In, onto the B-site of LaCa{sub 2}Fe{sub 3-x}M{sub x}O{sub 8} as a function of x. The structural and magnetic effects are examined using a combination of neutron and X-ray diffraction. Solubility limits are established. It is found that for M=Ga the solubility limit occurs between x=1.0 and x=1.25, for the synthesis conditions used, while there is evidence for low (x<0.25) but non-zero substitution of Al. Structural refinements at x=1 suggest that Ga prefers neither the tetrahedral nor octahedral sites. The magnetic structure of LaCa{sub 2}Fe{sub 2}GaO{sub 8} has been examined using neutron diffraction at 3.2 K and room temperature. At low temperature the staggered moment per Fe{sup 3+} is 3.8(1){mu}{sub B} in LaCa{sub 2}Fe{sub 3}O{sub 8} and 4.8(1){mu}{sub B} in LaCa{sub 2}Fe{sub 2}GaO{sub 8}. The magnetic space group (P{sub 2b}2{sub 1} Prime ma Prime ) and moment direction (along c) does not appear to change with Ga substitution. - Graphical abstract: Solubility limits for group 13 elements in LaCa{sub 2}Fe{sub 3}O{sub 8}. Highlights: Black-Right-Pointing-Pointer Solubility limits for group 13 elements in LaCa{sub 2}Fe{sub 3}O{sub 8} are determined. Black-Right-Pointing-Pointer Evolution of the magnetic structure with temperature and doping is explored using neutron scattering. Black-Right-Pointing-Pointer The magnetic space group is quoted as P{sub 2b}2{sub 1}'ma' and the staggered moments are obtained for LaCa{sub 2}Fe{sub 3}O{sub 8} and LaCa{sub 2}Fe{sub 2}GaO{sub 8}.

  1. Synthesis, crystal structure and properties of [(dien){sub 2}Mn]Ge{sub 2}S{sub 4} with mixed-valent Ge centers

    SciTech Connect (OSTI)

    Yue, Cheng-Yang; Yuan, Zhuang-Dong; Zhang, Lu-Ge; Wang, Ya-Bai; Liu, Guo-Dong; Gong, Liao-Kuo [Key Laboratory of Inorganic Chemistry in Universities of Shandong, Department of Chemistry and Chemical Engineering, Jining University, Qufu, Shandong 273155 (China); Lei, Xiao-Wu, E-mail: xwlei_jnu@163.com [Key Laboratory of Inorganic Chemistry in Universities of Shandong, Department of Chemistry and Chemical Engineering, Jining University, Qufu, Shandong 273155 (China); State Key Laboratory of Crystal Materials, Institute of Crystal Materials, Shandong University, Jinan, Shandong 250100 (China)

    2013-10-15T23:59:59.000Z

    One new manganese thiogermanate, [(dien){sub 2}Mn]Ge{sub 2}S{sub 4} (dien=diethylenetriamine), was prepared under mild solvothermal conditions and structurally and spectroscopically characterized. The title compound crystallizes in the orthorhombic system, chiral space group P2{sub 1}2{sub 1}2{sub 1} (no. 19) with a=9.113(4) , b=12.475(5) , c=17.077(7) , V=1941.5(15) {sup 3} and Z=4. Its structure features a three-dimensional (3D) network composed of a one-dimensional (1D) [Ge{sub 2}S{sub 4}]{sup 2?} anionic chain and a [(dien){sub 2}Mn]{sup 2+} complex interconnected via various hydrogen bonds. The most interesting structural feature of the compound is the presence of two different oxidation states of germanium centers in the 1D [Ge{sub 2}S{sub 4}]{sup 2?} chain, which is also supported by the result of X-ray photoelectron spectroscopy measurement. The optical property of the title compound has also been studied by UVvis spectra. - Graphical abstract: One new thiogermanate, [(dien){sub 2}Mn]Ge{sub 2}S{sub 4}, contains a one-dimensional [Ge{sub 2}S{sub 4}]{sup 2?} anionic chain with two different oxidation states of germanium centers. Display Omitted - Highlights: One new manganese thiogermanate [(dien){sub 2}Mn]Ge{sub 2}S{sub 4} was prepared. The compound features 1D [Ge{sub 2}S{sub 4}]{sup 2?} chain composed of [Ge{sup II}S{sub 4}] and [Ge{sup IV}S{sub 4}] tetrahedra. The first example of inorganicorganic hybrid thiogermanates with mixed valent Ge centers.

  2. Thermoelectric properties of n-type Bi{sub 2}(Te{sub 1{minus}x}Se{sub x}){sub 3} fabricated by mechanical alloying and hot pressing

    SciTech Connect (OSTI)

    Kim, H.J.; Choi, J.S.; Oh, T.S.; Hyun, D.B.

    1997-07-01T23:59:59.000Z

    Thermoelectric properties of polycrystalline Bi{sub 2}(Te{sub 1{minus}x}Se{sub x}){sub 3} (0.05 {le} x {le} 0.25), fabricated by mechanical alloying and hot pressing, have been investigated. Formation of n-type Bi{sub 2}(Te{sub 0.9}Se{sub 0.1}){sub 3} alloy powders was completed by mechanical alloying for 3 hours at ball-to-material ratio of 5:1, and processing time for Bi{sub 2}(Te{sub 1{minus}x}Se{sub x}){sub 3} formation increased with Bi{sub 2}Se{sub 3} content x. Figure-of-merit of Bi{sub 2}(Te{sub 0.9}Se{sub 0.1}) was markedly increased by hot pressing at temperatures above 450 C, and maximum value of 1.9 x 10{sup {minus}3}/K was obtained by hot pressing at 550 C. With addition of 0.015 wt% Bi as acceptor dopant, figure-of-merit of Bi{sub 2}(Te{sub 0.9}Se{sub 0.1}){sub 3} was hot pressed at 550 C, could be improved to 2.1 x 10{sup {minus}3}/K. When Bi{sub 2}(Te{sub 1{minus}x}Se{sub x}){sub 3} was hot pressed at 550 C, figure-of-merit increased from 1.14 x 10{sup {minus}3}/K to 1.92 x 10{sup {minus}3}/K with increasing Bi{sub 2}Se{sub 3} content x from 0.05 to 0.15, and then decreased to 1.30 x 10{sup {minus}3}/K for x = 0.25 composition.

  3. Grain and Grain-Boundary Critical Currents in Coated Conductors with Non-Correlating YBa<sub>2sub>Cu>3sub>O>7sub> and Substrate Grain-Boundary Networks

    SciTech Connect (OSTI)

    Palau, A. [ICMAB, Barcelona, Spain; Puig, T. [ICMAB, Barcelona, Spain; Obradors, X. [ICMAB, Barcelona, Spain; Feenstra, Roeland [ORNL; Gapud, Albert Agcaoili [ORNL; Specht, Eliot D [ORNL; Feldmann, D. M. [University of Wisconsin, Madison; Holesinger, T. G. [Los Alamos National Laboratory (LANL)

    2006-01-01T23:59:59.000Z

    The superconducting grain-boundary (GB) network of coated conductors (CCs) is usually assumed to be a replica of the substrate network. In this letter, we analyze IBAD and RABITS CCs, where such replica either do or do not exist. We have analyzed the effect of GB overgrowth on the critical currents by quantifying the average superconducting grain size and determining the intragrain and grain-boundary critical current densities, J{sub c}{sup G} and J{sub c}{sup GB}. We have employed a recently developed inductive methodology enabling the simultaneous determination of these three parameters. We show that the percolative J{sub c}{sup GB} may be reduced by 50% if the GB networks do not correlate, while J{sub c}{sup G} and the grain pinning properties appear unaffected.

  4. Synthesis and characterization of rare-earth doped SrBi{sub 2}Nb{sub 2}O{sub 9} phase in lithium borate based nanocrystallized glasses

    SciTech Connect (OSTI)

    Harihara Venkataraman, B. [Department of Materials Science and Technology, Nagaoka University of Technology, 1603-1 Kamitomioka-cho, Nagaoka 940-2188 (Japan); Fujiwara, Takumi [Department of Applied Physics, Graduate School of Engineering, Tohoku University, Sendai 980-8579 (Japan); Komatsu, Takayuki, E-mail: komatsu@mst.nagaokaut.ac.j [Department of Materials Science and Technology, Nagaoka University of Technology, 1603-1 Kamitomioka-cho, Nagaoka 940-2188 (Japan)

    2009-06-15T23:59:59.000Z

    Glass composites comprising of un-doped and samarium-doped SrBi{sub 2}Nb{sub 2}O{sub 9} nanocrystallites are fabricated in the glass system 16.66SrO-16.66[(1-x)Bi{sub 2}O{sub 3}-xSm{sub 2}O{sub 3}]-16.66Nb{sub 2}O{sub 5}-50Li{sub 2}B{sub 4}O{sub 7} (0<=x<=0.5, in mol%) via the melt quenching technique. The glassy nature of the as-quenched samples is established by differential thermal analyses. Transmission electron microscopic studies reveal the presence of about 15 nm sized spherical crystallites of the fluorite-like SrBi{sub 1.9}Sm{sub 0.1}Nb{sub 2}O{sub 9} phase in the samples heat treated at 530 deg. C. The formation of layered perovskite-type un-doped and samarium-doped SrBi{sub 2}Nb{sub 2}O{sub 9} nanocrystallites with an orthorhombic structure through the intermediate fluorite phase is confirmed by X-ray powder diffraction and micro-Raman spectroscopic studies. The influence of samarium doping on the lattice parameters, lattice distortions, and the Raman peak positions of SrBi{sub 2}Nb{sub 2}O{sub 9} perovskite phase is clarified. The dielectric constants of the perovskite SrBi{sub 2}Nb{sub 2}O{sub 9} and SrBi{sub 1.9}Sm{sub 0.1}Nb{sub 2}O{sub 9} nanocrystals are relatively larger than those of the corresponding fluorite-like phase and the precursor glass. - Graphical Abstract: This figure shows the XRD patterns at room temperature for the as-quenched and heat treated samples in Sm{sub 2}O{sub 3}-doped (x=0.1) glass. Based on these results, it is concluded that the formation of samarium-doped perovskite SBN phase takes place via an intermediate fluorite-like phase in the crystallization of this glass.

  5. Transport properties of partially-filled Ce{sub y}Co{sub 4}Sb{sub 12}

    SciTech Connect (OSTI)

    Uher, C.; Chen, B.; Hu, S.; Morelli, D.T.; Meisner, G.P.

    1997-07-01T23:59:59.000Z

    The authors have investigated the magnetic and transport properties of Ce{sub y}Co{sub 4}Sb{sub 12} filled skutterudites with the filling fraction y {le} 0.1. These compounds are n-type materials that develop a magnetic moment upon the presence of trivalent cerium. Cerium has a strong influence on all transport properties and even in small amounts it drastically reduces the lattice thermal conductivity. The resulting figures of merit are comparable to the values established previously for the p-type filled skutterudites.

  6. Conditions for uniform growth of GaAs/sub 1-//sub x-italic/P/sub x-italic/ superlattices

    SciTech Connect (OSTI)

    Blakeslee, A.E.; Kibbler, A.; Wanlass, M.W.; Biefeld, R.M.

    1986-08-01T23:59:59.000Z

    Nonplanar morphology and compositional inhomogeneity are observed in GaAs/sub 1-//sub x-italic/P/sub x-italic/ superlattices when the phosphorus content is substantially different in adjacent sublayers. The main characteristic feature of the distortion is a series of ribbonlike regions running through the superlattice which etch at a faster rate and contain more phosphorus than the surrounding material and are also the source of clusters of dislocations. Morphological stability and a general decrease in dislocation density can be effected by decreasing the interlayer strain, i.e., compositional difference, between the superlattice sublayers.

  7. Simple band model for La sub 1-x Sr sub x CoO sub 3 : Evidence from electron spectroscopy

    SciTech Connect (OSTI)

    Kemp, J.P.; Beal, D.J.; Cox, P.A. (Inorganic Chemistry Laboratory, Oxford (England))

    1990-05-01T23:59:59.000Z

    Valence band photoelectron spectra and high resolution electron energy loss spectra for La{sub 1-x}Sr{sub x}CoO{sub 3} (x {le} 0.5) have been measured. The general appearance and variation with photon energy of the former may be interpreted in terms of the density of states arising from a simple semiempirical tight binding band structure calculation, for reasonable values of Hamiltonian matrix elements. The latter show a highly damped loss feature below 1 eV which may be assigned to a plasma oscillation whose frequency is overestimated by the same calculations, indicating a considerable enhancement of effective mass through correlation.

  8. Irradiation-Free, Columnar Defects Comprised of Self-Assembled Nanodots and Nanorods Resulting in Strongly Enhanced Flux-Pinning in YBa<sub>2sub>Cu>3sub>0<sub>7-?sub> Films

    SciTech Connect (OSTI)

    Goyal, Amit [ORNL; Kang, Sukill [ORNL; Leonard, Keith J [ORNL; Martin, Patrick M [ORNL; Gapud, Albert Agcaoili [ORNL; Varela del Arco, Maria [ORNL; Paranthaman, Mariappan Parans [ORNL; Ijaduola, Anota O [ORNL; Specht, Eliot D [ORNL; Thompson, James R [ORNL; Christen, David K [ORNL; Pennycook, Stephen J [ORNL; List III, Frederick Alyious [ORNL

    2005-11-01T23:59:59.000Z

    The development of biaxially textured, second-generation, high-temperature superconducting (HTS) wires is expected to enable most large-scale applications of HTS materials, in particular electric-power applications. For many potential applications, high critical currents in applied magnetic fields are required. It is well known that columnar defects generated by irradiating high-temperature superconducting materials with heavy ions significantly enhance the in-field critical current density. Hence, for over a decade scientists world-wide have sought means to produce such columnar defects in HTS materials without the expense and complexity of ionizing radiation. Using a simple and practically scalable technique, we have succeeded in producing long, nearly continuous vortex pins along the c-axis in YBa{sub 2}Cu{sub 3}O{sub 7-{delta}} (YBCO), in the form of self-assembled stacks of BaZrO{sub 3} (BZO) nanodots and nanorods. The nanodots and nanorods have a diameter of {approx}2-3 nm and an areal density ('matching field') of 8-10 T for 2 vol.% incorporation of BaZrO{sub 3}. In addition, four misfit dislocations around each nanodot or nanorod are aligned and act as extended columnar defects. YBCO films with such defects exhibit significantly enhanced pinning with less sensitivity to magnetic fields H. In particular, at intermediate field values, the current density, J{sub c}, varies as J{sub c} {approx}H{sup -{alpha}}, with {alpha} {approx} 0.3 rather than the usual values 0.5-0.65. Similar results were also obtained for CaZrO{sub 3} (CZO) and YSZ incorporation in the form of nanodots and nanorods within YBCO, indicating the broad applicability of the developed process. The process could also be used to incorporate self-assembled nanodots and nanorods within matrices of other materials for different applications, such as magnetic materials.

  9. The synthesis and structural characterization of Na[sub 3]WO[sub 3]N

    SciTech Connect (OSTI)

    Elder, S.H. (Cornell Univ., Ithaca, NY (United States) Institut des MJateriaux de Nantes, Nantes (France)); DiSalvo, F.J. (Cornell Univ., Ithaca, NY (United States)); Parise, J.B. (State Univ. of New York at Stony Brook, Stony Brook, NY (United States)); Hriljac, J.A. (Brookhaven National Lab., Upton, NY (United States)); Richardson, J.W. Jr. (Argonne National Lab., IL (United States))

    1994-01-01T23:59:59.000Z

    The authors report the discovery of a new ternary oxynitride, Na[sub 3]WO[sub 3]N. Na[sub 3]WO[sub 3]N is synthesized by exposing a eutectic melt consisting of 1/2Na[sub 2]O:1Na[sub 2]WO[sub 4] to a flow of ammonia gas at 695[degrees]C. The compound crystallizes in the acentric space group Pmn2[sub 1] with a = 7.2481(3) [angstrom], b = 6.2728(3) [angstrom], and c = 56493(2) [angstrom]. The structure was determined from synchrotron X-ray powder diffraction data and refined using the Rietveld analysis on neutron powder diffraction data. It is isostructural to the low temperature form of Li[sub 3]PO[sub 4] which can be derived from an ordered wurtzite structure-type with all the atoms having tetrahedral coordination. Alternatively, the structure can be described as being [open quotes]salt-like[close quotes] consisting of isolated (WO[sub 3]N)[sup [minus]3] tetrahedral polyanions separated by Na[sup +].

  10. Array-type NH.sub.3 sensor

    SciTech Connect (OSTI)

    West, David Lawrence; Montgomery, Frederick Charles; Armstrong, Timothy R; Warmack, Robert J

    2013-12-31T23:59:59.000Z

    An array-type sensor that senses NH.sub.3 includes non-Nernstian sensing elements constructed from metal and/or metal-oxide electrodes on an O.sub.2 ion conducting substrate. In one example sensor, one electrode may be made of platinum, another electrode may be made of manganese (III) oxide (Mn.sub.2O.sub.3), and another electrode may be made of tungsten trioxide (WO.sub.3). Some sensing elements may further include an electrode made of La.sub.0.6Sr.sub.0.4Co.sub.0.2Fe.sub0.8O.sub.3 and another electrode made of LaCr.sub.0.95.Mg.sub.0.05O.sub.3.

  11. Search for compounds of the NaBaR(BO{sub 3}){sub 2} family (R = La, Nd, Gd, and Yb) and the new NaBaYb(BO{sub 3}){sub 2} orthoborate

    SciTech Connect (OSTI)

    Svetlyakova, T. N., E-mail: svetlyakovatn@gmail.com; Kokh, A. E.; Kononova, N. G. [Russian Academy of Sciences, Sobolev Institute of Geology and Mineralogy, Siberian Branch (Russian Federation)] [Russian Academy of Sciences, Sobolev Institute of Geology and Mineralogy, Siberian Branch (Russian Federation); Fedorov, P. P. [Russian Academy of Sciences, Prokhorov General Physics Institute (Russian Federation)] [Russian Academy of Sciences, Prokhorov General Physics Institute (Russian Federation); Rashchenko, S. V. [Russian Academy of Sciences, Sobolev Institute of Geology and Mineralogy, Siberian Branch (Russian Federation)] [Russian Academy of Sciences, Sobolev Institute of Geology and Mineralogy, Siberian Branch (Russian Federation); Maillard, A. [University of Metz and Supelec, Laboratoire Materiaux Optiques, Photonique et Systemes (France)] [University of Metz and Supelec, Laboratoire Materiaux Optiques, Photonique et Systemes (France)

    2013-01-15T23:59:59.000Z

    A search for compounds of the NaBaR(BO{sub 3}){sub 2} composition (where R = La{sup 3+}, Nd{sup 3+}, Gd{sup 3+}, or Yb{sup 3+}) is performed by solid state synthesis and spontaneous crystallization. A new compound, NaBaYb(BO{sub 3}){sub 2}, is found in this series. It crystallizes in space group R3{sup -} and belongs to the family of sublayer complex orthoborates with isolated BO{sub 3} groups NaBaR(BO{sub 3}){sub 2} (R = Y, Sc, and Yb). Theoretical X-ray powder diffraction patterns of NaBaY(BO{sub 3}){sub 2}, NaBaSc(BO{sub 3}){sub 2}, and NaBaYb(BO{sub 3}){sub 2} are calculated based on single-crystal data.

  12. Properties of chemical vapor deposited tungsten silicide films using reaction of WF/sub 6/ and Si/sub 2/H/sub 6/

    SciTech Connect (OSTI)

    Shioya, Y.; Ikegami, K.; Kobayashi, I.; Maeda, M.

    1987-05-01T23:59:59.000Z

    Tungsten silicide films were formed by the chemical vapor deposition method using the reaction WF/sub 6/ and Si/sub 2/H/sub 6/. The deposition rate, resistivity, composition, stress, crystal structure, and content of impurities were studied and compared with tungsten silicide films deposited by reaction of WF/sub 6/ and SiH/sub 4/. The tungsten silicide films made using Si/sub 2/H/sub 6/ have a higher deposition rate and higher Si concentration than those made by using SiH/sub 4/ at the same substrate temperature. For these reasons, the tungsten silicide films made by using Si/sub 2/H/sub 6/ were found to have a resistivity that is a little higher and, after annealing, a stress that is smaller than that made by SiH/sub 4/.

  13. Liquid-phase oxidation of anthracene by hydrogen peroxide in the presence of vanadium oxide bronzes Cu{sub x}V{sub 2}O{sub 5}

    SciTech Connect (OSTI)

    Men`shikov, S.Yu.; Vurasko, A.V.; Petrov, L.A.; Volkov, V.L.; Novoselova, A.A. [Inst. of Chemistry, Sverdlovsk (Russian Federation)

    1992-12-31T23:59:59.000Z

    Vanadium oxide bronzes of the general formula Cu{sub x}V{sub 2}O{sub 5}, where 0 sub 2}O{sub 2}. The anthracene conversion and the selectivity with respect to anthraquinone are maximum within the region of {Beta}- and {Xi}-phases respectively close to the compositions Cu{sub 0.6} V{sub 2}O{sub 5} and Cu{sub 0.95}V{sub 2}O{sub 5}. This is connected with change in the electronic structure of the catalyst, which is a function of the copper content. 11 refs., 1 tab.

  14. High pressure synthesis and crystal structure of a ternary superconductor Ca{sub 2}Al{sub 3}Si{sub 4} containing layer structured calcium sub-network isomorphous with black phosphorus

    SciTech Connect (OSTI)

    Tanaka, Masashi; Zhang, Shuai; Tanaka, Yuki; Inumaru, Kei [Department of Applied Chemistry, Graduate School of Engineering, Hiroshima University, Higashi-Hiroshima 739-8527 (Japan)] [Department of Applied Chemistry, Graduate School of Engineering, Hiroshima University, Higashi-Hiroshima 739-8527 (Japan); Yamanaka, Shoji, E-mail: syamana@hiroshima-u.ac.jp [Department of Applied Chemistry, Graduate School of Engineering, Hiroshima University, Higashi-Hiroshima 739-8527 (Japan)] [Department of Applied Chemistry, Graduate School of Engineering, Hiroshima University, Higashi-Hiroshima 739-8527 (Japan)

    2013-02-15T23:59:59.000Z

    The Zintl compound CaAl{sub 2}Si{sub 2} is peritectically decomposed to a mixture of Ca{sub 2}Al{sub 3}Si{sub 4} and aluminum metal at temperatures above 600 Degree-Sign C under a pressure of 5 GPa. The new ternary compound Ca{sub 2}Al{sub 3}Sl{sub 4} crystalizes with the space group Cmc2{sub 1} and the lattice parameters a=5.8846(8), b=14.973(1), and c=7.7966(5) A. The structure is composed of aluminum silicide framework [Al{sub 3}Si{sub 4}] and layer structured [Ca{sub 2}] network interpenetrating with each other. The electron probe microanalysis (EPMA) shows the formation of solid solutions Ca{sub 2}Al{sub 3-x}Si{sub 4+x} (x<0.6). The layer structured [Ca{sub 2}] sub-network is isomorphous with black phosphorus. The new ternary compound shows superconductivity with a transition temperature (T{sub c}) of 6.4 K. The band structure calculation suggests that the superconductivity should occur through the conduction bands mainly composed of 3p orbitals of the aluminum silicide framework. - Graphical abstract: A new ternary superconductor Ca{sub 2}Al{sub 3}Si{sub 4} has been prepared under high pressure and high temperature conditions, which includes layer structured calcium sub-network isomorphous with black phosphorus. Highlights: Black-Right-Pointing-Pointer A typical Zintl compound CaAl{sub 2}Si{sub 2} melts congruently at ambient pressure. Black-Right-Pointing-Pointer Under high pressure CaAl{sub 2}Si{sub 2} decomposes to Ca{sub 2}Al{sub 3}Si{sub 4} and Al at {approx}600 Degree-Sign C. Black-Right-Pointing-Pointer Ca{sub 2}Al{sub 3}Si{sub 4} contains Ca sub-network isomorphous with black phosphorus. Black-Right-Pointing-Pointer Ca{sub 2}Al{sub 3}Si{sub 4} shows superconductivity with a transition temperature of 6.4 K.

  15. In-situ high resolution transmission electron microscopy observation of silicon nanocrystal nucleation in a SiO{sub 2} bilayered matrix

    SciTech Connect (OSTI)

    Yang, T. C.-J., E-mail: terry.yang@unsw.edu.au; Wu, L.; Lin, Z.; Jia, X.; Puthen-Veettil, B.; Zhang, T.; Conibeer, G.; Perez-Wurfl, I. [School of Photovoltaic and Renewable Engineering, University of New South Wales, Sydney, New South Wales 2052 (Australia); Kauffmann, Y.; Rothschild, A. [Department of Materials Science and Engineering, Technion Israel Institute of Technology, Technion City, Haifa 32000 (Israel)

    2014-08-04T23:59:59.000Z

    Solid-state nucleation of Si nanocrystals in a SiO{sub 2} bilayered matrix was observed at temperatures as low as 450?C. This was achieved by aberration corrected high-resolution transmission electron microscopy (HRTEM) with real-time in-situ heating up to 600?C. This technique is a valuable characterization tool especially with the recent interest in Si nanostructures for light emitting devices, non-volatile memories, and third-generation photovoltaics which all typically require a heating step in their fabrication. The control of size, shape, and distribution of the Si nanocrystals are critical for these applications. This experimental study involves in-situ observation of the nucleation of Si nanocrystals in a SiO{sub 2} bilayered matrix fabricated through radio frequency co-sputtering. The results show that the shapes of Si nanocrystals in amorphous SiO{sub 2} bilayered matrices are irregular and not spherical, in contrast to many claims in the literature. Furthermore, the Si nanocrystals are well confined within their layers by the amorphous SiO{sub 2}. This study demonstrates the potential of in-situ HRTEM as a tool to observe the real time nucleation of Si nanocrystals in a SiO{sub 2} bilayered matrix. Furthermore, ideas for improvements on this in-situ heating HRTEM technique are discussed.

  16. The synthesis and crystal structures of the first rare-earth alkaline-earth selenite chlorides MNd{sub 10}(SeO{sub 3}){sub 12}Cl{sub 8} (M=Ca and Sr)

    SciTech Connect (OSTI)

    Berdonosov, P.S. [Department of Chemistry, Moscow State University, Leninskie Gory, Moscow 119992 (Russian Federation)], E-mail: psberd@inorg.chem.msu.ru; Olenev, A.V.; Dolgikh, V.A. [Department of Chemistry, Moscow State University, Leninskie Gory, Moscow 119992 (Russian Federation); Lightfoot, P. [EaStChem, School of Chemistry, St. Andrews University, St. Andrews, KY16 9ST (United Kingdom)

    2007-11-15T23:59:59.000Z

    Two new alkaline-earth Nd selenite chlorides MNd{sub 10}(SeO{sub 3}){sub 12}Cl{sub 8} (M=Ca, Sr) were obtained using crystal growth from alkaline-earth chloride melts in quartz tubes. These new compounds crystallize in the orthorhombic system in space group C cca (no. 68). The compounds were studied by energy dispersive X-ray spectroscopy (EDX) and X-ray diffraction. It was shown that both compounds adopt the same structure type, constructed by complex [M{sub 11}(SeO{sub 3}){sub 12}]{sup 8+} slabs separated by chloride anion layers perpendicular to the longest cell parameter. The SeO{sub 3} groups show a pyramidal shape and may be described as SeO{sub 3}E tetrahedra. Such SeO{sub 3} groups decorate the Nd-O skeletons forming the [M{sub 11}(SeO{sub 3}){sub 12}]{sup 8+} slabs. - Graphical abstract: Two new alkaline-earth Nd selenite chlorides MNd{sub 10}(SeO{sub 3}){sub 12}Cl{sub 8} (M=Ca, Sr) were synthesized. These structures are constructed by [M{sub 11}(SeO{sub 3}){sub 12}]{sup 8+} slabs separated by chloride anion layers.

  17. Angular dependence of metamagnetic transitions in HoNi{sub 2}B{sub 2}C

    SciTech Connect (OSTI)

    Canfield, P.C.; Budko, S.L.; Cho, B.K. [Ames Laboratory and Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011 (United States)] [Ames Laboratory and Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011 (United States); Lacerda, A. [National High Magnetic Field Laboratory--Pulse Facility, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)] [National High Magnetic Field Laboratory--Pulse Facility, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Farrell, D.; Johnston-Halperin, E. [Department of Physics, Case Western Reserve University, Cleveland, Ohio 44106 (United States)] [Department of Physics, Case Western Reserve University, Cleveland, Ohio 44106 (United States); Kalatsky, V.A.; Pokrovsky, V.L. [Department of Physics, Texas AM University, College Station, Texas 77843 (United States)] [Department of Physics, Texas AM University, College Station, Texas 77843 (United States)

    1997-01-01T23:59:59.000Z

    Detailed measurements of M(2 K, H, {theta}) of HoNi{sub 2}B{sub 2}C, where {theta} is the angle that the applied field H makes with the [110] axis while remaining perpendicular to the crystallographic c axis, reveal three metamagnetic transitions with angular dependences H{sub c1}=(4.1{plus_minus}0.1 kG)/cos({theta}), H{sub c2}=8.4{plus_minus}0.2 kG/cos({phi}), and H{sub c3}=(6.6{plus_minus}0.2 kG)/sin({phi}), where {phi}={theta}{minus}45 is the angle from the [100] axis. The high-field saturated moment, M{sub sat}{approx}10{mu}{sub B}cos{theta} is consistent with the local moments being confined to the [110] direction. The locally saturated moments for fields between H{sub ci} (i=1,2,3) also manifest angular dependences that are consistent with combinations of local moments along [110] axes. Analysis of these data lead us to infer that the net distribution of moments is ({up_arrow}{down_arrow}{up_arrow}{down_arrow}{up_arrow}{down_arrow}) for H{lt}H{sub c1}, ({up_arrow}{up_arrow}{down_arrow}{up_arrow}{up_arrow}{down_arrow}) for H{sub c1}{lt}H{lt}H{sub c2}, ({up_arrow}{up_arrow}{r_arrow}{up_arrow}{up_arrow}{r_arrow}) for H{sub c2}{lt}H{lt}H{sub c3}, and ({up_arrow}{up_arrow}{up_arrow}{up_arrow}{up_arrow}{up_arrow}) for H{gt}H{sub c3}. {copyright} {ital 1997} {ital The American Physical Society}

  18. Low NO.sub.x multistage combustor

    DOE Patents [OSTI]

    Becker, Frederick E. (Reading, MA); Breault, Ronald W. (Newington, NH); Litka, Anthony F. (Hanover, MA); McClaine, Andrew W. (Lexington, MA); Shukla, Kailash (Boxborough, MA)

    2000-01-01T23:59:59.000Z

    A high efficiency, Vortex Inertial Staged Air (VIStA) combustor provides ultra-low NO.sub.X production of about 20 ppmvd or less with CO emissions of less than 50 ppmvd, both at 3% O.sub.2. Prompt NO.sub.X production is reduced by partially reforming the fuel in a first combustion stage to CO and H.sub.2. This is achieved in the first stage by operating with a fuel rich mixture, and by recirculating partially oxidized combustion products, with control over stoichiometry, recirculation rate and residence time. Thermal NO.sub.X production is reduced in the first stage by reducing the occurrence of high temperature combustion gas regions. This is achieved by providing the first stage burner with a thoroughly pre-mixed fuel/oxidant composition, and by recirculating part of the combustion products to further mix the gases and provide a more uniform temperature in the first stage. In a second stage combustor thermal NO.sub.X production is controlled by inducing a large flow of flue gas recirculation in the second stage combustion zone to minimize the ultimate temperature of the flame. One or both of the first and second stage burners can be cooled to further reduce the combustion temperature and to improve the recirculation efficiency. Both of these factors tend to reduce production of NO.sub.X.

  19. Crystal structure and chemical bonding of novel Li-containing polar intermetallic compound La{sub 11}Li{sub 12}Ge{sub 16}

    SciTech Connect (OSTI)

    Jung, Yaho; Nam, Gnu; Jeon, Jieun; Kim, Youngjo [Department of Chemistry, Chungbuk National University, Cheongju, 410 Seungbong-ro Heungduk-gu Chungbuk 361-763 (Korea, Republic of)] [Department of Chemistry, Chungbuk National University, Cheongju, 410 Seungbong-ro Heungduk-gu Chungbuk 361-763 (Korea, Republic of); You, Tae-Soo, E-mail: tsyou@chungbuk.ac.kr [Department of Chemistry, Chungbuk National University, Cheongju, 410 Seungbong-ro Heungduk-gu Chungbuk 361-763 (Korea, Republic of)] [Department of Chemistry, Chungbuk National University, Cheongju, 410 Seungbong-ro Heungduk-gu Chungbuk 361-763 (Korea, Republic of)

    2012-12-15T23:59:59.000Z

    A novel Li-containing polar intermetallic compound La{sub 11}Li{sub 12}Ge{sub 16} has been synthesized using the high-temperature reaction method and characterized by both powder and single-crystal X-ray diffractions. The title compound crystallized in the orthorhombic crystal system (space group Immm, Z=2, Pearson symbol oI78) with fifteen crystallographically unique atomic positions in the asymmetric unit, and the lattice parameters are refined as a=4.5244(4) A, b=6.9932(6) A, and c=53.043(5) A. The complex crystal structure of the title compound can be described as a 2:1 intergrowth of two closely related compounds: La{sub 2}Li{sub 2}Ge{sub 3} (Ce{sub 2}Li{sub 2}Ge{sub 3}-type) and La{sub 3}Li{sub 4}Ge{sub 4} (Zr{sub 3}Cu{sub 4}Si{sub 4}-type) acting like 'building-blocks' along the c-axis. Six La sites are categorized into three distinct types based on the local coordination environment showing the coordination numbers of 12-14. Three unique Li sites are placed in the centers of local tetrahedra formed by four Ge atoms which eventually construct Ge{sub 2} dimers or 1-dimensional cis-/trans-Ge chains. Theoretical investigations using the tight-binding linear muffin-tin orbital (LMTO) method provide rationales for an improved structural stability and for unique local coordination geometries established by anionic elements including [LiGe{sub 4}] tetrahedra, cis-/trans-Ge chain and Ge{sub 2} dimers. - Graphical abstract: Reported is a novel ternary Li-containing polar intermetallic compound La{sub 11}Li{sub 12}Ge{sub 16}. The complex crystal structure can be viewed as a simple combination of two closely related known compounds acting as 'building-blocks', La{sub 2}Li{sub 2}G{sub 3} and La{sub 3}Li{sub 4}Ge{sub 4}, in a 2:1 stoichiometric ratio. Highlights: Black-Right-Pointing-Pointer A novel Li-containing polar intermetallic compound La{sub 11}Li{sub 12}Ge{sub 16} was synthesized. Black-Right-Pointing-Pointer The complex crystal structure was easily explained as a combination of two known compounds. Black-Right-Pointing-Pointer Theoretical calculations indicated that the Fermi level was located near the pseudogap.

  20. Matrix isolation and computational study of isodifluorodibromomethane (F{sub 2}CBr-Br): A route to Br{sub 2} formation in CF{sub 2}Br{sub 2} photolysis

    SciTech Connect (OSTI)

    George, Lisa; Kalume, Aimable; Reid, Scott A. [Department of Chemistry, Marquette University, Milwaukee, Wisconsin 53201-1881 (United States); El-Khoury, Patrick Z.; Tarnovsky, Alexander [Department of Chemistry and Center for Photochemical Sciences, Bowling Green State University, Bowling Green, Ohio 43403 (United States)

    2010-02-28T23:59:59.000Z

    The photolysis products of dibromodifluoromethane (CF{sub 2}Br{sub 2}) were characterized by matrix isolation infrared and UV/Visible spectroscopy, supported by ab initio calculations. Photolysis at wavelengths of 240 and 266 nm of CF{sub 2}Br{sub 2}:Ar samples ({approx}1:5000) held at {approx}5 K yielded iso-CF{sub 2}Br{sub 2} (F{sub 2}CBrBr), a weakly bound isomer of CF{sub 2}Br{sub 2}, which is characterized here for the first time. The observed infrared and UV/Visible absorptions of iso-CF{sub 2}Br{sub 2} are in excellent agreement with computational predictions at the B3LYP/aug-cc-pVTZ level. Single point energy calculations at the CCSD(T)/aug-cc-pVDZ level on the B3LYP optimized geometries suggest that the isoform is a minimum on the CF{sub 2}Br{sub 2} potential energy surface, lying some 55 kcal/mol above the CF{sub 2}Br{sub 2} ground state. The energies of various stationary points on the CF{sub 2}Br{sub 2} potential energy surface were characterized computationally; taken with our experimental results, these show that iso-CF{sub 2}Br{sub 2} is an intermediate in the Br+CF{sub 2}Br{yields}CF{sub 2}+Br{sub 2} reaction. The photochemistry of the isoform was also investigated; excitation into the intense 359 nm absorption band resulted in isomerization to CF{sub 2}Br{sub 2}. Our results are discussed in view of the rich literature on the gas-phase photochemistry of CF{sub 2}Br{sub 2}, particularly with respect to the existence of a roaming atom pathway leading to molecular products.

  1. Approach to thermal properties and electronic polarizability from average single bond strength in ZnO---Bi{sub 2}O{sub 3}---B{sub 2}O{sub 3} glasses

    SciTech Connect (OSTI)

    Inoue, Taisuke; Honma, Tsuyoshi [Department of Materials Science and Technology, Nagaoka University of Technology, 1603-1 Kamitomioka-cho, Nagaoka 940-2188 (Japan); Dimitrov, Vesselin [Department of Silicate Technology, University of Chemical Technology and Metallurgy, 8, Kl. Ohridski Blvd., Sofia 1756 (Bulgaria); Komatsu, Takayuki, E-mail: komatsu@mst.nagaokaut.ac.j [Department of Materials Science and Technology, Nagaoka University of Technology, 1603-1 Kamitomioka-cho, Nagaoka 940-2188 (Japan)

    2010-12-15T23:59:59.000Z

    The glass transition temperature (T{sub g}), density, refractive index, Raman scattering spectra, and X-ray photoelectron spectra (XPS) for xZnO-yBi{sub 2}O{sub 3}-zB{sub 2}O{sub 3} glasses (x=10-65, y=10-50, z=25-60 mol%) are measured to clarify the bonding and structure features of the glasses with large amounts of ZnO. The average electronic polarizability of oxide ions ({alpha}{sub O2-}) and optical basicity ({Lambda}) of the glasses estimated using Lorentz-Lorenz equation increase with increasing ZnO or Bi{sub 2}O{sub 3} content, giving the values of {alpha}{sub O2-}=1.963 A{sup 3} and {Lambda}=0.819 for 60ZnO-10Bi{sub 2}O{sub 3}-30B{sub 2}O{sub 3} glass. The formation of B---O---Bi and B---O---Zn bridging bonds in the glass structure is suggested from Raman and XPS spectra. The average single bond strength (B{sub M---O}) proposed by Dimitrov and Komatsu is applied to the glasses and is calculated using single bond strengths of 150.6 kJ/mol for Zn---O bonds in ZnO{sub 4} groups, 102.5 kJ/mol for Bi---O bonds in BiO{sub 6} groups, 498 kJ/mol for B---O bonds in BO{sub 3} groups, and 373 kJ/mol for B---O bonds in BO{sub 4} groups. Good correlations are observed between T{sub g} and B{sub M---O}, {Lambda} and B{sub M---O}, and T{sub g} and {Lambda}, proposing that the average single bond strength is a good parameter for understanding thermal and optical properties of ZnO---Bi{sub 2}O{sub 3}---B{sub 2}O{sub 3} glasses. -- Graphical abstract: This figure shows the correlation between optical basicity {Lambda} and average single bond strength B{sub M---O} in ZnO---Bi{sub 2}O{sub 3}---B{sub 2}O{sub 3} glasses. A good correlation is observed, proposing that the average single bond strength is a good parameter for understanding optical properties of ZnO---Bi{sub 2}O{sub 3}---B{sub 2}O{sub 3} glasses. Display Omitted

  2. Superconducting Tl/sub 2/Ba/sub 2/CuO/sub 6/: the orthorhombic form

    SciTech Connect (OSTI)

    Parise, J.B.; Gopalakrishnan, J.; Subramanian, M.A.; Sleight, A.W.

    1988-10-01T23:59:59.000Z

    The structure of an orthorhombic variant of Tl/sub 2/Ba/sub 2/CuO/sub 6/ (Z = 4), with a superconducting onset at 90K, has been studied using neutron powder diffractometry at 12 K (a = 5.4834(3), b = 5.4586(3), c = 23.198(1) /Angstrom/), 60 K (a = 5.4834(3), b = 5.4585(3), c = 23.199(1) /Angstrom/), and 293 K (a = 5.4967(3), b = 5.4651(3), c = 23.246(1) /Angstrom/). The distortion from I4/mmm symmetry, reported in single-crystal X-ray investigations, to Abma is manifested in the Tl-O layer. At the temperatures studied, the coordination of Tl to oxygen is (2 + 1 + 2) square pyramidal rather than octahedral. At lower temperatures, distortion decreases but does not disappear. Despite the orthorhombic symmetry the CuO/sub 2/-layers remain flat.

  3. Local structure of Cu{sub x}Zn{sub 2?x}TiO{sub 4} inverse spinel

    SciTech Connect (OSTI)

    Ruiz-Fuertes, J., E-mail: ruiz-fuertes@kristall.uni-frankfurt.de; Bernert, T.; He, M.; Winkler, B. [Geowissenschaften, Goethe-Universitt, Altenhferallee 1, 60438 Frankfurt am Main (Germany); Vinograd, V. L. [Forschungszentrum Jlich GmbH, 52425 Jlich (Germany); Milman, V. [Dassault Systmes BIOVIA, 334 Science Park, Cambridge CB4 0WN (United Kingdom)

    2014-08-18T23:59:59.000Z

    Structural and vibrational changes due to the incorporation of Cu in the Cu{sub x}Zn{sub 2?x}TiO{sub 4} inverse spinel solid solution have been investigated by X-ray diffraction, Raman spectroscopy, and ab initio calculations. Both X-ray diffraction and Raman spectroscopy show that the structure remains cubic while the unit-cell volume decreases on Cu{sup 2+} incorporation. The compositional dependencies of the Raman frequencies and linewidths indicate the incorporation of Cu{sup 2+} into tetrahedral sites. The A{sub 1g} tetrahedral mode frequency becomes independent on composition for x?>?0.6. This is attributed to the limited incorporation of Cu{sup 2+} in the tetrahedral sites at Cu-rich compositions. Ab initio calculations with quasi-random structures reveal only a slight energetic preference of Cu{sup 2+} for octahedral over tetrahedral sites.

  4. Structural characterization of the gallosilicate TsG-1, K{sub 10}Ga{sub 10}Si{sub 22}O{sub 64}{center_dot}5H{sub 2}O, with the CGS framework topology

    SciTech Connect (OSTI)

    Lee, Y.; Kim, S.J.; Parise, J.B. [State Univ. of New York, Stony Brook, NY (United States)] [State Univ. of New York, Stony Brook, NY (United States); Kim, S.J. [Brookhaven National Lab., Upton, NY (United States). National Synchrotron Light Source] [Brookhaven National Lab., Upton, NY (United States). National Synchrotron Light Source

    1999-04-01T23:59:59.000Z

    A novel gallosilicate framework was reported by Krutskaya et al. while studying the phase diagrams of the K{sub 2}O-Ga{sub 2}O{sub 3}-SiO{sub 2}-H{sub 2}O system at 200 C. This material apparently had no aluminosilicate analogue and was named TsG-1. Although the cell parameters and the water sorption properties of this material were described, the structure of TsG-1 was not reported. The authors report here the structure of microporous TsG-1.

  5. Effect of a high electric field on the conductivity of MnGa{sub 2}S{sub 4}, MnIn{sub 2}S{sub 4}, and MnGaInS{sub 4} single crystals

    SciTech Connect (OSTI)

    Niftiev, N. N. [Azerbaijan State Pedagogical University (Azerbaijan); Tagiev, O. B. [National Academy of Sciences of Azerbaijan, Institute of Physics (Azerbaijan)

    2009-09-15T23:59:59.000Z

    The results of studying the effect of a high electric field on the conductivity of MnGa{sub 2}S{sub 4}, MnIn{sub 2}S{sub 4}, and MnGaInS{sub 4} single crystals are reported. The activation energy is determined in high and low electric fields. It is established that the decrease in the activation energy with increasing the external voltage is associated with decreasing the depth of the potential well, in which the electron is located.

  6. Ni{sub 3}Al aluminide alloys

    SciTech Connect (OSTI)

    Liu, C.T.

    1993-10-01T23:59:59.000Z

    This paper provides a brief review of the recent progress in research and development of Ni{sub 3}Al and its alloys. Emphasis has been placed on understanding low ductility and brittle fracture of Ni{sub 3}Al alloys at ambient and elevated temperatures. Recent studies have resulted in identifying both intrinsic and extrinsic factors governing the fracture behavior of Ni{sub 3}Al alloys. Parallel efforts on alloy design using physical metallurgy principles have led to properties for structural use. Industrial interest in these alloys is high, and examples of industrial involvement in processing and utilization of these alloys are briefly mentioned.