National Library of Energy BETA

Sample records for volatile sub stances

  1. 10/2/2014 SubStance Advertising Information http://uwpress.wisc.edu/journals/journals/sub_ads.html 1/2

    E-Print Network [OSTI]

    Sprott, Julien Clinton

    10/2/2014 SubStance Advertising Information http://uwpress.wisc.edu/journals/journals/sub_ads of this page) Print Ad Rates Cost Width Height Full page (B&W) $510 43/4" 73/4" Half page (B&W) $410 43/4" 33/4" Online Ad Rates Cost Width Height Leaderboard $450 728px 90px Skyscraper $375 160px 600px

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

    SciTech Connect (OSTI)

    Wei, Yuezhou; Liu, Ruiqin; Wu, Yan; Zu, Jianhua; Zhao, Long; Mimura, Hitoshi; Shi, Weiqun; Chai, Zhifang; Yang, Jinling; Ding, Youqian

    2013-07-01

    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)

  3. Master Thesis Validation of Interpersonal Stances

    E-Print Network [OSTI]

    Vellekoop, Michel

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

  4. Ultra High Frequency Volatility Estimation with Dependent Microstructure Noise

    E-Print Network [OSTI]

    Ultra High Frequency Volatility Estimation with Dependent Microstructure Noise Yacine Aďt sampled at frequencies high enough for that noise to be a dominant consideration. We show that combining; Serial dependence; High frequency data; Realized volatility; Sub- sampling; Two Scales Realized

  5. John Tooby & Leda Cosmides6 SubStance # 94/95, 2001

    E-Print Network [OSTI]

    Cosmides, Leda

    selection, which drives the incorporation of adaptively functional features into a species' design over evolutionary time (Dawkins, 1986). Organisms are full of exquisitely organized functional machinery organization discovered to be part of the design of a species must have been built by natural selection. If not

  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.

    1993-04-30

    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.

    2001-01-01

    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. Volatiles in protoplanetary disks

    E-Print Network [OSTI]

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

    2014-01-01

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

  9. Measurement of plutonium and americium volatilities under thermal process conditions. Final report

    SciTech Connect (OSTI)

    Krikorian, O.H.; Condit, R.H.; Fontes, A.S. Jr.; Fleming, D.L.; Magana, J.W.; Morris, W.F.; Adamson, M.G.

    1993-04-28

    We have used the transpiration method to measure volatilities of Pu and Am from PuO{sub 2}(s) and PuO{sub 2}/2% AmO{sub 2}(s) in the presence of steam and oxygen at temperatures of 1230--1430 K. We find the volatile species to be PuO{sub 2}(OH){sub 2}(g) and AmO{sub 2}(OH){sub 2}(g) at vapor pressures on the order of 10{sup {minus}10} atm and 10 {sup {minus}12} atm respectively under measurement conditions. For the Pu volatilization reaction, PuO{sub 2}(s) + 1/2 0{sub 2}(9) + H{sub 2}0(g) = PuO{sub 2}(OH){sub 2}(g), we obtain a free energy of reaction of {Delta}G{sup O}{sub T} = 231.3--0.0109 T in kj/mol, and for the Am volatilization reaction, AmO{sub 2}(s.s. in PuO{sub 2}) + 1/2 0{sub 2}(9) + H{sub 2}0(g) = AmO{sub 2}(OH){sub 2}(g), we obtain AG{sup O}{sub T} = 223.9--0.0109 T in kj/mol. We apply these results to the Rocky Flats Plant Fluidized Bed Incinerator to assess the amount of volatile Pu and Am produced in the secondary combustor chamber. Taking operating conditions of 550C combustor temperature, 40 kmols/h of total gas flow at 1 atm pressure, 0.1 atm 0{sub 2}(9), 0.05 atm H{sub 2}0(g), PuO{sub 2} (s) containing 200 ppm AmO{sub 2} in the bed, and 6000 h of operating time per year, gives volatilization rates of 7 {times} 10 {sup {minus}6}g Pu and 4 {times} 10 {sup {minus}9}g Am/y.

  10. Gasoline volatility: Environmental interactions with blending and processing

    SciTech Connect (OSTI)

    Unzelman, G.H. [ed.

    1996-05-01

    Gasoline volatility has long been an economic consideration for petroleum refiners. Although front-end volatility and Rvp (Reid vapor pressure) are primary factors, volatility can impact any part of the distillation range. Specifications, whether in-house, exchange or pipeline, require flexibility to optimize the bottom line with respect to marketed composition. Utilizing lower-value butanes, within Rvp and ASTM distillation limits, to maximize gasoline volume has been traditional. Also, optimizing the T{sub 90} (ASTM distillation temperature at 90% distilled), raises the end point and has been used to extend the gasoline barrel. In most refining situations, controlling back-end gasoline volatility is a function of gasoline vs. distillate volume, the latter generally the lower-value product. Recently, the concept of gasoline reformulation collide with the less complex approach of simply reducing vapor pressure to improve air quality. Reducing Rvp of gasoline shifts front-end composition, while reformulation, especially under future Complex Model rules, shifts volatility and composition over the entire boiling range. While low Rvp vs. RFG is a recent issue, gasoline volatility has always been an economic factor in petroleum refining and a performance factor for the auto maker.

  11. Metal price volatility : a study of informative metrics and the volatility mitigating effects of recycling

    E-Print Network [OSTI]

    Fleming, Nathan Richard

    2011-01-01

    Metal price volatility is undesirable for firms that use metals as raw materials, because price volatility can translate into volatility of material costs. Volatile material costs and can erode the profitability of the ...

  12. Realized Stock Volatility 2.1 Introduction

    E-Print Network [OSTI]

    Niebur, Ernst

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

  13. VOLATILITY TIME AND PROPERTIES OF OPTION PRICES

    E-Print Network [OSTI]

    Janson, Svante

    VOLATILITY TIME AND PROPERTIES OF OPTION PRICES volatility time, to show convexity of option prices in the underlying asset if the contract function is convex as well as continuity and monotonicity of the option price in the volatility

  14. Combustion of volatile matter during the initial stages of coal combustion

    SciTech Connect (OSTI)

    Marlow, D.; Niksa, S.; Kruger, C.H.

    1990-08-01

    Both the secondary pyrolysis and combustion of the volatiles from a bituminous coal will be studied. Devolatilization and secondary pyrolysis experiments will be conducted in a novel flow reactor in which secondary pyrolysis of the volatiles occurs after devolatilization is complete. This allows unambiguous measurements of the yields from both processes. Measurements will be made for reactor temperatures from 1500 to 1700 K, and a nominal residence time of 200 msec. These conditions are typical of coal combustion. Yields of tar, soot, H{sub 2}, CO, CH{sub 4}, and C{sub 2} and C{sub 3} hydrocarbons will be determined as a function of reactor temperature. The yields will be reported as a function of the temperature of the reactor. The instrumentation for temperature measurements will be developed during future studies. Combustion studies will be conducted in a constant volume bomb, which will be designed and constructed for this study. Tar and soot will be removed before introducing the volatiles to the bomb, so that only the combustion of the light gas volatiles will be considered. The burning velocities of light gas volatiles will be determined both as functions of mixture stoichiometry and the temperature at which the volatiles are pyrolysed. 90 refs., 70 figs., 13 tabs.

  15. Investigation on coal pyrolysis in CO{sub 2} atmosphere

    SciTech Connect (OSTI)

    Lunbo Duan; Changsui Zhao; Wu Zhou; Chengrui Qu; Xiaoping Chen [Institute for Thermal Power Engineering of Southeast University, Nanjing (China)

    2009-07-15

    Considerable studies have been reported on the coal pyrolysis process and the formation of SO{sub 2} and NOx processors such as H{sub 2}S, COS, SO{sub 2}, HCN, and NH{sub 3} in inert atmospheres. Similar studies in CO{sub 2} atmosphere also need to be accomplished for better understanding of the combustion characteristics and the SO{sub 2}/NOx formation mechanism of oxy-fuel combustion, which is one of the most important technologies for CO{sub 2} capture. In this study, thermogravimetry coupled with Fourier Transform Infrared (TG-FTIR) analysis was employed to measure the volatile yield and gas evolution features during coal pyrolysis process in CO{sub 2} atmosphere. Results show that replacing N{sub 2} with CO{sub 2} does not influence the starting temperature of volatile release but seems to enhance the volatile releasing rate even at 480{sup o}C. At about 760{sup o}C, CO{sub 2} prevents the calcite from decomposing. In CO{sub 2} atmosphere, the volatile yield increases as the temperature increases and decreases as the heating rate increases. COS is monitored during coal pyrolysis in CO{sub 2} atmosphere while there are only H{sub 2}S and SO{sub 2} formed in N{sub 2} atmosphere. The COS is most likely formed by the reaction between CO{sub 2} and H{sub 2}S. No NH{sub 3} was monitored in this study. In CO{sub 2} atmosphere, the gasification of char elevates the conversion of char-N to HCN. The HCN yield increases as the temperature increases and decreases as the heating rate increases. 20 refs., 13 figs., 3 tabs.

  16. Volatility in natural gas and oil markets

    E-Print Network [OSTI]

    Pindyck, Robert S.

    2003-01-01

    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 ...

  17. Target Volatility Option Pricing Giuseppe Di Graziano

    E-Print Network [OSTI]

    Macrina, Andrea

    for the pricing of Target Volatility Options (TVOs), a recent market innovation in the eld of volatility are lower than the target volatility, the pay-o of the former is higher than the pay-o of the corresponding experi- enced a steep increase, with a signicant impact on option (long vega) costs. The generalized

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

    SciTech Connect (OSTI)

    Vasala, S.; Yamauchi, H.; Karppinen, M.

    2011-05-15

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

  19. FORMATION CONDITIONS OF ICY MATERIALS IN COMET C/2004 Q2 (MACHHOLZ). I. MIXING RATIOS OF ORGANIC VOLATILES

    SciTech Connect (OSTI)

    Kobayashi, Hitomi; Kawakita, Hideyo, E-mail: h_kobayashi@cc.kyoto-su.ac.j [Department of Physics, Faculty of Science, Kyoto Sangyo University, Motoyama, Kamigamo, Kita-ku, Kyoto 603-8555 (Japan)

    2009-09-20

    We observed comet C/2004 Q2 (Machholz) with the Keck II telescope in late 2005 January and we obtained the spectra of C/2004 Q2 including many emission lines of volatile species such as H{sub 2}O, HCN, C{sub 2}H{sub 2}, NH{sub 3}, CH{sub 4}, C{sub 2}H{sub 6}, CH{sub 3}OH, and H{sub 2}CO with high-signal-to-noise ratios. Based on our observations, we determined the mixing ratios of the molecules relative to H{sub 2}O in C/2004 Q2. Since C/2004 Q2 is one of Oort Cloud comets, it is interesting to compare our results with other Oort Cloud comets. The mixing ratios of C{sub 2}H{sub 2}/H{sub 2}O and C{sub 2}H{sub 6}/H{sub 2}O in C/2004 Q2 are lower than typical Oort Cloud comets. Especially, C{sub 2}H{sub 2}/H{sub 2}O ratio in C/2004 Q2 is as lower as Jupiter Family comets. However, mixing ratios of other molecules in C/2004 Q2 are similar to typical Oort Cloud comets. C/2004 Q2 might be the intermediate type between Oort Cloud and Jupiter Family comets. To investigate the formation conditions of such intermediate type comet, we focused on the (C{sub 2}H{sub 2}+C{sub 2}H{sub 6})/H{sub 2}O ratios and C{sub 2}H{sub 6}/(C{sub 2}H{sub 6}+C{sub 2}H{sub 2}) ratios in comets from the viewpoint of conversion from C{sub 2}H{sub 2} to C{sub 2}H{sub 6} in the precometary ices. We found that (C{sub 2}H{sub 2}+C{sub 2}H{sub 6})/H{sub 2}O ratio in C/2004 Q2 is lower than the ratio in typical Oort Cloud comets while C{sub 2}H{sub 6}/(C{sub 2}H{sub 6}+C{sub 2}H{sub 2}) ratio in C/2004 Q2 is consistent with the ratio of the typical Oort Cloud comets and Jupiter family comets. If we assume that the cometary volatiles such as H{sub 2}O, CH{sub 4}, and C{sub 2}H{sub 2} formed similar environment, the C{sub 2}H{sub 6}/(C{sub 2}H{sub 6}+C{sub 2}H{sub 2}) ratio might not be sensitive in the temperature range where hydrogen-addition reactions occurred and cometesimals formed ({approx}30 K). We employed the dynamical-evolutional model and the chemical-evolutional model to determine the formation region of C/2004 Q2 more precisely. We found that comet C/2004 Q2 might have formed in relatively inner region of the solar nebula than the typical Oort Cloud comet (but slightly further than 5 AU from the proto-Sun).

  20. Uncorrelated volatile behavior during the 2011 apparition of comet C/2009 P1 Garradd

    SciTech Connect (OSTI)

    Feaga, Lori M.; A'Hearn, Michael F.; Farnham, Tony L.; Bodewits, Dennis; Sunshine, Jessica M.; Gersch, Alan M.; Protopapa, Silvia [Department of Astronomy, University of Maryland, College Park, MD 20742 (United States); Yang, Bin [Institute for Astronomy, University of Hawaii, Honolulu, HI 96822 (United States); Drahus, Michal [Division of Physics, Mathematics and Astronomy, California Institute of Technology, Pasadena, CA 91125 (United States); Schleicher, David G., E-mail: feaga@astro.umd.edu [Lowell Observatory, Flagstaff, AZ 86001 (United States)

    2014-01-01

    The High Resolution Instrument Infrared Spectrometer (HRI-IR) on board the Deep Impact Flyby spacecraft detected H{sub 2}O, CO{sub 2}, and CO in the coma of the dynamically young Oort Cloud comet C/2009 P1 (Garradd) post-perihelion at a heliocentric distance of 2 AU. Production rates were derived for the parent volatiles, Q {sub H2O} = 4.6 ± 0.8 × 10{sup 28}, Q {sub CO2} = 3.9 ± 0.7 × 10{sup 27}, and Q {sub CO} = 2.9 ± 0.8 × 10{sup 28} molecules s{sup –1}, and are consistent with the trends seen by other observers and within the error bars of measurements acquired during a similar time period. When compiled with other observations of Garradd's dominant volatiles, unexpected behavior was seen in the release of CO. Garradd's H{sub 2}O outgassing, increasing and peaking pre-perihelion and then steadily decreasing, is more typical than that of CO, which monotonically increased throughout the entire apparition. Due to the temporal asymmetry in volatile release, Garradd exhibited the highest CO to H{sub 2}O abundance ratio ever observed for any comet inside the water snow line at ?60% during the HRI-IR observations. Also, the HRI-IR made the only direct measurement of CO{sub 2}, giving a typical cometary abundance ratio of CO{sub 2} to H{sub 2}O of 8% but, with only one measurement, no sense of how it varied with orbital position.

  1. Volatile organic compound sensor system

    DOE Patents [OSTI]

    Schabron, John F.; Rovani, Jr., Joseph F.; Bomstad, Theresa M.; Sorini-Wong, Susan S.; Wong, Gregory K.

    2011-03-01

    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.

  2. Volatile organic compound sensor system

    DOE Patents [OSTI]

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

    2009-02-10

    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.

  3. Update on Biochemistry of Plant Volatiles Biochemistry of Plant Volatiles1

    E-Print Network [OSTI]

    Pichersky, Eran

    to be emitted from plants, al- though a comprehensive list is available only for floral volatiles (Knudsen et alUpdate on Biochemistry of Plant Volatiles Biochemistry of Plant Volatiles1 Natalia Dudareva*, Eran, Beutenberg Campus, D­007745 Jena, Germany (J.G.) Plants have a penchant for perfuming the atmo- sphere around

  4. VOLATILITY TIME AND PROPERTIES OF OPTION PRICES: A SUMMARY

    E-Print Network [OSTI]

    Janson, Svante

    VOLATILITY TIME AND PROPERTIES OF OPTION PRICES: A SUMMARY volatility time, to show convexity of option prices in the underlying asset if the contract function is convex as well as continuity and monotonicity of the option price in the volatility

  5. Noise Reduced Realized Volatility: A Kalman Filter Approach

    E-Print Network [OSTI]

    Owens, John; Steigerwald, Douglas G

    2009-01-01

    F. , 2004. Microstructure Noise, Realized Volatility, andof Market Microstructure Noise. Working Paper w9611, NBER.Noise Reduced Realized Volatility: A Kalman Filter Approach

  6. RESEARCH PAPER Identification of loci affecting flavour volatile emissions in

    E-Print Network [OSTI]

    Klee, Harry J.

    RESEARCH PAPER Identification of loci affecting flavour volatile emissions in tomato fruits Denise shown that emissions of carotenoid-derived volatiles were directly correlated with the fruit carotenoid

  7. 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)

    1995-01-01

    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.

  8. Volatile organic compound sensing devices

    DOE Patents [OSTI]

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

    1995-08-29

    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.

  9. Securing non-volatile memory regions

    DOE Patents [OSTI]

    Faraboschi, Paolo; Ranganathan, Parthasarathy; Muralimanohar, Naveen

    2013-08-20

    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.

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

    SciTech Connect (OSTI)

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

    1982-09-01

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

  11. Development of very high J<sub>c> in Ba(Fe<sub>1-xsub>Cox)>2sub>As>2sub> thin films grown on CaF<sub>2sub>

    SciTech Connect (OSTI)

    Tarantini, C.; Kametani, F.; Lee, S.; Jiang, J.; Weiss, J. D.; Jaroszynski, J.; Hellstrom, E. E.; Eom, C. B.; Larbalestier, D. C.

    2014-12-03

    Ba(Fe<sub>1-xsub>Cox)>2sub>As>2sub> is the most tunable of the Fe-based superconductors (FBS) in terms of acceptance of high densities of self-assembled and artificially introduced pinning centres which are effective in significantly increasing the critical current density, J<sub>c>. Moreover, FBS are very sensitive to strain, which induces an important enhancement in critical temperature,T<sub>c>, of the material. In this study we demonstrate that strain induced by the substrate can further improve J<sub>c> of both single and multilayer films by more than that expected simply due to the increase in T<sub>c>. The multilayer deposition of Ba(Fe<sub>1-xsub>Cox)>2sub>As>2sub> on CaF<sub>2sub> increases the pinning force density (F<sub>p=Jc> x ??H) by more than 60% compared to a single layer film, reaching a maximum of 84 GN/m3 at 22.5 T and 4.2 K, the highest value ever reported in any 122 phase.

  12. Partitioning of Volatile Organics in Diesel Particulate and Exhaust

    Office of Energy Efficiency and Renewable Energy (EERE)

    Evaluation of how sampling details affect the measurement of volatile organic compounds in diesel exhaust

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

    E-Print Network [OSTI]

    Tino, Peter

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

  14. Reactive flash volatilization of fluid fuels

    DOE Patents [OSTI]

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

    2013-01-08

    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.

  15. Pressure maintenance in a volatile oil reservoir 

    E-Print Network [OSTI]

    Schuster, Bruce Alan

    1989-01-01

    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...

  16. 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

    2002-01-01

    AGAINST VOLATILE NATURAL GAS PRICES Mark Bolinger, RyanAGAINST VOLATILE NATURAL GAS PRICES Mark Bolinger, Ryanwake of unprecedented natural gas price volatility during

  17. Volatile Species Retention During Metallic Fuel Casting

    SciTech Connect (OSTI)

    Randall S. Fielding; Douglas L. Proter

    2013-10-01

    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.

  18. 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.

    2014-07-22

    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.

  19. Integration of Non-volatile Memory into Storage Hierarchy 

    E-Print Network [OSTI]

    Qiu, Sheng

    2013-12-04

    In this dissertation, we present novel approaches for integrating non-volatile memory devices into storage hierarchy of a computer system. There are several types of non- volatile memory devices, such as flash memory, Phase ...

  20. 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

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

    E-Print Network [OSTI]

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

  2. Storage Systems for Non-volatile Memory Devices 

    E-Print Network [OSTI]

    Wu, Xiaojian

    2011-10-21

    This dissertation presents novel approaches to the use of non-volatile memory devices in building storage systems. There are many types of non-volatile memory devices, and they usually have better performance than regular magnetic hard disks...

  3. Forecasting Stock Market Volatility: Evidence from Fourteen Countries. 

    E-Print Network [OSTI]

    Balaban, Ercan; Bayar, Asli; Faff, Robert

    2002-01-01

    This paper evaluates the out-of-sample forecasting accuracy of eleven models for weekly and monthly volatility in fourteen stock markets. Volatility is defined as within-week (within-month) standard deviation of continuously ...

  4. Essays on Financial Market Volatility and Real Economic Activity

    E-Print Network [OSTI]

    Choi, Sang Yup

    2015-01-01

    we add the volatility of crude oil prices (West Texas Inter-Federal Funds Rate Corr w/ changes in Crude oil price Corrw/ Crude oil price volatility* Corr w/ changes in Baa-Aaa

  5. X-ray elemental online analyzer measures volatiles

    SciTech Connect (OSTI)

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

    2008-04-15

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

  6. Recovery of semi-volatile organic compounds during sample preparation: Compilation for characterization of airborne particulate matter

    SciTech Connect (OSTI)

    Swartz, Erick; Stockburger, Leonard; Gundel, Lara

    2002-05-01

    Semi-volatile compounds present special analytical challenges not met by conventional methods for analysis of ambient particulate matter (PM). Accurate quantification of PM-associated organic compounds requires validation of the laboratory procedures for recovery over a wide volatility and polarity range. To meet these challenges, solutions of n-alkanes (nC{sub 12} to nC{sub 40}) and polycyclic aromatic hydrocarbons PAHs (naphthalene to benzo[ghi]perylene) were reduced in volume from a solvent mixture (equal volumes of hexane, dichloromethane and methanol), to examine recovery after reduction in volume. When the extract solution volume reached 0.5 mL the solvent was entirely methanol, and the recovery averaged 60% for n-alkanes nC{sub 12} to nC{sub 25} and PAHs from naphthalene to chrysene. Recovery of higher MW compounds decreased with MW, because of their insolubility in methanol. When the walls of the flasks were washed with 1 mL of equal parts hexane and dichloromethane (to reconstruct the original solvent composition), the recovery of nC{sub 18} and higher MW compounds increased dramatically, up to 100% for nC{sub 22}-nC{sub 32} and then slowly decreasing with MW due to insolubility. To examine recovery during extraction of the components of the High Capacity Integrated Gas and Particle Sampler, the same standards were used to spike its denuders and filters. For XAD-4 coated denuders and filters, normalized recovery was > 95% after two extractions. Recovery from spiked quartz filters matched the recovery from the coated surfaces for alkanes nC{sub 18} and larger, and for fluoranthene and larger PAHs. Lower MW compounds evaporated from the quartz filter with the spiking solvent. This careful approach allowed quantification of organics by correcting for volatility- and solubility-related sample preparation losses. This method is illustrated for an ambient sample collected with this sampler during the Texas Air Quality Study 2000.

  7. Volatility Persistence in Crude Oil Markets Amlie CHARLES

    E-Print Network [OSTI]

    Boyer, Edmond

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

  8. Robust Replication of Volatility Derivatives and Roger Lee

    E-Print Network [OSTI]

    Lee, Roger

    The tradeoff between risk and return is a central theme of finance, and volatility and variance of returns are standard measures of risk. The volatility of a stock is revealed by the market price of an option, allow us to replicate volatility derivatives, by dynamic trading in standard options and the underlying

  9. 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 ...

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

    SciTech Connect (OSTI)

    Bom, N. M.; Soares, G. V.; Hartmann, S.; Bordin, A.; Radtke, C.

    2014-10-06

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

  11. WRF-Chem model predictions of the regional impacts of N<sub>2sub>O>5sub> heterogeneous processes on night-time chemistry over north-western Europe

    SciTech Connect (OSTI)

    Lowe, Douglas; Archer-Nicholls, Scott; Morgan, Will; Allan, James D.; Utembe, Steve; Ouyang, Bin; Aruffo, Eleonora; Le Breton, Michael; Zaveri, Rahul A.; di Carlo, Piero; Percival, Carl; Coe, H.; Jones, Roderic L.; McFiggans, Gordon

    2015-01-01

    Chemical modelling studies have been conducted over north-western Europe in summer conditions, showing that night-time dinitrogen pentoxide (N<sub>2sub>O>5sub>) heterogeneous reactive uptake is important regionally in modulating particulate nitrate and has a~modest influence on oxidative chemistry. Results from Weather Research and Forecasting model with Chemistry (WRF-Chem) model simulations, run with a detailed volatile organic compound (VOC) gas-phase chemistry scheme and the Model for Simulating Aerosol Interactions and Chemistry (MOSAIC) sectional aerosol scheme, were compared with a series of airborne gas and particulate measurements made over the UK in July 2010. Modelled mixing ratios of key gas-phase species were reasonably accurate (correlations with measurements of 0.7–0.9 for NO<sub>2sub> and O<sub>3sub>). However modelled loadings of particulate species were less accurate (correlation with measurements for particulate sulfate and ammonium were between 0.0 and 0.6). Sulfate mass loadings were particularly low (modelled means of 0.5–0.7 ?g kg?1<sub>air>, compared with measurements of 1.0–1.5 ?g kg?1<sub>air>). Two flights from the campaign were used as test cases – one with low relative humidity (RH) (60–70%), the other with high RH (80–90%). N<sub>2sub>O>5sub> heterogeneous chemistry was found to not be important in the low-RH test case; but in the high-RH test case it had a strong effect and significantly improved the agreement between modelled and measured NO<sub>3sub> and N<sub>2sub>O>5sub>. When the model failed to capture atmospheric RH correctly, the modelled NO<sub>3sub> and N<sub>2sub>O>5sub> mixing ratios for these flights differed significantly from the measurements. This demonstrates that, for regional modelling which involves heterogeneous processes, it is essential to capture the ambient temperature and water vapour profiles.

    The night-time NO<sub>3sub> oxidation of VOCs across the whole region was found to be 100–300 times slower than the daytime OH oxidation of these compounds. The difference in contribution was less for alkenes (× 80) and comparable for dimethylsulfide (DMS). However the suppression of NO<sub>3sub> mixing ratios across the domain by N<sub>2sub>O>5sub> heterogeneous chemistry has only a very slight, negative, influence on this oxidative capacity. The influence on regional particulate nitrate mass loadings is stronger. Night-time N<sub>2sub>O>5sub> heterogeneous chemistry maintains the production of particulate nitrate within polluted regions: when this process is taken into consideration, the daytime peak (for the 95th percentile) of PM<sub>10sub> nitrate mass loadings remains around 5.6 ?g kg?1<sub>air>, but the night-time minimum increases from 3.5 to 4.6 ?g kg?1<sub>air>. The sustaining of higher particulate mass loadings through the night by this process improves model skill at matching measured aerosol nitrate diurnal cycles and will negatively impact on regional air quality, requiring this process to be included in regional models.

  12. Hollow-fiber gas-membrane process for removal of NH{sub 3} from solution of NH{sub 3} and CO{sub 2}

    SciTech Connect (OSTI)

    Qin, Y.; Cabral, J.M.S.; Wang, S.

    1996-07-01

    A hollow-fiber supported gas membrane process for the separation of NH{sub 3} from aqueous solutions containing both NH{sub 3} and CO{sub 2} was investigated theoretically and experimentally. A lumen laminar flow and radial diffusion model was applied to calculate the membrane wall transfer coefficient from the data stripping a single volatile component, NH{sub 3} or CO{sub 2}, from their individual aqueous solutions. Influence of the type of membranes and operating conditions on mass-transfer rate were discussed, especially the influence of the membrane transfer coefficient on the film mass-transfer coefficient in the lumen. Appropriate configurations of the hollow-fiber modules for stripping of a single component were analyzed to optimize mass transfer. To predict the stripping of NH{sub 3} from a solution containing NH{sub 3} and CO{sub 2}, a mathematical model incorporating local chemical equilibria and Nernst-Planck diffusion was developed to describe the mass transport. The models described the experimental data fairly well. The experimental results showed that the supported gas membrane process can be used to remove NH{sub 3} effectively from aqueous media containing NH{sub 3} and CO{sub 2}.

  13. Agency Sub-

    Broader source: Energy.gov (indexed) [DOE]

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of Natural GasAdjustmentsShirleyEnergyTher i n c i p a l De p u t y A sCOLONY PROJECTRecord4 TheAgency Sub- agency Title Of

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

    SciTech Connect (OSTI)

    Zhang, Hongyu; Schuchardt, Frank; Li, Guoxue; Yang, Jinbing; Yang, Qingyuan

    2013-04-15

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

  15. 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

    2007-08-28

    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.

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

    DOE Patents [OSTI]

    Robinson, Alex L.; Anderson, Lawrence F.

    2004-03-16

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

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

    E-Print Network [OSTI]

    Black, Benjamin A. (Benjamin Alexander)

    2013-01-01

    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 ...

  18. 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...

  19. Evaluation of Models for Solubility and Volatility of Copper...

    Office of Scientific and Technical Information (OSTI)

    Title: Evaluation of Models for Solubility and Volatility of Copper Compounds Under Steam Generation Conditions The loss in efficiency of power plants with mixed metallurgy,...

  20. A Big Data Approach to Analyzing Market Volatility

    E-Print Network [OSTI]

    Wu, Kesheng

    2014-01-01

    A Big Data Approach to Analyzing Market Volatility KeshengUniversity of California. A Big Data Approach to Analyzingefforts to handle the big data problem. However, the

  1. Class 2 Permit Modification Request Revise Volatile Organic Compound...

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

    Monitoring Program scfm standard cubic feet per minute (ft 3 min) TCE trichloroethylene TIC tentatively identified compound TRU transuranic VOC volatile organic compound WIPP...

  2. 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...

  3. Guava leaf volatiles and dimethyl disulphide inhibit response of Diaphorina citri Kuwayama to host plant volatiles

    E-Print Network [OSTI]

    Burns, Jacqueline K.

    bacteria in the genus Liberibacter, which are the causal agents of huang- longbing (HLB) (Tsai et al. 1988 citrus with guava, Psidium guajava L., was reported to reduce D. citri populations and incidence of HLB conducted to compare sulphur volatile profiles of citrus and guava, used in our behavioural assays

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

    E-Print Network [OSTI]

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

  5. Multivariate High-Frequency-Based Volatility (HEAVY) Models Diaa Noureldin

    E-Print Network [OSTI]

    Wolfe, Patrick J.

    Multivariate High-Frequency-Based Volatility (HEAVY) Models Diaa Noureldin Department of Economics.sheppard@economics.ox.ac.uk February 18, 2011 Abstract This paper introduces a new class of multivariate volatility models multivariate GARCH models. We also discuss their covariance targeting speci...cation and provide closed

  6. MARKET VOLATILITY AND FEEDBACK EFFECTS FROM DYNAMIC HEDGING1

    E-Print Network [OSTI]

    Frey, Rüdiger

    expression for the transformation of market volatility under the impact of such strategies. It turns outMARKET VOLATILITY AND FEEDBACK EFFECTS FROM DYNAMIC HEDGING1 Rudiger Frey Department of Statistics, University of Bonn, D-53113 Bonn, Germany Alexander Stremme Financial Markets Group, London School

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

    E-Print Network [OSTI]

    Stanley, H. Eugene

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

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

    E-Print Network [OSTI]

    Forsyth, Peter A.

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

  9. IMPLICIT SOLUTION OF UNCERTAIN VOLATILITY/TRANSACTION COST

    E-Print Network [OSTI]

    Forsyth, Peter A.

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

  10. NOAAINMFS Developments Japan Eases Stance

    E-Print Network [OSTI]

    eventually finds its way to the flesh I . Nlhoa I KAUAI ,pO = MAUl OOCit)" 176 26 Marine Fisheries Review of a cooperative long- term effort involving the Honolulu Laboratory, the State of Hawaii's Department of Land and Natural Re- sources, the U.S. Fish and Wildlife Service, and the University of Hawaii's Sea Grant Program

  11. Moving contact line of a volatile fluid

    E-Print Network [OSTI]

    V. Janecek; B. Andreotti; D. Prazak; T. Barta; V. S. Nikolayev

    2012-12-15

    Interfacial flows close to a moving contact line are inherently multi-scale. The shape of the interface and the flow at meso- and macroscopic scales inherit an apparent interface slope and a regularization length, both called after Voinov, from the dynamical processes at work at the microscopic level. Here, we solve this inner problem in the case of a volatile fluid at equilibrium with its vapor. The evaporative/condensation flux is then controlled by the dependence of the saturation temperature on interface curvature -- the so-called Kelvin effect. We derive the dependencies of the Voinov angle and of the Voinov length as functions of the substrate temperature. The relevance of the predictions for experimental problems is finally discussed.

  12. Moving contact line of a volatile fluid

    E-Print Network [OSTI]

    Janecek, V; Prazak, D; Barta, T; Nikolayev, V S

    2012-01-01

    Interfacial flows close to a moving contact line are inherently multi-scale. The shape of the interface and the flow at meso- and macroscopic scales inherit an apparent interface slope and a regularization length, both called after Voinov, from the dynamical processes at work at the microscopic level. Here, we solve this inner problem in the case of a volatile fluid at equilibrium with its vapor. The evaporative/condensation flux is then controlled by the dependence of the saturation temperature on interface curvature -- the so-called Kelvin effect. We derive the dependencies of the Voinov angle and of the Voinov length as functions of the substrate temperature. The relevance of the predictions for experimental problems is finally discussed.

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

    SciTech Connect (OSTI)

    Romanov, V

    2012-10-23

    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.

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

    SciTech Connect (OSTI)

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

    2011-09-28

    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.

  15. Bond Price Volatility c2012 Prof. Yuh-Dauh Lyuu, National Taiwan University Page 75

    E-Print Network [OSTI]

    Lyuu, Yuh-Dauh

    Bond Price Volatility c2012 Prof. Yuh-Dauh Lyuu, National Taiwan University Page 75 #12;"Well Taiwan University Page 76 #12;Price Volatility · Volatility measures how bond prices respond to interest-coupon bonds here. c2012 Prof. Yuh-Dauh Lyuu, National Taiwan University Page 77 #12;Price Volatility

  16. Bond Price Volatility c 2008 Prof. Yuh-Dauh Lyuu, National Taiwan University Page 71

    E-Print Network [OSTI]

    Lyuu, Yuh-Dauh

    Bond Price Volatility c 2008 Prof. Yuh-Dauh Lyuu, National Taiwan University Page 71 #12;"Well Taiwan University Page 72 #12;Price Volatility · Volatility measures how bond prices respond to interest-coupon bonds throughout. c 2008 Prof. Yuh-Dauh Lyuu, National Taiwan University Page 73 #12;Price Volatility

  17. Bond Price Volatility c 2011 Prof. Yuh-Dauh Lyuu, National Taiwan University Page 74

    E-Print Network [OSTI]

    Lyuu, Yuh-Dauh

    Bond Price Volatility c 2011 Prof. Yuh-Dauh Lyuu, National Taiwan University Page 74 #12;"Well Taiwan University Page 75 #12;Price Volatility · Volatility measures how bond prices respond to interest-coupon bonds throughout. c 2011 Prof. Yuh-Dauh Lyuu, National Taiwan University Page 76 #12;Price Volatility

  18. Volatility and Growth: Credit Constraints and the Composition of Investment

    E-Print Network [OSTI]

    Aghion, Philippe

    How does uncertainty and credit constraints affect the cyclical composition of investment and thereby volatility and growth? This paper addresses this question within a model where firms engage in two types of investment: ...

  19. 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...

  20. 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:...

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

    E-Print Network [OSTI]

    Kim, Eun Hie

    2009-01-01

    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 ...

  2. 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 spectral analysis, we first identified 85 peptides from the tree shrew hypothalamus. Differential analysis Tree shrew Neuropeptide Hypothalamus Anesthesia 1. Introduction General anesthesia is characterized

  3. Essays on Return and Volatility on World Stock Markets

    E-Print Network [OSTI]

    Liu, Jia

    2013-08-31

    sizes and etc. Those questions are addressed in this dissertation research. In Chapter 2, co-movements across worldwide stock markets are investigated. A dynamic factor model is designed to decompose stock return volatility into three orthogonal factors...

  4. Bulls, Bears and Excess Volatility: can currency intervention help?

    E-Print Network [OSTI]

    Corrado, Luisa; Miller, Marcus; Zhang, Lei

    and exit of currency 'bulls' and 'bears' with switches driven by 'draw-down' trading rules. We argue that non-sterilised intervention - in support of 'monitoring band' - can reduce excess volatility by coordinating beliefs in line with policy. Strategic...

  5. Financial distortions and the distribution of global volatility

    E-Print Network [OSTI]

    Eden, Maya Rachel

    2011-01-01

    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 ...

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

    E-Print Network [OSTI]

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

    2006-01-01

    Hazard volatilization emitted from walls enters into airflow in the room, making the indoor air quality worse. An exterior wall of some thickness is affected on its surface by the outdoor air environment. In this paper, ...

  7. Volatility of Vanadia from Vanadia-Based SCR Catalysts under...

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

    Vanadia from Vanadia-Based SCR Catalysts under Accelerated Aging Conditions Volatility of Vanadia from Vanadia-Based SCR Catalysts under Accelerated Aging Conditions TiO2-supported...

  8. Detecting Contagion with Correlation: Volatility and Timing Matter

    E-Print Network [OSTI]

    Dungey, Mardi; Yalama, Abdullah

    , volatility spillover JEL Classi?cation: G01, C22, G15, C51. ?Yalama acknowledges support from an Eskisehir Osmangazi University Research Grant (200817046).The authors contact details are: Dungey; Mardi.Dungey@utas.edu.au, Yalama; Abdul- lah... countries during times of ?nancial crisis by comparing the results of the Forbes and Rigobon test with those of the Hong (2001) volatility spillover test. The second potentially important determinant of contagion outcomes is in the tim- ing of the collected...

  9. 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)

    2013-09-23

    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.

  10. New insulating antiferromagnetic quaternary iridates MLa<sub>10sub>Ir>4sub>O>24sub> (M=Sr, Ba)

    SciTech Connect (OSTI)

    Zhao, Qingbiao; Han, Fei; Stoumpos, Constantinos C.; Han, Tian -Heng; Li, Hao; Mitchell, J. F.

    2015-07-01

    Recently, oxides of Ir4+ have received renewed attention in the condensed matter physics community, as it has been reported that certain iridates have a strongly spin-orbital coupled (SOC) electronic state, J<sub>eff> = ˝, that defines the electronic and magnetic properties. The canonical example is the Ruddlesden-Popper compound Sr<sub>2sub>IrO>4sub>, which has been suggested as a potential route to a new class of high temperature superconductor due to the formal analogy between J<sub>eff> = ˝ and the S = ˝ state of the cuprate superconductors. The quest for other iridium oxides that present tests of the underlying SOC physics is underway. In this spirit, here we report the synthesis and physical properties of two new quaternary tetravalent iridates, MLa<sub>10sub>Ir>4sub>O>24sub> (M = Sr, Ba). The crystal structure of both compounds features isolated IrO<sub>6sub> octahedra in which the electronic configuration of Ir is d5. As a result, both compounds order antiferromagnetically despite the lack of obvious superexchange pathways, and resistivity measurement shows that SrLa<sub>10sub>Ir>4sub>O>24sub> is an insulator.

  11. Polytypism, polymorphism, and superconductivity in TaSe<sub>2sub>–xTex>

    SciTech Connect (OSTI)

    Luo, Huixia; Xie, Weiwei; Tao, Jing; Inoue, Hiroyuki; Gyenis, András; Krizan, Jason W.; Yazdani, Ali; Zhu, Yimei; Cava, Robert Joseph

    2015-03-03

    Polymorphism in materials often leads to significantly different physical properties - the rutile and anatase polymorphs of TiO? are a prime example. Polytypism is a special type of polymorphism, occurring in layered materials when the geometry of a repeating structural layer is maintained but the layer stacking sequence of the overall crystal structure can be varied; SiC is an example of a material with many polytypes. Although polymorphs can have radically different physical properties, it is much rarer for polytypism to impact physical properties in a dramatic fashion. Here we study the effects of polytypism and polymorphism on the superconductivity of TaSe?, one of the archetypal members of the large family of layered dichalcogenides. We show that it is possible to access 2 stable polytypes and 2 stable polymorphs in the TaSe<sub>2-xsub>Tex> solid solution, and find that the 3R polytype shows a superconducting transition temperature that is between 6 and 17 times higher than that of the much more commonly found 2H polytype. Thus, the reason for this dramatic change is not apparent, but we propose that it arises either from a remarkable dependence of T<sub>c> on subtle differences in the characteristics of the single layers present, or from a surprising effect of the layer stacking sequence on electronic properties that instead are expected to be dominated by the properties of a single layer in materials of this kind.

  12. 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.

    1996-03-01

    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.

  13. 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.

    1994-09-30

    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.

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

    SciTech Connect (OSTI)

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

    2013-01-01

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

  15. Temperature dependence of the coercive force in Nd sub 4 Fe sub 77 B sub 19

    SciTech Connect (OSTI)

    Eckert, D.; Muller, K.H.; Handstein, A.; Schneider, J. ); Grossinger, R.; Krewenka, R. )

    1990-09-01

    The temperature dependence of coercivity {sub J}H{sub c} of Fe{sub 3}B-based Nd{sub 4}Fe{sub 77}B{sub 19} permanent magnetic materials is analysed. The coercivity of these melt-spun materials vanishes above the Curie temperature of the minor phase Nd{sub 2}Fe{sub 14}B. As well as melt-spun Nd-rich magnets, Nd{sub 4}Fe{sub 77}B{sub 19} magnets show a maximum in the {sub J}H{sub c} versus T curve at low temperatures. The coercivity of these melt-spun materials has a smaller temperature coefficient than sintered Nd-rich NdFeB magnets. The relation of the observed T- dependence of {sub J}H{sub c}, to the anisotropy field H{sub A}(T) of Nd{sub 2}Fe{sub 14}B is discussed.

  16. Analysis of the CO<sub>2sub>-H>2sub>O Chemisorption in Lithium Silicates at Low Temperatures (30-80 °C)

    SciTech Connect (OSTI)

    Alcantar-Vazquez, Brenda; Pfeiffer, Heriberto; Díaz Herrera, Pablo R.; Gonzalez, Alejandro Barrera; Duan, Yuhua

    2015-01-01

    Li<sub>8sub>SiO>6sub> and Li<sub>4sub>SiO>4sub> were synthesized by a solid-state reaction. Then, dynamic and isothermal thermogravimetric water vapor sorption experiments were performed using two carrier gases: N<sub>2sub> and CO<sub>2sub>. Initially, the Li<sub>8sub>SiO>6sub>-H>2sub>O-(N>2sub> or CO<sub>2sub>) systems were analyzed. It was evidenced that Li<sub>8sub>SiO>6sub> can trap water physically and chemically, producing Li-OH superficial species. When CO<sub>2sub> was used as the carrier gas, Li<sub>8sub>SiO>6sub> continued chemisorbing H<sub>2sub>O but CO<sub>2sub> was trapped as well, forming Li<sub>2sub>CO>3sub> and Li<sub>4sub>SiO>4sub> as secondary phases. On the basis of these results, the Li<sub>4sub>SiO>4sub>-H>2sub>O-CO>2sub> system was also analyzed. The experimental results and different theoretical thermodynamic calculations confirmed that Li<sub>8sub>SiO>6sub> can chemisorb 2 moles of CO<sub>2sub> per mole of ceramic at a low temperature range (30-80 °C). Finally, different CO<sub>2sub> chemisorption kinetic experiments were performed to analyze and quantify the trapped CO<sub>2sub>.

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

    SciTech Connect (OSTI)

    Li, Hui; Yu, Xiqian; Bai, Ying; Wu, Feng; Wu, Chuan; Liu, Liang-Yu; Yang, Xiao-Qing

    2015-01-01

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

  18. 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

    2002-01-01

    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,

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

    E-Print Network [OSTI]

    Donahue, Neil 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. Evidence for tt?? Production and Measurement of (?<sub> tt?sub>)?/(?tt?>)

    SciTech Connect (OSTI)

    Aaltonen, T; Alvarez Gonzalez, B; Amerio, S; Amidei, D; Anastassov, A; Annovi, A; Antos, J; Apollinari, G; Appel, J A; Apresyan, A; Arisawa, T

    2011-08-31

    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.

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

    SciTech Connect (OSTI)

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

    2014-11-01

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

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

    SciTech Connect (OSTI)

    Litombe, N. E.; Bollinger, A. T.; Hoffman, J. E.; Bozovic, I.

    2014-07-02

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

  3. 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

    2002-01-01

    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

  4. 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

    2002-01-01

    Against Volatile Natural Gas Prices Mark Bolinger, Ryanwake of unprecedented natural gas price volatility duringyears) to a 10-year natural gas price forecast (i.e. , what

  5. Glossary of Volatile Organic Compounds Ethylbenzene Carbon tetrachloride

    E-Print Network [OSTI]

    Glossary of Volatile Organic Compounds · Ethylbenzene · Carbon tetrachloride · Benzene · 1 and petroleum. It is also found in manufactured products such as inks, insecticides, and paints. Ethylbenzene, carpet glues, varnishes and paints, and use of tobacco. Some people are exposed to ethylbenzene at work

  6. The Volatility of Liquidity and Expected Stock Returns 

    E-Print Network [OSTI]

    Akbas, Ferhat 1981-

    2011-07-29

    The pricing of total liquidity risk is studied in the cross-section of stock returns. The study suggests that there is a positive relation between total volatility of liquidity and expected returns. Our measure of liquidity is based on Amihud...

  7. Enhanced phytoremediation of volatile environmental pollutants with transgenic trees

    E-Print Network [OSTI]

    Brown, Sally

    , and approved September 12, 2007 (received for review April 9, 2007) Small, volatile hydrocarbons, including systems, these transgenic poplars may provide the means to effectively remediate sites contaminated-and-treat systems as they take up water-soluble contam- inants through their roots and transport/translocate them

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

    E-Print Network [OSTI]

    Gordon, Geoffrey J.

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

  9. Volatile Organic Compounds in Untreated Ambient Groundwater of

    E-Print Network [OSTI]

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

  10. Gasoline price volatility and the elasticity of demand for gasoline1 C.-Y. Cynthia Lina

    E-Print Network [OSTI]

    Lin, C.-Y. Cynthia

    - 1 - Gasoline price volatility and the elasticity of demand for gasoline1 C.-Y. Cynthia Lina, California Abstract We examine how gasoline price volatility impacts consumers' price elasticity of demand for gasoline. Results show that volatility in prices decreases consumer demand for gasoline in the intermediate

  11. Statistics and Its Interface Volume 1 (2008) 279288 Spot volatility estimation for high-frequency data

    E-Print Network [OSTI]

    Fan, Jianqing

    2008-01-01

    Statistics and Its Interface Volume 1 (2008) 279­288 Spot volatility estimation for high-frequency data Jianqing Fan and Yazhen Wang The availability of high-frequency intraday data allows us and volatility of an asset and investigates kernel type estimators of spot volatility based on high-frequency

  12. Volatility and Risk Estimation with Linear and Nonlinear Methods Based on High Frequency

    E-Print Network [OSTI]

    Buehlmann, Peter

    Volatility and Risk Estimation with Linear and Nonlinear Methods Based on High Frequency Data of risk management. The use of high frequency data approximately renders volatility from a latent: (i) to select an accurate forecasting procedure for predicting volatilities based on high frequency

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

    E-Print Network [OSTI]

    1997-01-01

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

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

    SciTech Connect (OSTI)

    Zheludev, Andrey I; Masuda, T.; Dhalenne, G.; Revcolevschi, A.; Frost, C.; Perring, T. G.

    2007-01-01

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

  15. Processing optimization and sintering time dependent magnetic and optical behaviors of Aurivillius Bi{sub 5}Ti{sub 3}FeO{sub 15} ceramics

    SciTech Connect (OSTI)

    Chen Guang; Sun Lin; Ren Qing; Xu Wenfei; Yang Jing; Tang Xiaodong; Bai Wei; Duan Chungang; Chu Junhao; Wu Jing; Meng Xiangjian

    2013-01-21

    Aurivillius Bi{sub 5}Ti{sub 3}FeO{sub 15} (BTF) ceramics were synthesized using the conventional solid state reaction method by optimizing excess of Bi{sub 2}O{sub 3} and sintering time. Their structures, magnetic, and optical properties were investigated in detail. The optimum process to sinter pure Aurivillius BTF ceramics was confirmed to be 3 wt. % excess Bi{sub 2}O{sub 3} to compensate the Bi volatilization at 1050 Degree-Sign C for 240 min (BTF-240M). The microstructure and crystalline structure of the BTF ceramics had little dependence on the sintering time from the x-ray diffraction (XRD) and scanning electron microscopic data. Nevertheless, the magnetic and optical properties were closely related with the sintering time. The overall magnetic behavior of these BTF ceramics was superparamagnetic (SPM), whereas there were unambiguous clues for the existence of antiferromagnetic (AFM) interactions. However, whether the SPM behavior was intrinsic or arised from a tiny amount of spinel Fe{sub 3}O{sub 4} impurity phase cannot be thoroughly ruled out in the XRD detection limit in the present stage. The AFM interactions were weakened upon extending the sintering time. The effective magnetic moment ({mu}{sub eff}), however, demonstrated different dependency on the sintering time. It increased with the sintering time from 80 min to 240 min, and then dropped with further extending the sintering time. Compared with other BTF ceramics, the BTF-240M ceramic showed the highest values of the refractive index n and real part {epsilon}{sub 1}, as well as the lowest ones of the extinction coefficient k and imagine part {epsilon}{sub 2} in whole photon energy range. Finally, a direct inter-band transition was confirmed for these BTF ceramics and optical energy band gaps were determined to be about 3.08, 3.18, and 3.39 eV for 80 min, 150 min, and 240 min sintered BTF ceramics, respectively, yet abnormal optical behavior was observed in BTF-360M ceramic.

  16. Specific heat investigation for line nodes in heavily overdoped Ba<sub>1-xsub>KxFe>2sub>As>2sub>

    SciTech Connect (OSTI)

    Kim, J. S.; Stewart, G. R.; Liu, Yong; Lograsso, Thomas A.

    2015-06-10

    Previous research has found that the pairing symmetry in the iron-based superconductor Ba<sub>1-xsub>KxFe>2sub>As>2sub> changes from nodeless s-wave near optimally doped, x?0.4-0.55 and T<sub>c>>30 K, to nodal (either d-wave or s-wave) at the pure endpoint, x=1 and T<sub>c><4 K. Intense theoretical interest has been focused on this possibility of changing pairing symmetry, where in the transition region both order parameters would be present and time reversal symmetry would be broken. Here we report specific heat measurements in zero and applied magnetic fields down to 0.4 K of three individual single crystals, free of low temperature magnetic anomalies, of heavily overdoped Ba<sub>1-xsub>KxFe>2sub>As>2sub>, x= 0.91, 0.88, and 0.81. The values for T<sub>c>mid are 5.6, 7.2 and 13 K and for H<sub>c2sub>? 4.5, 6, and 20 T respectively. Furthermore, the data can be analyzed in a two gap scenario, ?<sub>2sub>/?>1sub> ? 4, with the magnetic field dependence of ? (=C/T as T?0) showing an anisotropic ‘S-shaped’ behavior vs H, with the suppression of the lower gap by 1 T and ? ? H1/2 overall. Although such a non-linear ? vs H is consistent with deep minima or nodes in the gap structure, it is not clear evidence for one, or both, of the gaps being nodal in these overdoped samples. Thus, following the established theoretical analysis of the specific heat of d-wave cuprate superconductors containing line nodes, we present the specific heat normalized by H1/2 plotted vs T/H1/2 of these heavily overdoped Ba<sub>1-xsub>KxFe>2sub>As>2sub> samples which – thanks to the absence of magnetic impurities in our sample - convincingly shows the expected scaling for line node behavior for the larger gap for all three compositions. There is however no clear observation of the nodal behavior C ??T2 in zero field at low temperatures, with ? ? 2 mJ/molK3 being consistent with the data. Together with the scaling, this leaves open the possibility of extreme anisotropy in a nodeless larger gap, ?<sub>2sub>, such that the scaling works for fields above 0.25 – 0.5 T (0.2 – 0.4 K in temperature units), where this an estimate for the size of the deep minima in the ?<sub>2sub> ~ 20-25 K gap. Furthermore, the location of the change from nodeless?nodal gaps between optimally doped and heavily overdoped Ba<sub>1-xsub>KxFe>2sub>As>2sub> based on the present work may be closer to the KFe<sub>2sub>As>2sub> endpoint than x=0.91.

  17. Synthesis and thermoelectric properties of RuO{sub 2} nanorods

    SciTech Connect (OSTI)

    Music, Denis; Basse, Felix H.-U.; Schneider, Jochen M.; Hassdorf, Ralf

    2010-07-15

    We have explored the effect of the O/Ru ratio on the morphology and the Seebeck coefficient of RuO{sub 2} nanorods (space group P4{sub 2}/mnm) synthesized by reactive sputtering. At an O/Ru ratio of 1.69, a faceted surface is observed, while nanorod formation occurs at O/Ru ratios of 2.03 and 2.24. Using classical molecular dynamics with the potential parameters derived in this work, we show that volatile species enable nanorod formation. Based on ab initio calculations, two effects of the nanorod formation on the Seebeck coefficient are observed: (i) increase due to additional states in the vicinity of the Fermi level and (ii) decrease due to oxygen point defects (volatile species). These two competing effects give rise to a moderate increase in the Seebeck coefficient upon nanorod formation.

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

    SciTech Connect (OSTI)

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

    1993-09-01

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

  19. Synthesis, structure, and physical properties of [Sm(C{sub 6}NO{sub 2}H{sub 5}){sub 3}(H{sub 2}O){sub 2}]{sub 2n}.(H{sub 5}O{sub 2}){sub n}(ZnCl{sub 5}){sub n}(ZnCl{sub 4}){sub 2n}.(H{sub 2}O){sub 2n} with unprecedented ZnCl{sub 5}{sup 3-} species

    SciTech Connect (OSTI)

    Xie Yiming Chen Wentong; Wu Jihuai

    2008-08-15

    A novel bimetallic 4f-3d metal-isonicotinic acid inorganic-organic hybrid complex [Sm(C{sub 6}NO{sub 2}H{sub 5}){sub 3}(H{sub 2}O){sub 2}]{sub 2n}.(H{sub 5}O{sub 2}){sub n}(ZnCl{sub 5}){sub n}(ZnCl{sub 4}){sub 2n}.(H{sub 2}O){sub 2n} (1) has been synthesized via hydrothermal reaction and structurally characterized by single-crystal X-ray diffraction. Complex 1 is characteristic of a one-dimensional polycationic chain-like structure and unprecedented ZnCl{sub 5}{sup 3-} species. Photoluminescent investigation reveals that the title complex displays interesting emissions in a wide region. Optical absorption spectra of 1 reveal the presence of an optical gap of 3.59 eV. - Graphical abstract: A novel bimetallic 4f-3d metal-isonicotinic acid inorganic-organic hybrid complex was synthesized. It is characteristic of a one-dimensional polycationic chain-like structure. Photoluminescent investigation reveals that the title complex displays interesting emissions in a wide region. Optical absorption spectra of 1 reveal the presence of a wide optical bandgap.

  20. 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.

    2014-01-01

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

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

    SciTech Connect (OSTI)

    Chambrier, M-H.; Ibberson, R.M.; Goutenoire, F.

    2010-06-15

    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}.

  2. Method for refreshing a non-volatile memory

    DOE Patents [OSTI]

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

    2008-11-04

    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.

  3. 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.

    2010-11-22

    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.

  4. Fermi surface measurements in YBa sub 2 Cu sub 3 O sub 7-x and La sub 1. 874 Sr sub. 126 CuO sub 4

    SciTech Connect (OSTI)

    Howell, R.H.; Sterne, P.A.; Solal, F.; Fluss, M.J. ); Haghighi, H.; Kaiser, J.H.; Rayner, S.L.; West, R.N. ); Liu, J.Z; Shelton, R. ); Kojima, H. ); Kitazawa, K. )

    1991-06-25

    We report new, ultra high precision measurements of the electron-positron momentum spectra of YBa{sub 2}Cu{sub 3}O{sub 7-x} and La{sub 1.874}Sr{sub 126}CuO{sub 4}. The YBCO experiments were performed on twin free, single crystals and show discontinuities with the symmetry of the Fermi surface of the CuO chain bands. Conduction band and underlying features in LSCO share the same symmetry and can only be separated with the aid of LDA calculations. 5 refs., 3 figs.

  5. Volatility of Power Grids under Real-Time Pricing

    E-Print Network [OSTI]

    Roozbehani, Mardavij; Mitter, Sanjoy K

    2011-01-01

    The paper proposes a framework for modeling and analysis of the dynamics of supply, demand, and clearing prices in power system with real-time retail pricing and information asymmetry. Real-time retail pricing is characterized by passing on the real-time wholesale electricity prices to the end consumers, and is shown to create a closed-loop feedback system between the physical layer and the market layer of the power system. In the absence of a carefully designed control law, such direct feedback between the two layers could increase volatility and lower the system's robustness to uncertainty in demand and generation. A new notion of generalized price-elasticity is introduced, and it is shown that price volatility can be characterized in terms of the system's maximal relative price elasticity, defined as the maximal ratio of the generalized price-elasticity of consumers to that of the producers. As this ratio increases, the system becomes more volatile, and eventually, unstable. As new demand response technolo...

  6. Observation of the Decay B??D<sub>s(*)+K?l????l>

    SciTech Connect (OSTI)

    del Amo Sanchez, P.; Lees, J. P.; Poireau, V.; Prencipe, E.; Tisserand, V.; Garra Tico, J.; Grauges, E.; Martinelli, M.; Palano, A.; Pappagallo, M.; Eigen, G.; Stugu, B.; Sun, L.; Battaglia, M.; Brown, D. N.; Hooberman, B.; Kerth, L. T.; Kolomensky, Yu. G.; Lynch, G.; Osipenkov, I. L.; Tanabe, T.; Hawkes, C. M.; Watson, A. T.; Koch, H.; Schroeder, T.; Asgeirsson, D. J.; Hearty, C.; Mattison, T. S.; McKenna, J. A.; Khan, A.; Randle-Conde, A.; Blinov, V. E.; Buzykaev, A. R.; Druzhinin, V. P.; Golubev, V. B.; Onuchin, A. P.; Serednyakov, S. I.; Skovpen, Yu. I.; Solodov, E. P.; Todyshev, K. Yu.; Yushkov, A. N.; Bondioli, M.; Curry, S.; Kirkby, D.; Lankford, A. J.; Mandelkern, M.; Martin, E. C.; Stoker, D. P.; Atmacan, H.; Gary, J. W.; Liu, F.; Long, O.; Vitug, G. M.; Campagnari, C.; Hong, T. M.; Kovalskyi, D.; Richman, J. D.; Eisner, A. M.; Heusch, C. A.; Kroseberg, J.; Lockman, W. S.; Martinez, A. J.; Schalk, T.; Schumm, B. A.; Seiden, A.; Winstrom, L. O.; Cheng, C. H.; Doll, D. A.; Echenard, B.; Hitlin, D. G.; Ongmongkolkul, P.; Porter, F. C.; Rakitin, A. Y.; Andreassen, R.; Dubrovin, M. S.; Mancinelli, G.; Meadows, B. T.; Sokoloff, M. D.; Bloom, P. C.; Ford, W. T.; Gaz, A.; Nagel, M.; Nauenberg, U.; Smith, J. G.; Wagner, S. R.; Ayad, R.; Toki, W. H.; Jasper, H.; Karbach, T. M.; Merkel, J.; Petzold, A.; Spaan, B.; Wacker, K.; Kobel, M. J.; Schubert, K. R.; Schwierz, R.; Bernard, D.; Verderi, M.; Clark, P. J.; Playfer, S.; Watson, J. E.; Andreotti, M.; Bettoni, D.; Bozzi, C.; Calabrese, R.; Cecchi, A.; Cibinetto, G.; Fioravanti, E.; Franchini, P.; Luppi, E.; Munerato, M.; Negrini, M.; Petrella, A.; Piemontese, L.; Baldini-Ferroli, R.; Calcaterra, A.; de Sangro, R.; Finocchiaro, G.; Nicolaci, M.; Pacetti, S.; Patteri, P.; Peruzzi, I. M.; Piccolo, M.; Rama, M.; Zallo, A.; Contri, R.; Guido, E.; Lo Vetere, M.; Monge, M. R.; Passaggio, S.; Patrignani, C.; Robutti, E.; Tosi, S.; Bhuyan, B.; Prasad, V.; Lee, C. L.; Morii, M.; Adametz, A.; Marks, J.; Schenk, S.; Uwer, U.; Bernlochner, F. U.; Ebert, M.; Lacker, H. M.; Lueck, T.; Volk, A.; Dauncey, P. D.; Tibbetts, M.; Behera, P. K.; Mallik, U.; Chen, C.; Cochran, J.; Crawley, H. B.; Dong, L.; Meyer, W. T.; Prell, S.; Rosenberg, E. I.; Rubin, A. E.; Gao, Y. Y.; Gritsan, A. V.; Guo, Z. J.; Arnaud, N.; Davier, M.; Derkach, D.; Firmino da Costa, J.; Grosdidier, G.; Le Diberder, F.; Lutz, A. M.; Malaescu, B.; Perez, A.; Roudeau, P.; Schune, M. H.; Serrano, J.; Sordini, V.; Stocchi, A.; Wang, L.; Wormser, G.; Lange, D. J.; Wright, D. M.; Bingham, I.; Chavez, C. A.; Coleman, J. P.; Fry, J. R.; Gabathuler, E.; Gamet, R.; Hutchcroft, D. E.; Payne, D. J.; Touramanis, C.; Bevan, A. J.; Di Lodovico, F.; Sacco, R.; Sigamani, M.; Cowan, G.; Paramesvaran, S.; Wren, A. C.; Brown, D. N.; Davis, C. L.; Denig, A. G.; Fritsch, M.; Gradl, W.; Hafner, A.; Alwyn, K. E.; Bailey, D.; Barlow, R. J.; Jackson, G.; Lafferty, G. D.; West, T. J.; Anderson, J.; Cenci, R.; Jawahery, A.; Roberts, D. A.; Simi, G.; Tuggle, J. M.; Dallapiccola, C.; Salvati, E.; Cowan, R.; Dujmic, D.; Fisher, P. H.; Sciolla, G.; Zhao, M.; Lindemann, D.; Patel, P. M.; Robertson, S. H.; Schram, M.; Biassoni, P.; Lazzaro, A.; Lombardo, V.; Palombo, F.; Stracka, S.; Cremaldi, L.; Godang, R.; Kroeger, R.; Sonnek, P.; Summers, D. J.; Nguyen, X.; Simard, M.; Taras, P.; De Nardo, G.; Monorchio, D.; Onorato, G.; Sciacca, C.; Raven, G.; Snoek, H. L.; Jessop, C. P.; Knoepfel, K. J.; LoSecco, J. M.; Wang, W. F.; Corwin, L. A.; Honscheid, K.; Kass, R.; Morris, J. P.; Rahimi, A. M.; Blount, N. L.; Brau, J.; Frey, R.; Igonkina, O.; Kolb, J. A.; Rahmat, R.; Sinev, N. B.; Strom, D.; Strube, J.; Torrence, E.; Castelli, G.; Feltresi, E.; Gagliardi, N.; Margoni, M.; Morandin, M.; Posocco, M.; Rotondo, M.; Simonetto, F.; Stroili, R.; Ben-Haim, E.; Bonneaud, G. R.; Briand, H.; Calderini, G.; Chauveau, J.; Hamon, O.; Leruste, Ph.; Marchiori, G.; Ocariz, J.; Prendki, J.; Sitt, S.; Biasini, M.; Manoni, E.; Rossi, A.; Angelini, C.; Batignani, G.; Bettarini, S.; Carpinelli, M.; Casarosa, G.; Cervelli, A.; Forti, F.; Giorgi, M. A.; Lusiani, A.; Neri, N.; Paoloni, E.; Rizzo, G.; Walsh, J. J.; Lopes Pegna, D.; Lu, C.; Olsen, J.; Smith, A. J. S.; Telnov, A. V.; Anulli, F.; Baracchini, E.; Cavoto, G.; Faccini, R.; Ferrarotto, F.; Ferroni, F.; Gaspero, M.; Li Gioi, L.; Mazzoni, M. A.; Piredda, G.; Renga, F.; Hartmann, T.; Leddig, T.; Schröder, H.; Waldi, R.; Adye, T.; Franek, B.; Olaiya, E. O.; Wilson, F. F.; Emery, S.; Hamel de Monchenault, G.; Vasseur, G.; Yčche, Ch.; Zito, M.; Allen, M. T.; Aston, D.; Bard, D. J.; Bartoldus, R.; Benitez, J. F.; Cartaro, C.; Convery, M. R.; Dorfan, J.; Dubois-Felsmann, G. P.; Dunwoodie, W.; Field, R. C.; Franco Sevilla, M.; Fulsom, B. G.; Gabareen, A. M.; Graham, M. T.; Grenier, P.; Hast, C.; Innes, W. R.

    2011-07-22

    We report the observation of the decay B??D<sub>s(*)+K?l??Żl> based on 342fb?ą of data collected at the ?(4S) resonance with the BABAR detector at the PEP-II e?e? storage rings at SLAC. A simultaneous fit to three D+s decay chains is performed to extract the signal yield from measurements of the squared missing mass in the B meson decay. We observe the decay B??D<sub>s(*)+K?l??Żl> with a significance greater than 5 standard deviations (including systematic uncertainties) and measure its branching fraction to be B(B??D<sub>s(*)+K?l??Żl>)=[6.13+1.04<sub>-1.03sub>(stat)±0.43(syst)±0.51(B(D<sub>s>))]×10??, where the last error reflects the limited knowledge of the D<sub>s> branching fractions.

  7. Extraordinary selectivity of CoMo{sub 3}S{sub 13} chalcogel for C{sub 2}H{sub 6} and CO{sub 2} adsorption.

    SciTech Connect (OSTI)

    Shafaei-Fallah, M.; Rothenberger, Z.; Katsoulidis, A. P.; He, J.; Malliakas, C. D.; Kanatzidis, M. G.

    2011-11-09

    The chalcogel CoMo{sub 3}S{sub 13} is obtained from the reaction of (NH{sub 4}){sub 2}[Mo{sub 3}S{sub 13}] with cobalt acetate in solution. The chalcogel has a BET surface area of 570 m{sup 2} g{sup -1}, and pair distribution function analysis (PDF) and infrared spectroscopy indicate that the [Mo{sub 3}S{sub 13}]{sup 2-} cluster is a building block in the porous network. The CoMo{sub 3}S{sub 13} chalcogel exhibits high selectivity for separating ethane and carbon dioxide from hydrogen and methane.

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

    SciTech Connect (OSTI)

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

    2012-03-01

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

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

    SciTech Connect (OSTI)

    Dr. Timothy Onasch

    2009-09-09

    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.

  10. Stripe-like nanoscale structural phase separation in superconducting BaPb<sub>1-xsub>BixO>3sub>

    SciTech Connect (OSTI)

    Giraldo-Gallo, P.; Zhang, Y.; Parra, C.; Manoharan, H. C.; Beasley, M. R.; Geballe, T. H.; Kramer, M. J.; Fisher, I. R.

    2015-09-16

    The phase diagram of BaPb<sub>1-xsub>BixO>3sub> exhibits a superconducting “dome” in the proximity of a charge density wave phase. For the superconducting compositions, the material coexists as two structural polymorphs. Here we show, via high resolution transmission electron microscopy, that the structural dimorphism is accommodated in the form of partially disordered nanoscale stripes. Identification of the morphology of the nanoscale structural phase separation enables determination of the associated length scales, which we compare to the Ginzburg-Landau coherence length. Thus, we find that the maximum T<sub>c> occurs when the superconducting coherence length matches the width of the partially disordered stripes, implying a connection between the structural phase separation and the shape of the superconducting dome.

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

    DOE Patents [OSTI]

    Johnson, David R. (Aiken, SC)

    1980-01-01

    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.

  12. Fiber optic spectrochemical emission sensor: Detection of volatile chlorinated compounds in air and water using ultra-thin membranes

    SciTech Connect (OSTI)

    Anheier, N.C. Jr.; Olsen, K.B.; Osantowski, R.E.; Evans, J.C. Jr.; Griffin, J.W.

    1993-05-01

    Prior work on the fiber optic spectrochemical emission sensor called HaloSnif{trademark} has been extended to include an ultra-thin membrane which allows passage of volatile organic chlorinated compounds (VOCl). The membrane has been demonstrated to exclude H{sub 2}O during VOCl monitoring. The system is capable of measuring VOCl in gas-phase samples or aqueous solutions over a wide linear dynamic range. The lower limit of detection for trichloroethylene (TCE), perchloroethylene (PCE), carbon tetrachloride (CCl{sub 4}), and other related compounds in the gas-phase is 1 to 5 ppm{sub v/v}, and in the aqueous-phase is 5 to 10 mg/L. Waste site characterization and remediation activities often require chemical analysis in the vadose zone and in groundwater. These analyses are typically performed in analytical laboratories using widely accepted standardized methods such as gas chromatography, gas chromatography/mass spectrometry. The new developments with HaloSnif provide rapid field screening which can augment the standardized methods.

  13. Fluorocarbon assisted atomic layer etching of SiO<sub>2sub> and Si using cyclic Ar/C<sub>4sub>F>8sub> and Ar/CHF<sub>3sub> plasma

    SciTech Connect (OSTI)

    Metzler, Dominik; Li, Chen; Engelmann, Sebastian; Bruce, Robert L.; Joseph, Eric A.; Oehrlein, Gottlieb S.

    2015-11-11

    The need for atomic layer etching (ALE) is steadily increasing as smaller critical dimensions and pitches are required in device patterning. A flux-control based cyclic Ar/C<sub>4sub>F>8sub> ALE based on steady-state Ar plasma in conjunction with periodic, precise C<sub>4sub>F>8sub> injection and synchronized plasma-based low energy Ar+ ion bombardment has been established for SiO<sub>2sub>.1 In this work, the cyclic process is further characterized and extended to ALE of silicon under similar process conditions. The use of CHF<sub>3sub> as a precursor is examined and compared to C<sub>4sub>F>8sub>. CHF<sub>3sub> is shown to enable selective SiO<sub>2sub>/Si etching using a fluorocarbon (FC) film build up. Other critical process parameters investigated are the FC film thickness deposited per cycle, the ion energy, and the etch step length. Etching behavior and mechanisms are studied using in situ real time ellipsometry and X-ray photoelectron spectroscopy. Silicon ALE shows less self-limitation than silicon oxide due to higher physical sputtering rates for the maximum ion energies used in this work, ranged from 20 to 30 eV. The surface chemistry is found to contain fluorinated silicon oxide during the etching of silicon. As a result, plasma parameters during ALE are studied using a Langmuir probe and establish the impact of precursor addition on plasma properties.

  14. The effect of planets beyond the ice line on the accretion of volatiles by habitable-zone rocky planets

    SciTech Connect (OSTI)

    Quintana, Elisa V. [SETI Institute, 189 Bernardo Avenue, Suite 100, Mountain View, CA 94043 (United States); Lissauer, Jack J., E-mail: elisa.quintana@nasa.gov [Space Science and Astrobiology Division 245-3, NASA Ames Research Center, Moffett Field, CA 94035 (United States)

    2014-05-01

    Models of planet formation have shown that giant planets have a large impact on the number, masses, and orbits of terrestrial planets that form. In addition, they play an important role in delivering volatiles from material that formed exterior to the snow line (the region in the disk beyond which water ice can condense) to the inner region of the disk where terrestrial planets can maintain liquid water on their surfaces. We present simulations of the late stages of terrestrial planet formation from a disk of protoplanets around a solar-type star and we include a massive planet (from 1 M {sub ?} to 1 M {sub J}) in Jupiter's orbit at ?5.2 AU in all but one set of simulations. Two initial disk models are examined with the same mass distribution and total initial water content, but with different distributions of water content. We compare the accretion rates and final water mass fraction of the planets that form. Remarkably, all of the planets that formed in our simulations without giant planets were water-rich, showing that giant planet companions are not required to deliver volatiles to terrestrial planets in the habitable zone. In contrast, an outer planet at least several times the mass of Earth may be needed to clear distant regions of debris truncating the epoch of frequent large impacts. Observations of exoplanets from radial velocity surveys suggest that outer Jupiter-like planets may be scarce, therefore, the results presented here suggest that there may be more habitable planets residing in our galaxy than previously thought.

  15. Large single crystal quaternary alloys of IB-IIIA-Se/sub 2/ and methods of synthesizing the same

    DOE Patents [OSTI]

    Ciszek, T.F.

    1986-07-15

    New alloys of Cu/sub x/Ag/sub (1-x)/InSe/sub 2/ (where x ranges between 0 and 1 and preferably has a value of about 0.75) and CuIn/sub y/Ga/sub (1-y)/Se/sub 2/ (where y ranges between 0 and 1 and preferably has a value of about 0.90) in the form of single crystals with enhanced structure perfection, which crystals are substantially free of fissures, are disclosed. Processes are disclosed for preparing the new alloys of Cu/sub x/Ag/sub (1-x)/InSe/sub 2/. The process includes placing stoichiometric quantities of a Cu, Ag, In, and Se reaction mixture or stoichiometric quantities of a Cu, In, Ga, and Se reaction mixture in a refractory crucible in such a manner that the reaction mixture is surrounded by B/sub 2/O/sub 3/, placing the thus loaded crucible in a chamber under a high pressure atmosphere of inert gas to confine the volatile Se to the crucible, and heating the reaction mixture to its melting point. The melt can then be cooled slowly to form, by direct solidification, a single crystal with enhanced structure perfection, which crystal is substantially free of fissures.

  16. Large single crystal quaternary alloys of IB-IIIA-SE.sub.2 and methods of synthesizing the same

    DOE Patents [OSTI]

    Ciszek, Theodore F. (Evergreen, CO)

    1988-01-01

    New alloys of Cu.sub.x Ag.sub.(1-x) InSe.sub.2 (where x ranges between 0 and 1 and preferably has a value of about 0.75) and CuIn.sub.y Ga.sub.(1-y) Se.sub.2 (where y ranges between 0 and 1 and preferably has a value of about 0.90) in the form of single crystals with enhanced structure perfection, which crystals are substantially free of fissures are disclosed. Processes are disclosed for preparing the new alloys of Cu.sub.x Ag.sub.(1-x) InSe.sub.2. The process includes placing stoichiometric quantities of a Cu, Ag, In, and Se reaction mixture or stoichiometric quantities of a Cu, In, Ga, and Se reaction mixture in a refractory crucible in such a manner that the reaction mixture is surrounded by B.sub.2 O.sub.3, placing the thus loaded crucible in a chamber under a high pressure atmosphere of inert gas to confine the volatile Se to the crucible, and heating the reaction mixture to its melting point. The melt can then be cooled slowly to form, by direct solidification, a single crystal with enhanced structure perfection, which crystal is substantially free of fissures.

  17. 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.

    1996-05-03

    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.

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

    SciTech Connect (OSTI)

    Whyatt, G.A. [Pacific Northwest National Lab., Richland, WA (United States); Shade, J.W.; Stegen, G.E. [Westinghouse Hanford Co., Richland, WA (United States)

    1996-12-31

    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 stimulant. 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.

  19. SO<sub>2sub>-Resistant Immobilized Amine Sorbents for CO<sub>2sub> Capture

    SciTech Connect (OSTI)

    Tumuluri, Uma

    2014-01-01

    The solid amine sorbent for CO<sub>2sub> capture process has advantages of simplicity and low operating cost compared to the MEA (monoethanolamine) process. Solid amine sorbents reported so far suffered from either low CO<sub>2sub> capture capacity or low stability in the flue gas environment. This project is aimed at developing a SO<sub>2sub>-resistant solid amine sorbent for capturing CO<sub>2sub> from coal–fired power plants with SCR/FGD which emits SO<sub>2sub>ranging from 15 to 30 ppm and NO ranging from 5 to 10 ppm. The amine sorbent we developed in a previous project degraded rapidly with 65% decrease in the initial capture capacity in presence of 1% SO<sub>2sub>. This amine sorbent was further modified by coating with polyethyleneglycol (PEG) to increase the SO<sub>2sub>-resistance. Polyethylene glycol (PEG) was found to decrease the SO<sub>2sub>-amine interaction, resulting in the decrease in the maximum SO desorption temperature (Tmax ) of amine sorbent. The PEG-coated amine sorbent exhibited higher stability with only 40% decrease in the initial capture capacity compared to un-coated amine sorbents. The cost of the solid amine sorbent developed in this project is estimated to be less than $7.00/lb; the sorbent exhibited CO<sub>2sub> capture capacity more than 2.3 mmol/g. The results of this study provided the scientific basis for further development of SO<sub>2sub>-resistant sorbents.

  20. Liquid-phase compositions from vapor-phase analyses: 4, Preliminary comparisons of calculations with experimental data on N/sub 2/, O/sub 2/, F/sub 2/, SiF/sub 4/, and ClF/sub 3/ in UF/sub 6/

    SciTech Connect (OSTI)

    Davis, W. Jr.

    1987-11-01

    Currently, liquid-phase samples from uranium hexafluoride (UF/sub 6/) cylinders are used at all US DOE /sup 235/U enrichment facilities to determine the chemical content of cylinders - a requisite in the control and accountability of nuclear materials. Previously published reports note the economic incentives to use vapor-phase sampling for volatile impurities (as a partial replacement for liquid-phase sampling) if the liquid-phase composition can be determined from analysis of vapor-phase samples by using a model of vapor-liquid equilibrium between UF/sub 6/ and its common impurities. Such a model was adapted for this purpose in earlier work. Hydrogen fluoride, a common impurity, in UF/sub 6/ was shown not to conform to the model although other methods for calculating its concentration in the liquid phase from vapor-phase analyses were presented. This report describes preliminary comparisons with experimental data of model calculations of concentrations of nitrogen, oxygen, fluorine, chlorine trifluoride, and silicon tetrafluoride in liquid UF/sub 6/ based on analyses of the vapor phases. 4 figs., 13 tabs.

  1. Improved land cover and emission factors for modeling biogenic volatile organic compounds emissions from Hong Kong

    E-Print Network [OSTI]

    Leung, DYC; Wong, P; Cheung, BKH; Guenther, A

    2010-01-01

    organic compounds emissions in Hong Kong. Atmosphericvolatile organic compounds emission inventory for Beijing.volatile organic compound emissions. Journal of Geophysical

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

    E-Print Network [OSTI]

    2009-01-01

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

  3. Efficient growth of HTS films with volatile elements

    DOE Patents [OSTI]

    Siegal, Michael P. (Albuquerque, NM); Overmyer, Donald L. (Albuquerque, NM); Dominguez, Frank (Albuquerque, NM)

    1998-01-01

    A system for applying a volatile element-HTS layer, such as Tl-HTS, to a substrate in a multiple zone furnace, said method includes heating at higher temperature, in one zone of the furnace, a substrate and adjacent first source of Tl-HTS material, to sublimate Tl-oxide from the source to the substrate; and heating at lower temperature, in a separate zone of the furnace, a second source of Tl-oxide to replenish the first source of Tl-oxide from the second source.

  4. Efficient growth of HTS films with volatile elements

    DOE Patents [OSTI]

    Siegal, M.P.; Overmyer, D.L.; Dominguez, F.

    1998-12-22

    A system is disclosed for applying a volatile element-HTS layer, such as Tl-HTS, to a substrate in a multiple zone furnace, said method includes heating at higher temperature, in one zone of the furnace, a substrate and adjacent first source of Tl-HTS material, to sublimate Tl-oxide from the source to the substrate; and heating at lower temperature, in a separate zone of the furnace, a second source of Tl-oxide to replenish the first source of Tl-oxide from the second source. 3 figs.

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

    SciTech Connect (OSTI)

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

    1993-12-31

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

  6. Insight into the Atomic Structure of High-Voltage Spinel LiNi<sub>0.5sub>Mn>1.5sub>O>4sub> Cathode Material in the First Cycle

    SciTech Connect (OSTI)

    Huang, Xuejie; Yu, Xiqian; Lin, Mingxiang; Ben, Liubin; Sun, Yang; Wang, Hao; Yang, Zhenzhong; Gu, Lin; Yang, Xiao -Qing; Zhao, Haofei; Yu, Richeng; Armand, Michel

    2014-12-22

    Application of high-voltage spinel LiNi<sub>0.5sub>Mn>1.5sub>O>4sub> cathode material is the closest and the most realistic approach to meeting the midterm goal of lithium-ion batteries for electric vehicles (EVs) and plug-in hybrid electric vehicles (HEVs). However, this application has been hampered by long-standing issues, such as capacity degradation and poor first-cycle Coulombic efficiency of LiNi<sub>0.5sub>Mn>1.5sub>O>4sub> cathode material. Although it is well-known that the structure of LiNi<sub>0.5sub>Mn>1.5sub>O>4sub> into which Li ions are reversibly intercalated plays a critical role in the above issues, performance degradation related to structural changes, particularly in the first cycle, are not fully understood. Here, we report detailed investigations of local atomic-level and average structure of LiNi<sub>0.5sub>Mn>1.5sub>O>4sub> during first cycle (3.5–4.9 V) at room temperature. We observed two types of local atomic-level migration of transition metals (TM) ions in the cathode of a well-prepared LiNi<sub>0.5sub>Mn>1.5sub>O>4sub>//Li half-cell during first charge via an aberration-corrected scanning transmission electron microscopy (STEM). Surface regions (~2 nm) of the cycled LiNi<sub>0.5sub>Mn>1.5sub>O>4sub> particles show migration of TM ions into tetrahedral Li sites to form a Mn<sub>3sub>O>4sub>-like structure. However, subsurface regions of the cycled particles exhibit migration of TM ions into empty octahedral sites to form a rocksalt-like structure. The migration of these TM ions are closely related to dissolution of Ni/Mn ions and building-up of charge transfer impedance, which contribute significantly to the capacity degradation and the poor first-cycle Coulombic efficiency of spinel LiNi<sub>0.5sub>Mn>1.5sub>O>4sub> cathode material. Accordingly, we provide suggestions of effective stabilization of LiNi<sub>0.5sub>Mn>1.5sub>O>4sub> structure to obtain better electrochemical performance.

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

    SciTech Connect (OSTI)

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

    2012-03-15

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

  8. Epitaxial YBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}}/Sr{sub 2}RuO{sub 4} heterostructures

    SciTech Connect (OSTI)

    Schlom, D.G.; Merritt, B.A.; Madhavan, S. [Pennsylvania State Univ., University Park, PA (United States). Dept. of Materials Science and Engineering] [and others

    1997-09-01

    The anisotropic oxide superconductors YBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} and Sr{sub 2}RuO{sub 4} have been epitaxially combined in various ways (c-axis on c-axis, c-axis on a-axis, and a-axis on a-axis) though the use of appropriate substrates. Phase-pure a-axis oriented or c-axis oriented epitaxial Sr{sub 2}RuO{sub 4} films were grown by pulsed laser deposition. YBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} films were then grown on both orientations of Sr{sub 2}RuO{sub 4} films and the resulting epitaxy was characterized.

  9. Room temperature ferrimagnetism and ferroelectricity in strained, thin films of BiFe <sub>0.5sub> Mn <sub>0.5sub> O <sub>3sub>

    SciTech Connect (OSTI)

    Choi, Eun -Mi; Fix, Thomas; Kursumovic, Ahmed; Kinane, Christy J.; Arena, Darío; Sahonta, Suman -Lata; Bi, Zhenxing; Xiong, Jie; Yan, Li; Lee, Jun -Sik; Wang, Haiyan; Langridge, Sean; Kim, Young -Min; Borisevich, Albina Y.; MacLaren, Ian; Ramasse, Quentin M.; Blamire, Mark G.; Jia, Quanxi; MacManus-Driscoll, Judith L.

    2014-10-14

    Highly strained films of BiFe<sub>0.5sub>Mn>0.5sub>O? (BFMO) grown at very low rates by pulsed laser deposition were demonstrated to exhibit both ferrimagnetism and ferroelectricity at room temperature and above. Magnetisation measurements demonstrated ferrimagnetism (T<sub>C> ~ 600K), with a room temperature saturation moment (M<sub>S>) of up to 90 emu/cc (~ 0.58 ?<sub>B>/f.u) on high quality (001) SrTiO?. X-ray magnetic circular dichroism showed that the ferrimagnetism arose from antiferromagnetically coupled Feł? and Mnł?. While scanning transmission electron microscope studies showed there was no long range ordering of Fe and Mn, the magnetic properties were found to be strongly dependent on the strain state in the films. The magnetism is explained to arise from one of three possible mechanisms with Bi polarization playing a key role. A signature of room temperature ferroelectricity in the films was measured by piezoresponse force microscopy and was confirmed using angular dark field scanning transmission electron microscopy. The demonstration of strain induced, high temperature multiferroism is a promising development for future spintronic and memory applications at room temperature and above.

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

    SciTech Connect (OSTI)

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

    2014-07-28

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

  11. Neutron-scattering evidence for a periodically modulated superconducting phase in the underdoped cuprate La<sub>1.905sub>Ba>0.095sub>CuO>4sub>

    SciTech Connect (OSTI)

    Xu, Zhijun; Stock, C.; Chi, Songxue; Kolesnikov, A. I.; Xu, Guangyong I.; Gu, Genda; Tranquada, J. M.

    2014-10-01

    The role of antiferromagnetic spin correlations in high-temperature superconductors remains a matter of debate. We present inelastic neutron-scattering evidence that gapless spin fluctuations coexist with superconductivity in La<sub>1.905sub>Ba>0.095sub>CuO>4sub>. Furthermore, we observe that both the low-energy magnetic spectral weight and the spin incommensurability are enhanced with the onset of superconducting correlations. We propose that the coexistence occurs through intertwining of spatial modulations of the pair wave function and the antiferromagnetic correlations. This proposal is also directly relevant to sufficiently underdoped La<sub>2-xsub>SrxCuO>4sub> and YBa<sub>2sub>Cu>3sub>O>6+xsub>.

  12. Volatile Loss and Classification of Kuiper Belt Objects

    E-Print Network [OSTI]

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

    2015-01-01

    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...

  13. Volatile snowlines in embedded disks around low-mass protostars

    E-Print Network [OSTI]

    Harsono, Daniel; van Dishoeck, Ewine

    2015-01-01

    (Abridged*) Models of the young solar nebula assume a hot initial disk with most volatiles are in the gas phase. The question remains whether an actively accreting disk is warm enough to have gas-phase water up to 50 AU radius. No detailed studies have yet been performed on the extent of snowlines in an embedded accreting disk (Stage 0). Quantify the location of gas-phase volatiles in embedded actively accreting disk system. Two-dimensional physical and radiative transfer models have been used to calculate the temperature structure of embedded protostellar systems. Gas and ice abundances of H$_2$O, CO$_2$, and CO are calculated using the density-dependent thermal desorption formulation. The midplane water snowline increases from 3 to 55 AU for accretion rates through the disk onto the star between $10^{-9}$-$10^{-4} \\ M_{\\odot} \\ {\\rm yr^{-1}}$. CO$_2$ can remain in the solid phase within the disk for $\\dot{M} \\leq 10^{-5} \\ M_{\\odot} \\ {\\rm yr^{-1}}$ down to $\\sim 20$ AU. Most of the CO is in the gas phase w...

  14. 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; Lyapin, A A; Ryabochkina, P A; Chabushkin, A N

    2013-09-30

    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)

  15. [NH{sub 3}(CH{sub 2}){sub 2}NH{sub 3}][Co(SO{sub 4}){sub 2}(H{sub 2}O){sub 4}]: Chemical preparation, crystal structure, thermal decomposition and magnetic properties

    SciTech Connect (OSTI)

    Rekik, Walid; Naili, Houcine; Mhiri, Tahar [Laboratoire de l'Etat Solide, Departement de Chimie, Faculte des Sciences de Sfax, BP 802, 3018 Sfax (Tunisia); Bataille, Thierry [Sciences Chimiques de Rennes (CNRS, UMR 6226), Groupe Materiaux Inorganiques: Chimie Douce et Reactivite, Universite de Rennes I, Avenue du General Leclerc, 35042 Rennes Cedex (France)], E-mail: thierry.bataille@univ-rennes1.fr

    2008-10-02

    Cobalt ethylenediammonium bis(sulfate) tetrahydrate, [NH{sub 3}(CH{sub 2}){sub 2}NH{sub 3}][Co(SO{sub 4}){sub 2}(H{sub 2}O){sub 4}], has been synthesised by slow evaporation at room temperature. It crystallises in the triclinic system, space group P1-bar, with the unit cell parameters: a = 6.8033(2), b 7.0705(2), c = 7.2192(3) A, {alpha} = 74.909(2){sup o}, {beta} = 72.291(2){sup o}, {gamma} = 79.167(2){sup o}, Z = 1 and V = 317.16(2) A{sup 3}. The Co(II) atom is octahedrally coordinated by four water molecules and two sulfate tetrahedra leading to trimeric units [Co(SO{sub 4}){sub 2}(H{sub 2}O){sub 4}]. These units are linked to each other and to the ethylenediammonium cations through OW-H...O and N-H...O hydrogen bonds, respectively. The zero-dimensional structure is described as an alternation between cationic and anionic layers along the crystallographic b-axis. The dehydration of the precursor proceeds through three stages leading to crystalline intermediary hydrate phases and an anhydrous compound. The magnetic measurements show that the title compound is predominantly paramagnetic with weak antiferromagnetic interactions.

  16. Risk Management Based on Stochastic Volatility Ernst Eberlein, Jan Kallsen, Jrn Kristen

    E-Print Network [OSTI]

    Kallsen, Jan

    Risk Management Based on Stochastic Volatility Ernst Eberlein, Jan Kallsen, Jörn Kristen University of Freiburg Abstract Risk management approaches that do not incorporate randomly changing volatility tend (1995) can be applied quite easily for risk management purposes. Moreover, we compare their relative

  17. Available online at www.sciencedirect.com Metabolic engineering of plant volatiles

    E-Print Network [OSTI]

    Pichersky, Eran

    for plant improvement because of the great contribution of volatile secondary metabolites to reproduction organic compounds known as secondary or specialized metabolites [1]. More than 1% of these metabolitesAvailable online at www.sciencedirect.com Metabolic engineering of plant volatiles Natalia Dudareva

  18. LETTER Volatile communication between plants that affects herbivory: a meta-analysis

    E-Print Network [OSTI]

    Ishida, Yuko

    LETTER Volatile communication between plants that affects herbivory: a meta-analysis Richard Karban,1 * Louie H. Yang,1 and Kyle F. Edwards2 Abstract Volatile communication between plants causing of habitat and plant growth form were undetectable. In most cases, the mechanisms of resistance

  19. House Flies andPigManureVolatiles: Wind TunnelBehavioral Studiesand

    E-Print Network [OSTI]

    House Flies andPigManureVolatiles: Wind TunnelBehavioral Studiesand Electrophysiological pig manure were identified as electrophysiologically active on virgin female house fly (Muscadomstica of standards, and wind tunnel behavioral studies The pig manure volatiles eliciting responses from female

  20. RECONSTRUCTING THE UNKNOWN LOCAL VOLATILITY FUNCTION THOMAS F. COLEMAN, YUYING LI, AND ARUN VERMA

    E-Print Network [OSTI]

    Li, Yuying

    Abstract. Using market European option prices, a method for computing a smooth local volatility function, and pricing exotic options. A spline functional approach is used: the local volatility function is represented. Accuracy of pricing and hedging is also illustrated. Moreover, it is demonstrated that, using different

  1. Determining the Volatility of Ultrafine (UF) PM Emissions from CNG Vehicles

    E-Print Network [OSTI]

    Determining the Volatility of Ultrafine (UF) PM Emissions from CNG Vehicles Contract#: 500. Limited research has been done to characterize compressed natural gas (CNG) mass emissions and practically no work focused on the determination of the size- segregated volatility of UF particles from CNG engines

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

    E-Print Network [OSTI]

    Stanley, H. Eugene

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

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

    E-Print Network [OSTI]

    A comparison of option prices under different pricing measures in a stochastic volatility model option prices in an incomplete stochastic volatility model with correlation. In a general setting, we prove an ordering result which says that prices for European options with convex payoffs are decreasing

  4. Volatile organic acids and microbial processes in the Yegua formation, east-central Texas

    E-Print Network [OSTI]

    Grossman, Ethan L.

    , 1982). Volatile organic acids such as acetic, propionic, iso- butyric, n-butyric, iso-valeric, and n volatile organic acids (VOA) in the Yegua formation. Acetic and propionic acid concentrations in mudstones modeled to estimate acetic acid transport from aquitard to aquifer. Assuming that SRB completely respire

  5. Temperature dependence of volatile organic compound evaporative emissions from motor vehicles

    E-Print Network [OSTI]

    Goldstein, Allen

    Temperature dependence of volatile organic compound evaporative emissions from motor vehicles Juli tailpipe sources to motor vehicle volatile organic compound (VOC) emissions. Contributions were determined in a highway tunnel were used to define the composition of running vehicle emissions. The chemical mass balance

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

    SciTech Connect (OSTI)

    Wakeham, N.; Ni, Ni; Bauer, E. D.; Thompson, J. D.; Tegtmeier, E.; Ronning, F.

    2015-01-01

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

  7. Photoelectrocatalytic study of water oxidation at n-RuS{sub 2} electrodes

    SciTech Connect (OSTI)

    Salvador, P.; Alonso-Vante, N.; Tributsch, H.

    1998-01-01

    A kinetic study of the photocatalytic oxidation of water at a n-RuS{sub 2} semiconducting single crystal has been undertaken on the basis of photocurrent transients (photocurrent-time behavior as a function of the polarization potential, illumination intensity, and temperature) and electrolyte electroreflectance experiments. The main factor defining the catalytic activity of RuS{sub 2} for water oxidation, both in the dark and under illumination, is a low overpotential ({eta} {approx} 0.3 V), which is comparable to that of the RuO{sub 2} catalyst for oxygen evolution at darkness. Evidence has been given that {eta} is determined by the E{sup o}(Ru{sub s}-OH{sup 0}/Ru{sub s}-H{sub 2}O) redox potential, which strongly depends on the bonding energy of Ru surface species with OH{sup o} radicals generated by direct oxidation of adsorbed water molecules (interfacial Ru-peroxo-type complex formation). This bonding energy increases as the RuS{sub 2} surface becomes oxidized under anodic polarization and reaches its maximum value at the potential of the S{sub 2}RuO{sub 2}/RuS{sub 2} transition (VIII Ru oxidation state). Further oxidation of the Ru-peroxo-type complexes leads to oxygen evolution at a rate which increases with the degree of oxidation of the Ru surface active centers. Although O{sub 2} evolution probably already takes place on Ru(VI) surface sites, high evolution rates (current densities) are only reached under oxidation state VIII. However, in this state (idealized S{sub 2}Ru(VIII)O{sub 2}) Ru-S surface bonds are weakened and occasionally broken, contributing to RuS{sub 2} dissolution with generation of volatile RuO{sub 4} and SO{sub 4}{sup 2{minus}} soluble ions as the main corrosion products. This phenomenon may be attributed to the reaction in acidic medium of H{sub 2}O molecules with Ru(VIII) surface species, giving rise to the formation of unstable intermediate complexes.

  8. 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.

    2003-10-07

    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.

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

    E-Print Network [OSTI]

    Herce, Miguel Angel

    2006-01-01

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

  10. Interaction, grammar, and stance in reported speech

    E-Print Network [OSTI]

    Kim, Sangbok

    2012-01-01

    58 Bok: [HH [H 59 Mee: [hhh= 51 Hye: 52 Bok: HH. ?? ???? ??.58 Bok: [HH [H 59 Mee: [hhh= 51 Hye: 52 Bok: HH. ?? ???? ??.hh 58 Bok: [HH [H 59 Mee: [hhh= focused turn 51 Hye: 52 Bok:

  11. Oxygen trapped by rare earth tetrahedral clusters in Nd<sub>4sub>FeOS>6sub>: Crystal structure, electronic structure, and magnetic properties

    SciTech Connect (OSTI)

    Lin, Qisheng; Taufour, Valentin; Zhang, Yuemei; Wood, Max; Drtina, Thomas; Bud’ko, Sergey L.; Canfield, Paul C.; Miller, Gordon J.

    2015-05-22

    Single crystals of Nd<sub>4sub>FeOS>6sub> were grown from an Fe-S eutectic solution. Single crystal X-ray diffraction analysis revealed a Nd<sub>4sub>MnOSe>6sub>-type structure (P6<sub>3sub>mc, a = 9.2693(1) Ĺ, c = 6.6650(1) Ĺ, V = 495.94(1) Ĺ3, Z = 2), featuring parallel chains of face-sharing [FeS<sub>6x1/2sub>]4- trigonal antiprisms and interlinked [Nd<sub>4sub>OS>3sub>]4+ cubane-like clusters. Oxygen atoms were found to be trapped by Nd4 clusters in the [Nd4OS3]4+ chains. Structural differences among Nd<sub>4sub>MnOSe>6sub>-type Nd<sub>4sub>FeOS>6sub> and the related La<sub>3sub>CuSiS>7sub>- and Pr<sub>8sub>CoGa>3sub>-type structures have been described. Magnetic susceptibility measurements on Nd<sub>4sub>FeOS>6sub> suggested the dominance of antiferromagnetic interactions at low temperature, but no magnetic ordering down to 2 K was observed. Spin-polarized electronic structure calculations revealed magnetic frustration with dominant antiferromagnetic interactions.

  12. Standard test method for total mass loss and collected volatile condensable materials from outgassing in a vacuum environment

    E-Print Network [OSTI]

    American Society for Testing and Materials. Philadelphia

    2007-01-01

    Standard test method for total mass loss and collected volatile condensable materials from outgassing in a vacuum environment

  13. Airborne flux measurements of methane and volatile organic compounds over the Haynesville and Marcellus shale gas production regions

    E-Print Network [OSTI]

    2015-01-01

    natural gas extraction can lead to signi?cant emissions of methane (CH 4 ), volatile organic compounds (VOCs), and nitrogen

  14. Synthesis, crystal structure and thermal behavior of two hydrated forms of lanthanide phthalates Ln{sub 2}(O{sub 2}+C{sub 6}H{sub 4}-CO{sub 2}){sub 3}(H{sub 2}O) (Ln=Ce, Nd) and Nd{sub 2}(O{sub 2}C-C{sub 6}H{sub 4}-CO{sub 2}){sub 3}(H{sub 2}O){sub 3}

    SciTech Connect (OSTI)

    Pizon, David; Henry, Natacha; Loiseau, Thierry; Roussel, Pascal; Abraham, Francis

    2010-09-15

    New hydrated lanthanide phthalates have been hydrothermally prepared with cerium and neodymium in different reaction media involving water or mixed water-ethanol solvent. The monohydrated Ln{sub 2}(1,2-bdc){sub 3}(H{sub 2}O) (Ln=Ce or Nd) and dihydrated Nd{sub 2}(1,2-bdc){sub 3}(H{sub 2}O){sub 2} forms have been characterized by single-crystal analysis. Their structures consist of infinite inorganic chains of lanthanide-centered polyhedra linked to each other through the phthalate ligands in order to generate mixed organic-inorganic layered structure. The two hydrated structures differ by the number of terminal water species attached to the lanthanide cations, which induce symmetry change from a triclinic (Nd{sub 2}(1,2-bdc){sub 3}(H{sub 2}O){sub 2}) to an orthorhombic (Nd{sub 2}(1,2-bdc){sub 3}(H{sub 2}O){sub 2}) cell for neodymium whereas the cerium-based phase only exists in the monohydrated form, with two distinct symmetries (orthorhombic or triclinic). Structural comparisons with the other members of the lanthanide phthalate series with identical chemical formula are also discussed. Thermal X-ray diffraction experiment indicates that the transformation from dihydrate form into the monohydrated form does not occur during a heating process. - Graphical abstract: New members of the chain-like structures of neodymium phthalates with different hydration states Nd{sub 2}(1,2-bdc){sub 3}(H{sub 2}O){sub x} (x=1 or 2, 1-2bdc=phthalate group) and comparison with cerium-based analogs.

  15. Structure–property relations of orthorhombic [(CH{sub 3}){sub 3}NCH{sub 2}COO]{sub 2}(CuCl{sub 2}){sub 3}·2H{sub 2}O

    SciTech Connect (OSTI)

    Haussühl, Eiken; Schreuer, Jürgen; Wiehl, Leonore; Paulsen, Natalia

    2014-04-01

    Large single crystals of orthorhombic [(CH{sub 3}){sub 3}NCH{sub 2}COO]{sub 2}(CuCl{sub 2}){sub 3}·2H{sub 2}O with dimensions up to 40×40×30 mm{sup 3} were grown from aqueous solutions. The elastic and piezoelastic coefficients were derived from ultrasonic resonance frequencies and their shifts upon variation of pressure, respectively, using the plate-resonance technique. Additionally, the coefficients of thermal expansion were determined between 95 K and 305 K by dilatometry. The elastic behaviour at ambient conditions is dominated by the 2-dimensional network of strong hydrogen bonds within the (001) plane leading to a corresponding pseudo-tetragonal anisotropy of the longitudinal elastic stiffness. The variation of elastic properties with pressure, however, as well as the thermal expansion shows strong deviations from the pseudo-tetragonal symmetry. These deviations are probably correlated with tilts of the elongated tri-nuclear betaine–CuCl{sub 2}–water complexes. Neither the thermal expansion nor the specific heat capacity gives any hint on a phase transition in the investigated temperature range. - Graphical abstract: Single crystal of orthorhombic [(CH{sub 3}){sub 3}NCH{sub 2}COO]{sub 2}(CuCl{sub 2}){sub 3}·2H{sub 2}O. - Highlights: • Large single crystals (40 ×40 ×30 mm{sup 3}) of [(CH{sub 3}){sub 3}NCH{sub 2}COO]{sub 2}(CuCl{sub 2}){sub 3}·2H{sub 2}O were grown. • The elastic and piezoelastic coefficients were derived from ultrasonic resonance frequencies. • Thermal expansion (95 K–305 K) and heat capacity (113 K–323 K) were determined. • The orthorhombic structure shows pseudo-tetragonal elastic anisotropy at ambient conditions. • The crystal structure is stable in the investigated range (1–1600 bar, 95–303 K)

  16. In-Situ Contained And Of Volatile Soil Contaminants

    DOE Patents [OSTI]

    Varvel, Mark Darrell (Idaho Falls, ID)

    2005-12-27

    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.

  17. Apparatus for sensing volatile organic chemicals in fluids

    DOE Patents [OSTI]

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

    2005-06-07

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

  18. Volatility return intervals analysis of the Japanese market

    E-Print Network [OSTI]

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

    2007-01-01

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

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

    DOE Patents [OSTI]

    Varvel, Mark Darrell

    2005-12-27

    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.

  20. 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.

    2013-11-13

    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.

  1. A Big Data Approach to Analyzing Market Volatility

    SciTech Connect (OSTI)

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

    2013-06-05

    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.

  2. Bio-corrosion and cytotoxicity studies on novel Zr<sub>55sub>Co>30sub>Ti>15sub> and Cu<sub>60sub>Zr>20sub>Ti>20sub> metallic glasses

    SciTech Connect (OSTI)

    Vincent, S.; Daiwile, A.; Devi, S. S.; Kramer, M. J.; Besser, M. F.; Murty, B. S.; Bhatt, Jatin

    2014-09-26

    Metallic glasses are a potential and compatible implant candidate for biomedical applications. In the present investigation, a comparative study between novel Zr<sub>55sub>Co>30sub>Ti>15sub> and Cu<sub>60sub>Zr>20sub>Ti>20sub> metallic glasses is carried out to evaluate in vitro biocompatibility using simulated body fluids. The bio-corrosion behavior of Zr- and Cu-based metallic glasses in different types of artificial body fluids such as artificial saliva solution, phosphate-buffered saline solution, artificial blood plasma solution, and Hank’s balanced saline solution is evaluated using potentiodynamic polarization studies at a constant body temperature of 310.15 K (37 °C). Surface morphology of samples after bio-corrosion experiments was observed by scanning electron microscopy. In vitro cytotoxicity test on glassy alloys were performed using human osteosarcoma cell line as per 10993-5 guidelines from International Organization for Standardization. As a result, the comparative study between Zr- and Cu-based glassy alloys provides vital information about the effect of elemental composition on biocompatibility of metallic glasses.

  3. Fundamental Understanding of Methane-Carbon Dioxide-Water (CH<sub>4sub>-CO>2sub>-H>2sub>O) Interactions in Shale Nanopores under Reservoir Conditions. Quarterly Report.

    SciTech Connect (OSTI)

    Wang, Yifeng

    2015-10-27

    This project focuses on the systematic study of CH<sub>4sub>-CO>2sub>-H>2sub>O interactions in shale nanopores under high-pressure and high temperature reservoir conditions. The proposed work will help to develop new stimulation strategies to enable efficient resource recovery from fewer and less environmentally impactful wells.

  4. Dimethyl sulfide substituted mixed-metal clusters: Synthesis, structure, and characterization of HRuCo sub 3 (CO) sub 11 (SMe sub 2 ) and (HRuRh sub 3 (CO) sub 9 ) sub 2 (SMe sub 2 ) sub 3

    SciTech Connect (OSTI)

    Rossi, S.; Pursianinen, J.; Ahlgren, M.; Pakkanen, T.A. (Univ. of Joensuu (Finland))

    1990-02-01

    Ligand substitution reactions of dimethyl sulfide with mixed-metal clusters are described. The clusters HRuCo{sub 3}(CO){sub 11}(SMe{sub 2}) (1) and (HRuRh{sub 3}(CO){sub 9}){sub 2}(SMe{sub 2}){sub 3} (2) have been prepared by reactions of SMe{sub 2} with the neutral parent clusters. Their crystal structures have been established: 1, monoclinic, space group P2{sub 1}/n, a = 11.459 (5) {angstrom}, b = 12.484 (4) {angstrom}, c = 14.384 (4) {angstrom}, {beta} = 96.40 (3){degree}, Z = 4; 2, trigonal, space group R3c, a = 13.181 (7) {angstrom}, {alpha} = 75.54 (5){degree}, Z = 2. Dimethyl sulfide coordinates terminally as a two-electron donor on basal cobalt in 1 and as a bridging four-electron donor causing unusual dimerization of clusters in 2. The carbonyl arrangement of the parent clusters was not changed during the ligand substitution, and hydride ligands bridge the three basal metals in both compounds.

  5. Interfacial dislocations in (111) oriented (Ba<sub>0.7sub>Sr>0.3sub>)TiO>3sub> films on SrTiO<sub>3sub> single crystal

    SciTech Connect (OSTI)

    Shen, Xuan; Yamada, Tomoaki; Lin, Ruoqian; Kamo, Takafumi; Funakubo, Hiroshi; Wu, Di; Xin, Huolin L.; Su, Dong

    2015-10-08

    In this study, we have investigated the interfacial structure of epitaxial (Ba,Sr)TiO<sub>3sub> films grown on (111)-oriented SrTiO<sub>3sub> single-crystal substrates using transmission electron microscopy (TEM) techniques. Compared with the (100) epitaxial perovskite films, we observe dominant dislocation half-loop with Burgers vectors of a<110> comprised of a misfit dislocation along <112>, and threading dislocations along <110> or <100>. The misfit dislocation with Burgers vector of a <110> can dissociate into two ˝ a <110> partial dislocations and one stacking fault. We found the dislocation reactions occur not only between misfit dislocations, but also between threading dislocations. Via three-dimensional electron tomography, we retrieved the configurations of the threading dislocation reactions. The reactions between threading dislocations lead to a more efficient strain relaxation than do the misfit dislocations alone in the near-interface region of the (111)-oriented (Ba<sub>0.7sub>Sr>0.3sub>)TiO>3sub> films.

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

    SciTech Connect (OSTI)

    Masud, Jahangir; Nguyena, Trung V.; Singh, Nirala; McFarland, Eric; Ikenberry, Myles; Hohn, Keith; Pan, Chun-Jern; Hwang, Bing-Joe

    2015-01-01

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

  7. Transfer between the cesium 6 {sup 2}P{sub 1/2} and 6 {sup 2}P{sub 3/2} levels induced by collisions with H{sub 2}, HD, D{sub 2}, CH{sub 4}, C{sub 2}H{sub 6}, CF{sub 4}, and C{sub 2}F{sub 6}

    SciTech Connect (OSTI)

    Pitz, Greg A.; Fox, Charles D.; Perram, Glen P.

    2011-09-15

    The cross sections of spin-orbit energy exchange between the cesium 6 {sup 2}P{sub 1/2}{r_reversible}6 {sup 2}P{sub 3/2} states induced by collisions with N{sub 2}, H{sub 2}, HD, D{sub 2}, CH{sub 4}, C{sub 2}H{sub 6}, CF{sub 4}, and C{sub 2}F{sub 6} were obtained for pressures less than 100 Torr at room temperature by means of steady-state laser-induced fluorescence techniques. The spin-orbit energy exchange rate with N{sub 2}, H{sub 2}, HD, D{sub 2}, CH{sub 4}, C{sub 2}H{sub 6}, CF{sub 4}, and C{sub 2}F{sub 6}, have been measured as {sigma}{sub 21}(6 {sup 2}P{sub 3/2}{yields}6 {sup 2}P{sub 1/2})= 16.3, 34.1, 30.0, 22.7, 21.4, 65.6, 64.8, and 137 A{sup 2} and {sigma}{sub 12}(6 {sup 2}P{sub 1/2}{yields}6 {sup 2}P{sub 3/2})= 1.8, 4.4, 4.1, 3.0, 2.9, 13.3, 9.7, and 16.3 A{sup 2}, respectively. Correlations of the spin-orbit transfer probabilities with rotational-energy defect and vibrational-energy defect have been shown.

  8. Synthesis and crystal structure of the palladium oxides NaPd{sub 3}O{sub 4}, Na{sub 2}PdO{sub 3} and K{sub 3}Pd{sub 2}O{sub 4}

    SciTech Connect (OSTI)

    Panin, Rodion V. [Department of Chemistry, Moscow State University, 119992, Moscow (Russian Federation)], E-mail: panin@icr.chem.msu.ru; Khasanova, Nellie R. [Department of Chemistry, Moscow State University, 119992, Moscow (Russian Federation); Abakumov, Artem M. [Department of Chemistry, Moscow State University, 119992, Moscow (Russian Federation); Antipov, Evgeny V. [Department of Chemistry, Moscow State University, 119992, Moscow (Russian Federation); Tendeloo, Gustaaf van [EMAT University of Antwerp (RUCA), Groenenborgerlaan 171, B-2020 Antwerp (Belgium); Schnelle, Walter [Max-Planck Institute for Chemical Physics of Solids, Noethnitzer Street 40, 01187 Dresden (Germany)

    2007-05-15

    NaPd{sub 3}O{sub 4}, Na{sub 2}PdO{sub 3} and K{sub 3}Pd{sub 2}O{sub 4} have been prepared by solid-state reaction of Na{sub 2}O{sub 2} or KO{sub 2} and PdO in sealed silica tubes. Crystal structures of the synthesized phases were refined by the Rietveld method from X-ray powder diffraction data. NaPd{sub 3}O{sub 4} (space group Pm3-barn, a=5.64979(6) A, Z=2) is isostructural to NaPt{sub 3}O{sub 4}. It consists of NaO{sub 8} cubes and PdO{sub 4} squares, corner linked into a three-dimensional framework where the planes of neighboring PdO{sub 4} squares are perpendicular to each other. Na{sub 2}PdO{sub 3} (space group C2/c, a=5.3857(1) A, b=9.3297(1) A, c=10.8136(2) A, {beta}=99.437(2){sup o}, Z=8) belongs to the Li{sub 2}RuO{sub 3}-structure type, being the layered variant of the NaCl structure, where the layers of octahedral interstices filled with Na{sup +} and Pd{sup 4+} cations alternate with Na{sub 3} layers along the c-axis. Na{sub 2}PdO{sub 3} exhibits a stacking disorder, detected by electron diffraction and Rietveld refinement. K{sub 3}Pd{sub 2}O{sub 4}, prepared for the first time, crystallizes in the orthorhombic space group Cmcm (a=6.1751(6) A, b=9.1772(12) A, c=11.3402(12) A, Z=4). Its structure is composed of planar PdO{sub 4} units connected via common edges to form parallel staggered PdO{sub 2} strips, where potassium atoms are located between them. Magnetic susceptibility measurements of K{sub 3}Pd{sub 2}O{sub 4} reveal a Curie-Weiss behavior in the temperature range above 80 K. - Graphical abstract: Na{sub 2}PdO{sub 3} (space group C2/c, a=5.3857(1) A, b=9.3297(1) A, c=10.8136(2) A, {beta}=99.437(2), Z=8) belongs to the Li{sub 2}RuO{sub 3}-structure type, being the layered variant of the NaCl structure, where the layers of octahedral interstices filled with Na{sup +} and Pd{sup 4+} cations (NaPd{sub 2}O{sub 6} slabs) alternate with Na{sub 3} layers along the c-axis.

  9. Facile synthesis of Ba<sub>1-xsub>Kx>Fe?As? superconductors via hydride route

    SciTech Connect (OSTI)

    Zaikina, Julia V. [Univ. of California at Davis, Davis, CA (United States); Batuk, Maria [Univ. of Antwerp, Antwerp (Belgium); Abakumov, Artem M. [Univ. of Antwerp, Antwerp (Belgium); Navrotsky, Alexandra [Univ. of California at Davis, Davis, CA (United States); Kauzlarich, Susan M. [Univ. of California at Davis, Davis, CA (United States)

    2014-12-03

    We have developed a fast, easy, and scalable synthesis method for Ba<sub>1-xsub>Kx>Fe?As? (0 ? x ? 1) superconductors using hydrides BaH? and KH as a source of barium and potassium metals. Synthesis from hydrides provides better mixing and easier handling of the starting materials, consequently leading to faster reactions and/or lower synthesis temperatures. The reducing atmosphere provided by the evolved hydrogen facilitates preparation of oxygen-free powders. By a combination of methods we have shown that Ba<sub>1-xsub>Kx>Fe?As? obtained via hydride route has the same characteristics as when it is prepared by traditional solid-state synthesis. Refinement from synchrotron powder X-ray diffraction data confirms a linear dependence of unit cell parameters upon K content as well as the tetragonal to orthorhombic transition at low temperatures for compositions with x < 0.2. Magnetic measurements revealed dome-like dependence of superconducting transition temperature T<sub>c> upon K content with a maximum of 38 K for x close to 0.4. Electron diffraction and high-resolution high-angle annular dark-field scanning transmission electron microscopy indicates an absence of Ba/K ordering, while local inhomogeneity in the Ba/K distribution takes place at a scale of several angstroms along [110] crystallographic direction.

  10. 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

    2012-01-01

    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.

  11. Magnetic domain structure and domain-wall energy in UFe{sub 8}Ni{sub 2}Si{sub 2} and UFe{sub 6}Ni{sub 4}Si{sub 2} intermetallic compounds

    SciTech Connect (OSTI)

    Wyslocki, J.J.; Suski, W.; Wochowski, K.

    1994-03-01

    Magnetic domain structures in the UFe{sub 8}Ni{sub 2}Si{sub 2} and UFe{sub 6}Ni{sub 4}Si{sub 2} compounds were studied using the powder pattern method. The domain structure observed is typical for uniaxial materials. The domain-wall energy density {gamma} was determined from the average surface domain width D{sub s} observed on surfaces perpendicular to the easy axis as equal to 16 erg/cm{sup 2} for UFe{sub 8}Ni{sub 2}Si{sub 2} and 10 erg/cm{sup 2} for UFe{sub 6}Ni{sub 4}Si{sub 2}. Moreover, the critical diameter for single domain particle D{sub c} was calculated for the studied compounds.

  12. Crystal structure and physical properties of quaternary clathrates Ba{sub 8}Zn{sub x}Ge{sub 46-x-y}Si{sub y}, Ba{sub 8}(Zn,Cu){sub x}Ge{sub 46-x} and Ba{sub 8}(Zn,Pd){sub x}Ge{sub 46-x}

    SciTech Connect (OSTI)

    Nasir, Navida; Grytsiv, Andriy; Melnychenko-Koblyuk, Nataliya [Institute of Physical Chemistry, University of Vienna, A-1090 Wien (Austria); Rogl, Peter, E-mail: peter.franz.rogl@univie.ac.a [Institute of Physical Chemistry, University of Vienna, A-1090 Wien (Austria); Bednar, Ingeborg; Bauer, Ernst [Institute of Solid State Physics, Vienna University of Technology, A-1040 Wien (Austria)

    2010-10-15

    Three series of vacancy-free quaternary clathrates of type I, Ba{sub 8}Zn{sub x}Ge{sub 46-x-y}Si{sub y}, Ba{sub 8}(Zn,Cu){sub x}Ge{sub 46-x}, and Ba{sub 8}(Zn,Pd){sub x}Ge{sub 46-x}, have been prepared by reactions of elemental ingots in vacuum sealed quartz at 800 {sup o}C. In all cases cubic primitive symmetry (space group Pm3n, a{approx}1.1 nm) was confirmed for the clathrate phase by X-ray powder diffraction and X-ray single crystal analyses. The lattice parameters show a linear increase with increase in Ge for Ba{sub 8}Zn{sub x}Ge{sub 46-x-y}Si{sub y}. M atoms (Zn, Pd, Cu) preferably occupy the 6d site in random mixtures. No defects were observed for the 6d site. Site preference of Ge and Si in Ba{sub 8}Zn{sub x}Ge{sub 46-x-y}Si{sub y} has been elucidated from X-ray refinement: Ge atoms linearly substitute Si in the 24k site whilst a significant deviation from linearity is observed for occupation of the 16i site. A connectivity scheme for the phase equilibria in the 'Ba{sub 8}Ge{sub 46}' corner at 800 {sup o}C has been derived and a three-dimensional isothermal section at 800 {sup o}C is presented for the Ba-Pd-Zn-Ge system. Studies of transport properties carried out for Ba{sub 8{l_brace}}Cu,Pd,Zn{r_brace}{sub x}Ge{sub 46-x} and Ba{sub 8}Zn{sub x}Si{sub y}Ge{sub 46-x-y} evidenced predominantly electrons as charge carriers and the closeness of the systems to a metal-to-insulator transition, fine-tuned by substitution and mechanical processing of starting material Ba{sub 8}Ge{sub 43}. A promising figure of merit, ZT {approx}0.45 at 750 K, has been derived for Ba{sub 8}Zn{sub 7.4}Ge{sub 19.8}Si{sub 18.8}, where pricey germanium is exchanged by reasonably cheap silicon. - Graphical abstract: Quaternary phase diagram of Ba-Pd-Zn-Ge system at 800 {sup o}C.

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

    SciTech Connect (OSTI)

    Leng, Xiang; Bozovic, Ivan

    2014-11-21

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

  14. Sub-micron filter

    DOE Patents [OSTI]

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

    2009-10-13

    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.

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

    SciTech Connect (OSTI)

    Xia, M.J.; Li, R.K.

    2013-01-15

    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}.

  16. Ordered structures in YBa/sub 2/Cu/sub 3/O/sub 7-y/, La/sub 2-x/Sr/sub x/CuO/sub 4-par. delta/ and related perovskites

    SciTech Connect (OSTI)

    Mitchell, T.E.; Roy, T.; Fisk, Z.; Smith, J.L.

    1988-01-01

    Electron microscopy and electron diffraction studies have been performed on the superconducting oxides YBa/sub 2/Cu/sub 3/O/sub 7-y/, GdBa/sub 2/Cu/sub 3/O/sub 7-y/ and La/sub 2-x/Sr/sub x/CuO/sub 4-par. delta/ as well as the related perovskites La/sub 2/CuO/sub 4/, Eu/sub 2/CuO/sub 4/ and Gd/sub 2/CuO/sub 4/. Extra reflections are commonly observed in all the cases. For example, in the 123 compounds, in situ heating leads to transformations from orthorhombic to tetragonal with a loss of twin structure; on cooling the oxygen vacancies re-order in the basal plane to give 1/3(100)* or 1/4(110)* diffraction spots. In tetragonal Eu/sub 2/CuO/sub 4/ and Gd/sub 2/CuO/sub 4/, the (001) diffraction patterns often have extra spots at 1/2(110)* or at 1/4(110)* positions. Extra spots are also observed in La/sub 2/CuO/sub 4/ (orthorhombic) but this is probably due to the space group being primitive rather than centered. These observations are discussed in terms of the ordering of oxygen vacancies in the Cu-O planes of the various perovskite structures. 6 figs.

  17. Volatile organic acids and microbial processes in the Yegua formation, east-central Texas 

    E-Print Network [OSTI]

    Routh, J.; Grossman, E. L.; Ulrich, G. A.; Suflita, J. M.

    2000-01-01

    Geochemical and microbiological evidence indicates that viable microorganisms produce and consume volatile organic acids (VOA) in the Yegua formation. Acetic and propionic acid concentrations in mudstones range from 200 ...

  18. Understanding the Impact of Emerging Non-Volatile Memories on High-Performance,

    E-Print Network [OSTI]

    Gupta, Rajesh

    practical solution, but it is expensive and energy-intensive. Non-volatile, solid-state storage technologies to advanced phase-change memories attached to a DDR3 memory bus. We evaluate the impact of these technologies

  19. Exploring volatile fatty acids (VFAs) as a novel substrate for microbial oil production

    E-Print Network [OSTI]

    Chakraborty, Sagar, Ph. D. Massachusetts Institute of Technology

    2015-01-01

    Cost effective production of biofuels depends critically on feedstock cost and availability. As such, volatile fatty acids (VFAs) can play an important role in advancing sustainable biofuel production since they can be ...

  20. 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)

    2010-01-01

    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 ...

  1. 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 ...

  2. 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 ...

  3. Comparative forecasting performance of symmetric and asymmetric conditional volatility models of an exchange rate. 

    E-Print Network [OSTI]

    Balaban, Ercan

    2002-01-01

    The relative out-of-sample forecasting quality of symmetric and asymmetric conditional volatility models of an exchange rate differs according to the symmetric and asymmetric evaluation criteria as well as a regression-based ...

  4. Natural formation and degradation of chloroacetic acids and volatile organochlorines in forest soil: challenges to understanding 

    E-Print Network [OSTI]

    Laturnus, Frank; Fahimi, Isabelle; Gryndler, Milan; Hartmann, Anton; Heal, Mathew R; Matucha, Miroslav; Schoeler, Heinfried; Schroll, Reiner; Svensson, Teresia

    2005-01-01

    Goal, Scope and Background. The anthropogenic environmental emissions of chloroacetic acids and volatile organochlorines have been under scrutiny in recent years because the two compound groups are suspected to contribute ...

  5. Method and apparatus for regenerating activated carbon containing an adsorbed volatile organic absorbate

    SciTech Connect (OSTI)

    Tiggelbeck, D.D.; Goyak, G.M.

    1993-07-27

    A method is described for regenerating spent activated carbon containing adsorbed volatile organic adsorbate comprising: establishing a confined downwardly moving bed of activated carbon; adding spent carbon to the top of said bed; introducing superheated steam into the bottom of said bed in contact with said carbon; recovering exit gas including predominantly superheated steam and volatilized adsorbate from the top of said bed; circulating a portion of said exit gas through a superheater and compressor to the bottom of said bed; withdrawing a portion of said exit gas through a cooler to condense steam and volatile adsorbate; continuously circulating superheated steam in a closed loop through said downwardly moving bed, said compressor and said superheater; recovering partially regenerated activated carbon containing residual volatile adsorbate from the bottom of said bed.

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

    SciTech Connect (OSTI)

    Scott, E.J.

    1989-01-01

    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.

  7. Volatile depletion in the TW Hydrae disk atmosphere

    E-Print Network [OSTI]

    Du, Fujun; Hogerheijde, Michiel R

    2015-01-01

    An abundance decrease in carbon- and oxygen-bearing species relative to dust has been frequently found in planet-forming disks, which can be attributed to an overall reduction of gas mass. However, in the case of TW Hya, the only disk with gas mass measured directly with HD rotational lines, the inferred gas mass ($\\lesssim$0.005 solar mass) is significantly below the directly measured value ($\\gtrsim$0.05 solar mass). We show that this apparent conflict can be resolved if the elemental abundances of carbon and oxygen are reduced in the upper layers of the outer disk but are normal elsewhere (except for a possible enhancement of their abundances in the inner disk). The implication is that in the outer disk, the main reservoir of the volatiles (CO, water, ...) resides close to the midplane, locked up inside solid bodies that are too heavy to be transported back to the atmosphere by turbulence. An enhancement in the carbon and oxygen abundances in the inner disk can be caused by inward migration of these solid ...

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

    SciTech Connect (OSTI)

    Not Available

    1992-03-01

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

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

    SciTech Connect (OSTI)

    Pandey, Abhishek; Quirinale, D. G.; Jayasekara, W.; Sapkota, A.; Kim, M. G.; Dhaka, R. S.; Lee, Y.; Heitmann, T. W.; Stephens, P. W.; Ogloblichev, V.; Kreyssig, A.; McQueeney, R. J.; Goldman, A. I.; Kaminski, Adam; Harmon, B. N.; Furukawa, Y.; Johnston, D. C.

    2013-07-01

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

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

    SciTech Connect (OSTI)

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

    2012-06-01

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

  11. In Situ Foaming of Porous (La <sub>0.6sub> Sr <sub>0.4sub> ) <sub>0.98sub> (Co <sub>0.2sub> Fe <sub>0.8sub> ) O <sub>3??sub> (LSCF) Cathodes for Solid Oxide Fuel Cell Applications

    SciTech Connect (OSTI)

    Gandavarapu, Sodith; Sabolsky, Edward; Sabolsky, Katarzyna; Gerdes, Kirk

    2015-01-01

    A binder system containing polyurethane precursors was used to in situ foam (direct foam) a (La{sub 0.6}Sr{sub 0.4}){sub 0.98} (Co{sub 0.2} Fe{sub 0.8}) O{sub 3-{#2;delta}} (LSCF) composition for solid oxide fuel cell (SOFC) cathode applications. The relation between in situ foaming parameters on the final microstructure and electrochemical properties was characterized by microscopy and electrochemical impedance spectroscopy (EIS), respectively. The optimal porous cathode architecture was formed with a 70 vol% solids loading within a polymer precursor composition with a volume ratio of 8:4:1 (isocyanate: PEG: surfactant) in a terpineol-based ink vehicle. The resultant microstructure displayed a broad pore size distribution with highly elongated pore structure.

  12. 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)

    2014-06-30

    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.

  13. 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))

    1992-01-01

    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.

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

    SciTech Connect (OSTI)

    Pilz, Thomas; Nuss, Hanne; Jansen, Martin

    2012-02-15

    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.

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

    E-Print Network [OSTI]

    Peters, Robert Edgar

    1972-01-01

    AMMONIA VOLATILIZATION AND NITROGEN TRANSFORMATIONS IN HIGH pH SOILS USED FOR BEEF MANURE DISPOSAL A Thesis by ROBERT EDGAR PETERS Submitted to the Graduate College of Texas A&M University in partial fulfillment of the requirement... for the degree of MASTER OF SCIENCE December 1972 Major Subject: Agricultural Engineering AMMONIA VOLATILIZATION AND NITROGEN TRANSFORMATIONS IN HIGH pH SOILS USED FOR BEEF MANURE DISPOSAL A Thesis by ROBERT EDGAR PETERS Approved as to style and content...

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

    E-Print Network [OSTI]

    Feagley, Sam Edward

    1976-01-01

    AMMONIA VOLATILIZATION FROM SURFACE APPLICATION OF AMMONIUM SULFATE TO CARBONATE SYSTEMS A Thesis by SAM EDWARD FEAGLEY Submitted to the Graduate College of Texas A&M University in partial fulfillment of the requirement for the degree... of MASTER OF SCIENCE August 1976 Major Subject; Soil Science AMMONIA VOLATILIZATION FROM SURFACE APPLICATIONS OF AMMONIUM SULFATE TO CARBONATE SYSTEMS A Thesis SAM EDWARD FEAGLEY Approved as to style and content by: Chairman of Committee Head of Dep...

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

    E-Print Network [OSTI]

    Ellis, Joseph Ralph, Jr

    1960-01-01

    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...

  18. Magnetic measurements on ??CS{sub 2}U{sub 4}O{sub 12}

    SciTech Connect (OSTI)

    Kanrar, Buddhadev Misra, N. L.; Sastry, P. U.; Dube, V.; Ravikumar, G.

    2014-04-24

    Magnetic and XRD measurements on ??CS{sub 2}U{sub 4}O{sub 12} having uranium in mixed valent states of U (V) and U (VI) have been made. The study reveals that the compound undergoes an antiferromagnetic transition below 25K and an anomalous magnetic behavior was seen around 75K. This anomalous behavior indicates towards a structural phase transition. However, the low temperature XRD could not confirm this observation.

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

    SciTech Connect (OSTI)

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

    2014-01-14

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

  20. 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

    2012-07-23

    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.

  1. SO.sub.2 sensor

    DOE Patents [OSTI]

    Dalla Betta, Ralph A. (Mountain View, CA); Sheridan, David R. (Menlo Park, CA)

    1994-01-01

    This invention is a process for detecting low concentration levels of sulfur oxides (SO.sub.2) in a flowing gas stream (typically a combustion exhaust gas stream) and a catalytic SO.sub.2 sensor system which may be used in that process.

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

    SciTech Connect (OSTI)

    Peng, Hongxia; Cui, Bin; Wang, Yingsai

    2013-05-15

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

  3. Dopant-Induced Nanoscale Electronic Inhomogeneities in Ca<sub>2-xsub>SrxRuO>4sub>

    SciTech Connect (OSTI)

    Zhang, Jiandi; Ismail, #; Moore, R. G.; Wang, S. -C.; Ding, H.; Jin, Rongying; Mandrus, David; Plummer, E Ward

    2006-01-01

    Ca{sub 2-x}Sr{sub x}RuO{sub 4} single crystals with 0.1 {le} x {le} 2.0 have been studied systematically using scanning tunneling microscopy (STM) and spectroscopy, low-energy electron diffraction, and angle resolved photoelectron spectroscopy (ARPES). In contrast with the well-ordered lattice structure, the local density of states at the surface clearly shows a strong doping dependent nanoscale electronic inhomogeneity, regardless of the fact of isovalent substitution. Remarkably, the surface electronic roughness measured by STM and the inverse spectral weight of quasiparticle states determined by ARPES are found to vary with x in the same manner as the bulk in-plane residual resistivity, following the Nordheim rule. For the first time, the surface measurements - especially those with STM - are shown to be in good agreement with the bulk transport results, all clearly indicating a doping-induced electronic disorder in the system.

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

    SciTech Connect (OSTI)

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

    2013-09-15

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

  5. 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 Muchharla, Baleeswaraiah; Dubenko, Igor; Talapatra, Saikat; Ali, Naushad; Samanta, Tapas; Stadler, Shane

    2014-05-07

    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.

  6. Investigating the reversibility of structural modifications of Li<sub>xsub>Ni<sub>yMnzCo>1-y-zsub>O? cathode materials during initial charge/discharge, at multiple length scales

    SciTech Connect (OSTI)

    Hwang, Sooyeon; Bak, Seong -Min; Kim, Seung Min; Chung, Kyung Yoon; Chang, Wonyoung

    2015-08-11

    In this work, we investigate the structural modifications occurring at the bulk, subsurface, and surface scales of Li<sub>xsub>Ni<sub>yMnzCo>1-y-zsub>O? (NMC; y, z = 0.8, 0.1 and 0.4, 0.3, respectively) cathode materials during the initial charge/discharge. Various analytical tools, such as X-ray diffraction, selected-area electron diffraction, electron energy-loss spectroscopy, and high-resolution electron microscopy, are used to examine the structural properties of the NMC cathode materials at the three different scales. Cut-off voltages of 4.3 and 4.8 V are applied during the electrochemical tests as the normal and extreme conditions, respectively. The high-Ni-content NMC cathode materials exhibit unusual behaviors, which is deviate from the general redox reactions during the charge or discharge. The transition metal (TM) ions in the high-Ni-content NMC cathode materials, which are mostly Ni ions, are reduced at 4.8 V, even though TMs are usually oxidized to maintain charge neutrality upon the removal of Li. It was found that any changes in the crystallographic and electronic structures are mostly reversible down to the sub-surface scale, despite the unexpected reduction of Ni ions. However, after the discharge, traces of the phase transitions remain at the edges of the NMC cathode materials at the scale of a few nanometers (i.e., surface scale). This study demonstrates that the structural modifications in NMC cathode materials are induced by charge as well as discharge at multiple length scales. These changes are nearly reversible after the first cycle, except at the edges of the samples, which should be avoided because these highly localized changes can initiate battery degradation.

  7. UFe/sub 4/P/sub 12/ and CeFe/sub 4/P/sub 12/: non-metallic isotypes of superconducting LaFe/sub 4/P/sub 12/

    SciTech Connect (OSTI)

    Meisner, G.P.; Torikachvili, M.S.; Yang, K.N.; Maple, M.B.; Guertin, R.P.

    1984-01-01

    The new compound UFe/sub 4/P/sub 12/, which was found to be isostructural to superconducting LaFe/sub 4/P/sub 12/ and with a lattive constant of 7.7729 A, is a semiconductor and shows ferromagnetic order below 3.15 K. CeFe/sub 4/P/sub 12/ is also a semiconductor and its magnetic susceptibility is unusually small in comparison to LaFe/sub 4/P/sub 12/. The semiconducting behaviors of both UFe/sub 4/P/sub 12/ and CeFe/sub 4/P/sub 12/ seem anomalous and may arise from strong f-electron hybridization.

  8. UFe/sub 4/P/sub 12/ and CeFe/sub 4/P/sub 12/: Nonmetallic isotypes of superconducting LaFe/sub 4/P/sub 12/

    SciTech Connect (OSTI)

    Meisner, G.P.; Torikachvili, M.S.; Yang, K.N.; Maple, M.B.; Guertin, R.P.

    1985-04-15

    The new compound UFe/sub 4/P/sub 12/, which was found to be isostructural to superconducting LaFe/sub 4/P/sub 12/ and have a lattice constant of 7.7729 A, is a semiconductor and shows ferromagnetic order below 3.15 K. CeFe/sub 4/P/sub 12/ is also a semiconductor, and its magnetic susceptibility is unusually small in comparison to LaFe/sub 4/P/sub 12/. The semiconducting behaviors of both UFe/sub 4/P/sub 12/ and CeFe/sub 4/P/sub 12/ seem anomalous and may arise from strong f-electron hybridization.

  9. 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; Kalaiselvi, N.

    2012-12-15

    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.

  10. -A 8cienco Service Feature Released on receipt

    E-Print Network [OSTI]

    a t ball lightning was the agglomeration of ponderable sub- stance i n a state of great tenuity, strongly

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

    SciTech Connect (OSTI)

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

    2013-10-15

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

  12. 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.

    2013-06-01

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

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

    SciTech Connect (OSTI)

    Thabet, Safa; Ayed, Brahim; Haddad, Amor

    2012-11-15

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

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

    SciTech Connect (OSTI)

    Maginn, Edward

    2012-09-30

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

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

    DOE Patents [OSTI]

    Damento, Michael A. (Ames, IA); Gschneidner, Jr., Karl A. (Ames, IA)

    1989-04-25

    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.

  16. 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.

    1989-04-25

    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.

  17. Phonon and magnon scattering of Bi{sub 2}Fe{sub 4}O{sub 9} ceramic

    SciTech Connect (OSTI)

    Sharma, Poorva E-mail: vdinesh33@rediffmail.com; Kumar, Ashwini E-mail: vdinesh33@rediffmail.com; Varshney, Dinesh E-mail: vdinesh33@rediffmail.com

    2014-04-24

    We report the phonon structure of Bi{sub 2}Fe{sub 4}O{sub 9} ceramics as synthesized by solid-state reaction route. Rietveld refined X-ray diffraction patterns confirmed the formation of single-phase perovskite structure and all the peaks of Bi{sub 2}Fe{sub 4}O{sub 9} perfectly indexed to the orthorhombic (space group Pbam). Raman scattering measurements identifies 12A{sub g}+1B{sub 2g}+1B{sub 3g} Raman active optical phonon modes. Apart from phonon scattering, mode at 470 cm{sup ?1} is observed which is due to magnon scattering. The P-E loop infers paraelectric nature of Bi{sub 2}Fe{sub 4}O{sub 9}.

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

    SciTech Connect (OSTI)

    Kokal, I.; Aydemir, U.; Prots, Yu.; Förster, T.; Sichelschmidt, J.; Yahyaoglu, M.; Auffermann, G.; Schnelle, W.; Schappacher, F.; Pöttgen, R.; Somer, M.

    2014-02-15

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

  19. 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)

    2014-05-07

    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), Mössbauer 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?Ĺ) than that of Ba{sup 2+} (1.43?Ĺ). The Mössbauer 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.

  20. Phase partitioning and volatility of secondary organic aerosol components formed from ?-pinene ozonolysis and OH oxidation: the importance of accretion products and other low volatility compounds

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Lopez-Hilfiker, F. D.; Mohr, C.; Ehn, M.; Rubach, F.; Kleist, E.; Wildt, J.; Mentel, Th. F.; Carrasquillo, A.; Daumit, K.; Hunter, J.; et al

    2015-02-18

    We measured a large suite of gas and particle phase multi-functional organic compounds with a Filter Inlet for Gases and AEROsols (FIGAERO) coupled to a high-resolution time-of-flight chemical ionization mass spectrometer (HR-ToF-CIMS) developed at the University of Washington. The instrument was deployed on environmental simulation chambers to study monoterpene oxidation as a secondary organic aerosol (SOA) source. We focus here on results from experiments utilizing an ionization method most selective towards acids (acetate negative ion proton transfer), but our conclusions are based on more general physical and chemical properties of the SOA. Hundreds of compounds were observed in both gasmore »and particle phases, the latter being detected upon temperature programmed thermal desorption of collected particles. Particulate organic compounds detected by the FIGAERO HR-ToF-CIMS are highly correlated with, and explain at least 25–50% of, the organic aerosol mass measured by an Aerodyne Aerosol Mass Spectrometer (AMS). Reproducible multi-modal structures in the thermograms for individual compounds of a given elemental composition reveal a significant SOA mass contribution from large molecular weight organics and/or oligomers (i.e. multi-phase accretion reaction products). Approximately 50% of the HR-ToF-CIMS particle phase mass is associated with compounds having effective vapor pressures 4 or more orders of magnitude lower than commonly measured monoterpene oxidation products. The relative importance of these accretion-type and other extremely low volatility products appears to vary with photochemical conditions. We present a desorption temperature based framework for apportionment of thermogram signals into volatility bins. The volatility-based apportionment greatly improves agreement between measured and modeled gas–particle partitioning for select major and minor components of the SOA, consistent with thermal decomposition during desorption causing the conversion of lower volatility components into the detected higher volatility compounds.« less

  1. Phase partitioning and volatility of secondary organic aerosol components formed from ?-pinene ozonolysis and OH oxidation: the importance of accretion products and other low volatility compounds

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Lopez-Hilfiker, F. D.; Mohr, C.; Ehn, M.; Rubach, F.; Kleist, E.; Wildt, J.; Mentel, Th. F.; Carrasquillo, A. J.; Daumit, K. E.; Hunter, J. F.; et al

    2015-07-16

    We measured a large suite of gas- and particle-phase multi-functional organic compounds with a Filter Inlet for Gases and AEROsols (FIGAERO) coupled to a high-resolution time-of-flight chemical ionization mass spectrometer (HR-ToF-CIMS) developed at the University of Washington. The instrument was deployed on environmental simulation chambers to study monoterpene oxidation as a secondary organic aerosol (SOA) source. We focus here on results from experiments utilizing an ionization method most selective towards acids (acetate negative ion proton transfer), but our conclusions are based on more general physical and chemical properties of the SOA. Hundreds of compounds were observed in both gas andmore »particle phases, the latter being detected by temperature-programmed thermal desorption of collected particles. Particulate organic compounds detected by the FIGAERO–HR-ToF-CIMS are highly correlated with, and explain at least 25–50 % of, the organic aerosol mass measured by an Aerodyne aerosol mass spectrometer (AMS). Reproducible multi-modal structures in the thermograms for individual compounds of a given elemental composition reveal a significant SOA mass contribution from high molecular weight organics and/or oligomers (i.e., multi-phase accretion reaction products). Approximately 50 % of the HR-ToF-CIMS particle-phase mass is associated with compounds having effective vapor pressures 4 or more orders of magnitude lower than commonly measured monoterpene oxidation products. The relative importance of these accretion-type and other extremely low volatility products appears to vary with photochemical conditions. We present a desorption-temperature-based framework for apportionment of thermogram signals into volatility bins. The volatility-based apportionment greatly improves agreement between measured and modeled gas-particle partitioning for select major and minor components of the SOA, consistent with thermal decomposition during desorption causing the conversion of lower volatility components into the detected higher volatility compounds.« less

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

    SciTech Connect (OSTI)

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

    2014-06-09

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

  3. 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)

    2014-12-15

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

  4. THE CHEMICAL COMPOSITION OF CO-RICH COMET C/2009 P1 (GARRADD) AT R{sub h} = 2.4 and 2.0 AU BEFORE PERIHELION

    SciTech Connect (OSTI)

    Paganini, L.; Mumma, M. J.; Villanueva, G. L.; DiSanti, M. A.; Bonev, B. P.; Lippi, M.; Boehnhardt, H.

    2012-03-20

    We quantified 10 parent volatiles in comet C/2009 P1 (Garradd) before perihelion, through high-dispersion infrared spectra acquired with CRIRES at ESO's Very Large Telescope on UT 2011 August 7 (R{sub h} = 2.4 AU) and September 17-21 (R{sub h} = 2.0 AU). On August 7, water was searched for but not detected at an upper limit (3{sigma}) of 2.1 Multiplication-Sign 10{sup 28} s{sup -1}, while ethane was detected with a production rate of 6.1 Multiplication-Sign 10{sup 26} s{sup -1}. On September 17-21, the mean production rate for water was 8.4 Multiplication-Sign 10{sup 28} s{sup -1}, and five trace species (CO, C{sub 2}H{sub 6}, CH{sub 4}, HCN, and CH, OH) were securely detected, and (3{sigma}) upper limits were retrieved for NH{sub 3}, C{sub 2}H{sub 2}, OCS, and HDO. Given the relatively large heliocentric distance, we explored the effect of water not being fully sublimated within our field of view and identified the 'missing' water fraction needed to reconcile the retrieved abundance ratios with the mean values found for 'organics-normal' comets. The individual spatial profiles of parent volatiles and the continuum displayed rather asymmetric outgassing. Indications of H{sub 2}O and CO gas being released in different directions suggest chemically distinct active vents and/or the possible existence of polar and apolar ice aggregates in the nucleus. The high fractional abundance of CO identifies comet C/2009 P1 as a CO-rich comet.

  5. Palladium site ordering and the occurrence of superconductivity in Bi{sub 2}Pd{sub 3}Se{sub 2-x}S{sub x}

    SciTech Connect (OSTI)

    Weihrich, R. [Institut fuer Anorganische Chemie, Universitaet Regensburg, Universitaetsstrasse 31, D-93040 Regensburg (Germany); Matar, S.F., E-mail: matar@icmcb-bordeaux.cnrs.f [CNRS, University of Bordeaux, ICMCB, 87 avenue du Docteur A. Schweitzer, F-33600 Pessac (France); Anusca, I.; Pielnhofer, F.; Peter, P.; Bachhuber, F. [Institut fuer Anorganische Chemie, Universitaet Regensburg, Universitaetsstrasse 31, D-93040 Regensburg (Germany); Eyert, V. [Center for Electronic Correlations and Magnetism, Institute for Physics, University of Augsburg, D-86135 Augsburg (Germany)

    2011-04-15

    The crystallographic and electronic structures of compounds related to parkerite (Bi{sub 2}Ni{sub 3}S{sub 2}) are investigated with respect to the recently reported occurrence (Bi{sub 2}Pd{sub 3}Se{sub 2}) and absence (Bi{sub 2}Pd{sub 3}S{sub 2}) of superconductivity. Similarities and differences of the crystal structures are discussed within the series of solid solutions Bi{sub 2}Pd{sub 3}S{sub 2-x}Se{sub x} from powder and single crystal diffraction data. From crystal structure refinements, the question of different structures and settings of parkerite is discussed. Similar and different 2D and 3D partial Pd-Ch (Ch=S, Se) structures are related to half antiperovskite ordering schemes. To investigate the relation of low dimensional structures and the occurrence of superconductivity, electronic structures are analyzed by scalar-relativistic DFT calculations, including site projected DOS, ECOV and Fermi surfaces. -- Graphical abstract: Structure relations for perovskite type BiPd{sub 3}C, BiPd{sub 3/2}Se and BiPd{sub 3/2}S. Display Omitted Research highlights: {yields} Merging crystallographic and electronic structures studies to understand chalcogenides related to parkerite (Bi{sub 2}Ni{sub 3}S{sub 2}). {yields} Investigation in view of recently reported occurrence (Bi{sub 2}Pd{sub 3}Se{sub 2}) and absence (Bi{sub 2}Pd{sub 3}S{sub 2}) of superconductivity. {yields} Relationship of half perovskites with perovskites.

  6. Ternary CaCu{sub 4}P{sub 2}-type pnictides AAg{sub 4}Pn{sub 2} (A=Sr, Eu; Pn=As, Sb)

    SciTech Connect (OSTI)

    Stoyko, Stanislav S.; Khatun, Mansura; Scott Mullen, C. [Department of Chemistry, University of Alberta, Edmonton, Alberta, T6G 2G2 (Canada); Mar, Arthur, E-mail: arthur.mar@ualberta.ca [Department of Chemistry, University of Alberta, Edmonton, Alberta, T6G 2G2 (Canada)

    2012-08-15

    Four ternary pnictides AAg{sub 4}Pn{sub 2} (A=Sr, Eu; Pn=As, Sb) were prepared by reactions of the elements at 850 Degree-Sign C and their crystal structures were determined from single-crystal X-ray diffraction studies. These silver-containing pnictides AAg{sub 4}Pn{sub 2} adopt the trigonal CaCu{sub 4}P{sub 2}-type structure (Pearson symbol hR21, space group R3-bar m, Z=3; a=4.5555(6) A, c=24.041(3) A for SrAg{sub 4}As{sub 2}; a=4.5352(2) A, c=23.7221(11) A for EuAg{sub 4}As{sub 2}; a=4.7404(4) A, c=25.029(2) A for SrAg{sub 4}Sb{sub 2}; a=4.7239(3) A, c=24.689(2) A for EuAg{sub 4}Sb{sub 2}), which can be derived from the trigonal CaAl{sub 2}Si{sub 2}-type structure of the isoelectronic zinc-containing pnictides AZn{sub 2}Pn{sub 2} by insertion of additional Ag atoms into trigonal planar sites within [M{sub 2}Pn{sub 2}]{sup 2-} slabs built up of edge-sharing tetrahedra. Band structure calculations on SrAg{sub 4}As{sub 2} and SrAg{sub 4}Sb{sub 2} revealed that these charge-balanced Zintl phases actually exhibit no gap at the Fermi level and are predicted to be semimetals. - Graphical abstract: SrAg{sub 4}As{sub 2} and related pnictides adopt a CaCu{sub 4}P{sub 2}-type structure in which additional Ag atoms enter trigonal planar sites within slabs built from edge-sharing tetrahedra. Highlights: Black-Right-Pointing-Pointer AAg{sub 4}Pn{sub 2} are the first Ag-containing members of the CaCu{sub 4}P{sub 2}-type structure. Black-Right-Pointing-Pointer Ag atoms are stuffed in trigonal planar sites within CaAl{sub 2}Si{sub 2}-type slabs. Black-Right-Pointing-Pointer Ag-Ag bonding develops through attractive d{sup 10}-d{sup 10} interactions.

  7. Structure, magnetism, specific heat, and dielectric properties of Eu{sub 2}Ta{sub 2}O{sub 7}

    SciTech Connect (OSTI)

    Kolodiazhnyi, T. Sakurai, H.; Matsushita, Y.

    2014-11-17

    Polycrystalline Eu{sub 2}Ta{sub 2}O{sub 7} containing layered perovskite slabs was prepared and analyzed. Eu{sub 2}Ta{sub 2}O{sub 7} crystallizes in the orthorhombic centrosymmetric Cmcm space group (with unit cell: a?=?3.95156(9), b?=?27.0775(6), and c?=?5.68279(13) Ĺ) isomorphous with high-temperature Sr{sub 2}Ta{sub 2}O{sub 7}. Dielectric measurements reveal that, in contrast to Sr{sub 2}Ta{sub 2}O{sub 7} which is ferroelectric below 166?K, Eu{sub 2}Ta{sub 2}O{sub 7} remains paraelectric down to at least 0.45?K and shows no magneto-dielectric coupling. Magnetic data in the 2–400?K range indicate an antiferromagnetic phase transition with a sharp susceptibility peak at 2.71(5) K. Further analysis using specific heat measurements reveals that the second magnetic phase transition occurs at 1.10(5) K and dominates the spin entropy of the Eu{sup 2+} 4f{sup 7} ions. The possible origin of the two successive magnetic phase transitions in Eu{sub 2}Ta{sub 2}O{sub 7} requires further studies.

  8. 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)

    2012-01-15

    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.

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

    SciTech Connect (OSTI)

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

    2011-05-15

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

  10. 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; Becht, Gregory; He, Jian; Hitchcock, Dale; Yan, Yonggao; Hwu, Shiou-Jyh

    2013-10-15

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

  11. Ti{sub 5}O{sub 5} superstructures of cubic titanium monoxide

    SciTech Connect (OSTI)

    Gusev, A. I.

    2013-08-15

    A cubic model is proposed for the Ti{sub 5}O{sub 5} (Ti{sub 5} Black-Small-Square O{sub 5}{open_square} {identical_to} Ti{sub 90} Black-Small-Square {sub 18}O{sub 90}{open_square}{sub 18}) superstructure of nonstoichiometric titanium monoxide Ti{sub x}O{sub z} with double imperfection. The unit cell of the cubic Ti{sub 5}O{sub 5} superstructure has the threefold lattice parameter of the unit cell of the basis disordered B1 structure of Ti{sub x}O{sub z} monoxide and belongs to space group Pm 3-bar m . The channel of the disorder-order transition, i.e., Ti{sub x}O{sub z} (space group Fm 3-bar m)-Ti{sub 5}O{sub 5} (space group Pm 3-bar m), includes 75 superstructure vectors of seven stars (k{sub 10}), (k{sub 7}), (k{sub 6(1)}), (k{sub 6(2)}), (k{sub 4(1)}), (k{sub 4(2)}), and (k{sub 1}). The distribution functions of Ti and O atoms over the sites of the cubic Ti{sub 5}O{sub 5} superstructure are calculated. A comparison of the X-ray and electron diffraction data obtained for ordered TiO{sub 1.087} monoxide with the theoretical simulation results supports the existence of the cubic Ti{sub 5}O{sub 5} superstructure. The cubic (space group Pm 3-bar m) Ti{sub 5}O{sub 5} superstructure is shown to be a high-temperature structure relative to the well-known monoclinic (space group C2/m) superstructure of the same type.

  12. Synthetic CO.sub.2 acceptor

    DOE Patents [OSTI]

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

    1981-08-18

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

  13. Ammonium–cobalt–nickel phosphates, NH{sub 4}[Co{sub 1?x}Ni{sub x}PO{sub 4}]·H{sub 2}O

    SciTech Connect (OSTI)

    Torre-Fernández, Laura; Trobajo, Camino [Departamentos de Química Física y Analítica y Química Orgánica e Inorgánica, Universidad de Oviedo-CINN, Oviedo, Asturias 33006 (Spain); Pedro, Imanol de [CITIMAC, Facultad de Ciencias, Universidad de Cantabria, 39005 Santander (Spain); Alfonso, Belén F. [Departamento de Física, Universidad de Oviedo, Oviedo, Asturias 33007 (Spain); Fabelo, Oscar [Institut Laue Langevin, Grenoble, France and Instituto de Ciencia de Materiales de Aragón, CSIC-Universidad de Zaragoza, Zaragoza (Spain); Blanco, Jesús A. [Departamento de Física, Universidad de Oviedo, Oviedo, Asturias 33007 (Spain); García, José R., E-mail: jrgm@uniovi.es [Departamentos de Química Física y Analítica y Química Orgánica e Inorgánica, Universidad de Oviedo-CINN, Oviedo, Asturias 33006 (Spain); García-Granda, Santiago [Departamentos de Química Física y Analítica y Química Orgánica e Inorgánica, Universidad de Oviedo-CINN, Oviedo, Asturias 33006 (Spain)

    2013-10-15

    The ammonium–cobalt–nickel phosphates, NH{sub 4}[Co{sub 1?x}Ni{sub x}PO{sub 4}]·H{sub 2}O (x=0.00, 0.34, 0.59, 0.70, 1.00), and the deuterated forms, ND{sub 4}[Co{sub 1?x}Ni{sub x}PO{sub 4}]·D{sub 2}O (x=0.00, 0.38, 0.48, 0.69, 0.85), have been synthesized under mild hydrothermal conditions and characterised using X-ray and neutron diffraction, chemical and thermal analysis, and magnetic measurements. Their crystal structures, including hydrogen positions, were determined by Rietveld refinement using single-crystal X-ray and neutron powder diffraction data. The space group of these orthorhombic crystals modifies as a function of their composition. The magnetic susceptibility and magnetization measurements of these ammonium–cobalt–nickel phosphates show antiferromagnetic behaviour, and the Neel temperature evolves from 5.5 K (x=0.00) up to 13.2 K (x=1.00). - Graphical abstract: We obtained single crystals for all the members of the family. In this series, although all crystals are orthorhombic, the space group changes as a function of the composition, showing how the single-crystal diffraction data is capable to manifest structural subtleties that had not been described before for this group of materials. All the investigated materials behave antiferromagnetically with ordering temperatures from 5.5 K up to 13.2 K. Display Omitted - Highlights: • The ammonium–cobalt–nickel phosphates, NH{sub 4}[Co{sub 1?x}Ni{sub x}PO{sub 4}]·H{sub 2}O (x=0.00, 0.34, 0.59, 0.70, 1.00) and the deuterated forms ND4[Co1-xNixPO4]·D{sub 2}O (x=0.00, 0.38, 0.49, 0.68, 0.85) have synthesized by hydrothermal synthesis. • The structural studies of these compounds are introduced as a function of the composition. • The magnetic studies show an antiferromagnetically behavior with ordering temperatures from 5.5 K to 13.2 K.

  14. 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

    2013-07-01

    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)

  15. 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)

    2012-03-15

    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.

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

    SciTech Connect (OSTI)

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

    2014-07-01

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

  17. Growth of nanocrystalline MoO{sub 3} on Au(111) studied by in situ scanning tunneling microscopy

    SciTech Connect (OSTI)

    Biener, Monika M.; Biener, Juergen; Schalek, Richard; Friend, Cynthia M. [Department of Chemistry, Harvard University, Cambridge, Massachusetts 02138 (United States); Division of Engineering and Applied Sciences, Harvard University, Cambridge, Massachusetts 02138 (United States); Center for Imaging and Mesoscale Structures, Harvard University, Cambridge, Massachusetts 02138 (United States); Center for Imaging and Mesoscale Structures, Harvard University, Cambridge, Massachusetts 02138 (United States); Department of Chemistry, Harvard University, Cambridge, Massachusetts 02138 (United States); Division of Engineering and Applied Sciences, Harvard University, Cambridge, Massachusetts 02138 (United States)

    2004-12-15

    The growth of nanocrystalline MoO{sub 3} islands on Au(111) using physical vapor deposition of Mo has been studied by scanning tunneling microscopy and low energy electron diffraction. The growth conditions affect the shape and distribution of the MoO{sub 3} nanostructures, providing a means of preparing materials with different percentages of edge sites that may have different chemical and physical properties than atoms in the interior of the nanostructures. MoO{sub 3} islands were prepared by physical vapor deposition of Mo and subsequent oxidation by NO{sub 2} exposure at temperatures between 450 K and 600 K. They exhibit a crystalline structure with a c(4x2) periodicity relative to unreconstructed Au(111). While the atomic-scale structure is identical to that of MoO{sub 3} islands prepared by chemical vapor deposition, we demonstrate that the distribution of MoO{sub 3} islands on the Au(111) surface reflects the distribution of Mo clusters prior to oxidation although the growth of MoO{sub 3} involves long-range mass transport via volatile MoO{sub 3} precursor species. The island morphology is kinetically controlled at 450 K, whereas an equilibrium shape is approached at higher preparation temperatures or after prolonged annealing at the elevated temperature. Mo deposition at or above 525 K leads to the formation of a Mo-Au surface alloy as indicated by the observation of embedded MoO{sub 3} islands after oxidation by NO{sub 2}. Au vacancy islands, formed when Mo and Au dealloy to produce vacancies, are observed for these growth conditions.

  18. Sulfur dioxide gas detection with Na/sub 2/SO/sub 4/-Li/sub 2/SO/sub 4/-Y/sub 2/(SO/sub 4/)/sub 3/-SiO/sub 2/ solid electrolyte by a solid reference electrode method

    SciTech Connect (OSTI)

    Imanaka, N.; Yamaguchi, Y.; Adachi, G.; Shiokawa, J.

    1987-03-01

    The electromotive force (EMF) measurement for a Na/sub 2/SO/sub 4/Li/sub 2/SO/sub 4/-Y/sub 2/(SO/sub 4/)/sub 3/-SiO/sub 2/ solid electrolyte was performed both with NiSO/sub 4/-NiO and CoSO/sub 4/-Co/sub 3/O/sub 4/ solid reference SO/sub 2/ electrodes. The measured EMF coincided well with the calculated EMF for a sulfur dioxide gas concentration from 30 ppm to 1% at 973 K. Good agreement between the measured and calculated EMF was also obtained for the SO/sub 2/ gas content from 100 ppm to 1%, at 923 K with the NiSO/sub 4/-NiO electrode.

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

    SciTech Connect (OSTI)

    Mikhailovskaya, Z.A.; Buyanova, E.S.; Petrova, S.A.; Morozova, M.V.; Zhukovskiy, V.M.; Zakharov, R.G.; Tarakina, N.V.; Berger, I.F.

    2013-08-15

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

  20. 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; Mattausch, Hansjuergen; Hoch, Constantin; Simon, Arndt

    2009-08-15

    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.

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

    SciTech Connect (OSTI)

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

    2012-08-15

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

  2. Thermal expansion of Cr{sub 2x}Fe{sub 2-2x}Mo{sub 3}O{sub 12}, Al{sub 2x}Fe{sub 2-2x}Mo{sub 3}O{sub 12} and Al{sub 2x}Cr{sub 2-2x}Mo{sub 3}O{sub 12} solid solutions

    SciTech Connect (OSTI)

    Ari, M.; Jardim, P.M.; Marinkovic, B.A. Rizzo, F.; Ferreira, F.F.

    2008-06-15

    The transition temperature from monoclinic to orthorhombic and the thermal expansion of the orthorhombic phase were investigated for three systems of the family A{sub 2}M{sub 3}O{sub 12}: Cr{sub 2x}Fe{sub 2-2x}Mo{sub 3}O{sub 12}, Al{sub 2x}Fe{sub 2-2x}Mo{sub 3}O{sub 12} and Al{sub 2x}Cr{sub 2-2x}Mo{sub 3}O{sub 12}. It was possible to obtain a single-phase solid solution in all studied samples (x=0, 0.1, 0.3, 0.5, 0.7, 0.9 and 1). A linear relationship between the transition temperature and the fraction of A{sup 3+} cations (x) was observed for each system. In all orthorhombic solid solutions studied here the observed thermal expansion was anisotropic. These anisotropic thermal expansion properties of crystallographic axes a, b and c result in a low positive or near-zero overall linear coefficient of thermal expansion ({alpha}{sub l}={alpha}{sub V}/3). The relationship between the size of A{sup 3+} cations in A{sub 2}M{sub 3}O{sub 12} and the coefficient of thermal expansion is discussed. Near-zero thermal expansion of Cr{sub 2}Mo{sub 3}O{sub 12} is explained by the behavior of Cr-O and Mo-O bond distances, Cr-Mo non-bond distances and Cr-O-Mo bond angles with increasing temperature, estimated by Rietveld analysis of synchrotron X-ray powder diffraction data. - Graphical abstract: In this figure, all published overall linear coefficients of thermal expansion for orthorhombic A{sub 2}M{sub 3}O{sub 12} family obtained through diffraction methods as a function of A{sup 3+} cation radii size, together with dilatometric results, are plotted. Our results indicate that Cr{sub 2}Mo{sub 3}O{sub 12} does not exactly follow the established relationship.

  3. Structural and thermal studies of H{sub 2}La{sub 2/3}Ta{sub 2}O{sub 7}, a protonated layered perovskite

    SciTech Connect (OSTI)

    Le Berre, F.; Crosnier-Lopez, M.P.; Fourquet, J.L.

    2006-04-13

    We have synthesised the new protonated layered perovskite H{sub 2}La{sub 2/3}Ta{sub 2}O{sub 7} which is related to the Ruddlesden-Popper family. This compound is obtained by ionic exchange starting from Li{sub 2}La{sub 2/3}Ta{sub 2}O{sub 7} maintained in dilute HNO{sub 3} at 60 deg. C. Thermal X-ray diffraction and DTA/TGA revealed interesting dehydration properties with formation of a layered anhydrous phase leading at higher temperature (1550 deg. C) to La{sub 1/3}TaO{sub 3}. This latter compound exhibits the original lanthanum ordering expected similarly to that of the Li form, while at 900 deg. C a metastable form, presenting a disordered La distribution, is observed.

  4. Vapor Transport of a Volatile Solvent for a Multicomponent Aerosol Droplet

    E-Print Network [OSTI]

    Feng, James Q

    2015-01-01

    This work presents analytical formulas derived for evaluating vapor transport of a volatile solvent for an isolated multicomponent droplet in a quiescent environment, based on quasi-steady-state approximation. Among multiple solvent components, only one component is considered to be much more volatile than the rest such that other components are assumed to be nonvolatile remaining unchanged in the droplet during the process of (single-component) volatile solvent evaporation or condensation. For evaporating droplet, the droplet size often initially decreases following the familiar "d^2 law" at an accelerated rate. But toward the end, the rate of droplet size change diminishes due to the presence of nonvolatile cosolvent. Such an acceleration-deceleration reversal behavior is unique for evaporating multicomponent droplet, while the droplet of pure solvent has an accelerated rate of size change all the way through the end. This reversal behavior is also reflected in the droplet surface temperature evolution as "...

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

    SciTech Connect (OSTI)

    Fisch, Martin; Armbruster, Thomas; Rentsch, Daniel; Libowitzky, Eugen; Pettke, Thomas

    2011-01-15

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

  6. 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. Karoui, K.; Guidara, K.; Ben Rhaiem, A.; Tabellout, M.

    2014-04-21

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

  7. 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. Karoui, K.; Guidara, K.; Ben Rhaiem, A.; Tabellout, M.

    2014-05-28

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

  8. Structure and magnetic interactions in the solid solution Ba{sub 3?x}Sr{sub x}Cr{sub 2}O{sub 8}

    SciTech Connect (OSTI)

    Grundmann, Henrik; Schilling, Andreas; Marjerrison, Casey A.; Dabkowska, Hanna A.; Gaulin, Bruce D.

    2013-09-01

    Highlights: • We describe for the first time the preparation of single- and polycrystalline members of the solid solution Ba{sub 3?x}Sr{sub x}Cr{sub 2}O{sub 8}. • We report on the structural changes in the solid solution at room temperature depending on the stoichiometry. • We describe the peculiar change of the magnetic behavior in the solid solution with the stoichiometry. - Abstract: Solid solutions of the magnetic insulators Ba{sub 3}Cr{sub 2}O{sub 8} and Sr{sub 3}Cr{sub 2}O{sub 8} (Ba{sub 3?x}Sr{sub x}Cr{sub 2}O{sub 8}) have been prepared in polycrystalline form for the first time. Single crystalline material was obtained using a mirror image floating zone technique. X-ray diffraction data taken at room temperature indicate that the space group of Ba{sub 3?x}Sr{sub x}Cr{sub 2}O{sub 8} remains unchanged for all values of x, while the cell parameters depend on the chemical composition, as expected. Magnetization data, measured from 300 K down to 2 K, suggest that the interaction constant J{sub d} within the Cr{sup 5+} dimers varies in a peculiar way as a function of x, starting at J{sub d} = 25 K for x = 0, then first slightly dropping to J{sub d} = 18 K for x ? 0.75, before reaching J{sub d} = 62 K for x = 3.

  9. 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; Jozic, Drazan; Planinic, Pavica; Brnicevic, Nevenka; Giester, Gerald

    2009-09-15

    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.

  10. Vapor Transport of a Volatile Solvent for a Multicomponent Aerosol Droplet

    E-Print Network [OSTI]

    James Q. Feng

    2015-07-19

    This work presents analytical formulas derived for evaluating vapor transport of a volatile solvent for an isolated multicomponent droplet in a quiescent environment, based on quasi-steady-state approximation. Among multiple solvent components, only one component is considered to be much more volatile than the rest such that other components are assumed to be nonvolatile remaining unchanged in the droplet during the process of (single-component) volatile solvent evaporation or condensation. For evaporating droplet, the droplet size often initially decreases following the familiar "d^2 law" at an accelerated rate. But toward the end, the rate of droplet size change diminishes due to the presence of nonvolatile cosolvent. Such an acceleration-deceleration reversal behavior is unique for evaporating multicomponent droplet, while the droplet of pure solvent has an accelerated rate of size change all the way through the end. This reversal behavior is also reflected in the droplet surface temperature evolution as "S-shaped" curves. However, a closer mathematical examination of conditions for acceleration-deceleration reversal indicates that the acceleration phase may disappear when the amount of nonvolatile cosolvent is relatively small and ambient vapor pressure is relatively high. Because the net effect of adding nonvolatile cosolvent is to reduce the mole fraction of the volatile solvent such that the saturation vapor pressure is lowered, vapor condensation onto the multicomponent droplet is predicted to occur when the ambient vapor pressure is subsaturated with respect to that for the pure volatile solvent. In this case, the droplet will grow asymptotically toward a finite size. But when the ambient vapor pressure becomes supersaturated with respect to that for the pure volatile solvent, the condensation growth of droplet can continue indefinitely without bound.

  11. HIGHLY DEPLETED ETHANE AND MILDLY DEPLETED METHANOL IN COMET 21P/GIACOBINI-ZINNER: APPLICATION OF A NEW EMPIRICAL {nu}{sub 2}-BAND MODEL FOR CH{sub 3}OH NEAR 50 K

    SciTech Connect (OSTI)

    DiSanti, M. A.; Bonev, B. P.; Villanueva, G. L.; Mumma, M. J.

    2013-01-20

    We obtained infrared spectra of Comet 21P/Giacobini-Zinner (hereafter 21P/GZ) using NIRSPEC at Keck II on UT 2005 June 3, approximately one month before perihelion, that simultaneously sampled H{sub 2}O, C{sub 2}H{sub 6}, and CH{sub 3}OH. Our production rate for H{sub 2}O (3.885 {+-} 0.074 Multiplication-Sign 10{sup 28} molecules s{sup -1}) was consistent with that measured during other apparitions of 21P/GZ as retrieved from optical, infrared, and radio observations. Our analysis also provided values for rotational temperature (T {sub rot} = 51 {+-} 3 K) and the abundance ratio of ortho and para spin populations for water (OPR = 2.99 {+-} 0.23, implying a spin temperature exceeding 50 K). Six Q-branches in the {nu}{sub 7} band of C{sub 2}H{sub 6} provided a production rate (5.27 {+-} 0.90 Multiplication-Sign 10{sup 25} s{sup -1}) that corresponded to an abundance ratio of 0.136 {+-} 0.023 Multiplication-Sign 10{sup -2} relative to H{sub 2}O, confirming the previously reported strong depletion of C{sub 2}H{sub 6} from IR observations during the 1998 apparition, and in qualitative agreement with the depletion of C{sub 2} known from optical studies of 21P/GZ. For CH{sub 3}OH, we applied our recently published quantum model for the {nu}{sub 3} band to obtain a rotational temperature (48{sup +10}/{sub -7} K) consistent with that obtained for H{sub 2}O. In addition, we developed a new empirical model for the CH{sub 3}OH {nu}{sub 2} band, based on observations of Comet 8P/Tuttle with NIRSPEC. The application of our {nu}{sub 2} model to 21P/GZ yielded a production rate in agreement with that obtained from the {nu}{sub 3} band. Combining results from both {nu}{sub 2} and {nu}{sub 3} bands provided a production rate (47.5 {+-} 4.4 Multiplication-Sign 10{sup 25} s{sup -1}) that corresponded to an abundance ratio of 1.22 {+-} 0.11 Multiplication-Sign 10{sup -2} relative to H{sub 2}O in 21P/GZ, indicating mild depletion of CH{sub 3}OH. Together with observations of 21P/GZ in 1998, our study provides a measure of primary volatile production rates for this Jupiter family comet over multiple apparitions using high-resolution IR spectroscopy.

  12. 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)

    2002-01-01

    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.

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

    DOE Patents [OSTI]

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

    2004-09-07

    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.

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

    E-Print Network [OSTI]

    McDonald, Thomas Joseph

    1982-01-01

    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...

  15. Thermal engine driven heat pump for recovery of volatile organic compounds

    DOE Patents [OSTI]

    Drake, Richard L. (Schenectady, NY)

    1991-01-01

    The present invention relates to a method and apparatus for separating volatile organic compounds from a stream of process gas. An internal combustion engine drives a plurality of refrigeration systems, an electrical generator and an air compressor. The exhaust of the internal combustion engine drives an inert gas subsystem and a heater for the gas. A water jacket captures waste heat from the internal combustion engine and drives a second heater for the gas and possibly an additional refrigeration system for the supply of chilled water. The refrigeration systems mechanically driven by the internal combustion engine effect the precipitation of volatile organic compounds from the stream of gas.

  16. K{sub 2}NaOsO{sub 5.5} and K{sub 3}NaOs{sub 2}O{sub 9}: The first osmium perovskites containing alkali cations at the 'A' site

    SciTech Connect (OSTI)

    Mogare, Kailash M.; Klein, Wilhelm; Jansen, Martin

    2012-07-15

    K{sub 2}NaOsO{sub 5.5} and K{sub 3}NaOs{sub 2}O{sub 9} were obtained from solid-state reactions of potassium superoxide, sodium peroxide and osmium metal at elevated oxygen pressures. K{sub 2}NaOsO{sub 5.5} crystallizes as an oxygen-deficient cubic double perovskite in space group Fm3{sup Macron }m with a=8.4184(5) A and contains isolated OsO{sub 6} octahedra. K{sub 3}NaOs{sub 2}O{sub 9} crystallizes hexagonally in P6{sub 3}/mmc with a=5.9998(4) A and c=14.3053(14) A. K{sub 3}NaOs{sub 2}O{sub 9} consists of face sharing Os{sub 2}O{sub 9} pairs of octahedra. According to magnetic measurements K{sub 2}NaOsO{sub 5.5} is diamagnetic, whereas K{sub 3}NaOs{sub 2}O{sub 9} displays strong antiferromagnetic coupling (T{sub N}=140 K), indicating enhanced magnetic interactions within the octahedral pair. - Graphical abstract: High oxidation states of Os, obtained by high oxygen pressure synthesis, are accommodated in double and triple perovskite matrices. K{sub 3}NaOs{sub 2}O{sub 9} displays enhanced magnetic interactions. Highlights: Black-Right-Pointing-Pointer New osmates containing highly oxidized Os were obtained by high O{sub 2} pressure synthesis. Black-Right-Pointing-Pointer High oxidation states of Os are accommodated in double and triple perovskite matrices. Black-Right-Pointing-Pointer Both compounds represent the first Os perovskites with an alkali metal at the A site. Black-Right-Pointing-Pointer K{sub 3}NaOs{sub 2}O{sub 9} displays enhanced magnetic interactions within the octahedral pair.

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

    SciTech Connect (OSTI)

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

    2014-07-01

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

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

    SciTech Connect (OSTI)

    Fournier, Joseph A.; Shuman, Nicholas S.; Melko, Joshua J.; Ard, Shaun G.; Viggiano, Albert A.

    2013-04-21

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

  19. Facile synthesis and characterization of ZnFe{sub 2}O{sub 4}/{alpha}-Fe{sub 2}O{sub 3} composite hollow nanospheres

    SciTech Connect (OSTI)

    Shen, Yu [Key Laboratory of Industrial Ecology and Environmental Engineering and State Key Laboratory of Fine Chemical, School of Environmental Science and Technology, Dalian University of Technology, Dalian 116024 (China) [Key Laboratory of Industrial Ecology and Environmental Engineering and State Key Laboratory of Fine Chemical, School of Environmental Science and Technology, Dalian University of Technology, Dalian 116024 (China); School of Environmental and Chemical Engineering, Dalian Jiaotong University, Dalian 116028 (China); Li, Xinyong, E-mail: xyli@dlut.edu.cn [Key Laboratory of Industrial Ecology and Environmental Engineering and State Key Laboratory of Fine Chemical, School of Environmental Science and Technology, Dalian University of Technology, Dalian 116024 (China) [Key Laboratory of Industrial Ecology and Environmental Engineering and State Key Laboratory of Fine Chemical, School of Environmental Science and Technology, Dalian University of Technology, Dalian 116024 (China); Department of Chemical Engineering, Curtin University, Perth, WA 6845 (Australia); Zhao, Qidong; Hou, Yang [Key Laboratory of Industrial Ecology and Environmental Engineering and State Key Laboratory of Fine Chemical, School of Environmental Science and Technology, Dalian University of Technology, Dalian 116024 (China)] [Key Laboratory of Industrial Ecology and Environmental Engineering and State Key Laboratory of Fine Chemical, School of Environmental Science and Technology, Dalian University of Technology, Dalian 116024 (China); Tade, Moses [Department of Chemical Engineering, Curtin University, Perth, WA 6845 (Australia)] [Department of Chemical Engineering, Curtin University, Perth, WA 6845 (Australia); Liu, Shaomin, E-mail: Shaomin.Liu@curtin.edu.au [Department of Chemical Engineering, Curtin University, Perth, WA 6845 (Australia)] [Department of Chemical Engineering, Curtin University, Perth, WA 6845 (Australia)

    2011-12-15

    Highlights: Black-Right-Pointing-Pointer ZnFe{sub 2}O{sub 4}/{alpha}-Fe{sub 2}O{sub 3} composite hollow nanospheres were successfully synthesized via a facile method. Black-Right-Pointing-Pointer Detailed structural, morphology and the phase composition were studied. Black-Right-Pointing-Pointer The incorporation of ZnFe{sub 2}O{sub 4} and {alpha}-Fe{sub 2}O{sub 3} gives an appropriate band gap value to utilize solar energy. -- Abstract: ZnFe{sub 2}O{sub 4}/{alpha}-Fe{sub 2}O{sub 3} composite hollow nanospheres were successfully fabricated via a facile one-pot solvothermal method, utilizing polyethylene glycol as soft template. X-ray diffraction and scanning electron microscopy analysis revealed that the prepared nanospheres with cubic spinel and rhombohedra composite structure had a uniform diameter of about 370 nm, and the hollow structure could be further confirmed by transmission electron microscopy. Energy dispersive X-ray, X-ray photoelectron spectroscopy and Fourier transform infrared techniques were also applied to characterize the elemental composition and chemical bonds in the hollow nanospheres. The ZnFe{sub 2}O{sub 4}/{alpha}-Fe{sub 2}O{sub 3} composite hollow nanospheres show attractive light absorption property for potential applications in electronics, optics, and catalysis.

  20. Cold-Storage Potential of Four Yellow-Fleshed Peach Cultivars Defined by Their Volatile Compounds Emissions, Standard Quality

    E-Print Network [OSTI]

    Crisosto, Carlos H.

    Cold-Storage Potential of Four Yellow-Fleshed Peach Cultivars Defined by Their Volatile Compounds in firmness during both storage and commercialization periods. In contrast, the SSC, TA, and color remained constant during storage. Ten days of cold storage produced the highest total volatile emissions

  1. Induced Release of a Plant-Defense Volatile `Deceptively' Attracts Insect Vectors to Plants Infected with a Bacterial

    E-Print Network [OSTI]

    Burns, Jacqueline K.

    , and pathogen. Pathogen-induced plant responses can include changes in volatile and nonvolatile secondary metabolites as well as major plant nutrients. Experiments were conducted to understand how a plant pathogenicInduced Release of a Plant-Defense Volatile `Deceptively' Attracts Insect Vectors to Plants

  2. Space-based formaldehyde measurements as constraints on volatile organic compound emissions in east and south Asia and implications

    E-Print Network [OSTI]

    Palmer, Paul

    Space-based formaldehyde measurements as constraints on volatile organic compound emissions in east a continuous 6-year record (1996­2001) of GOME satellite measurements of formaldehyde (HCHO) columns over east (2007), Space-based formaldehyde measurements as constraints on volatile organic compound emissions

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

    E-Print Network [OSTI]

    PII S0016-7037(01)00802-X Volatilization kinetics of silicon carbide in reducing gases August 21, 2001) Abstract--The volatilization kinetics of single crystal -SiC, polycrystalline -Si in terrestrial rocks (Bauer et al., 1963; Marshint- sev et al., 1982; Leung, 1990; Filippidis, 1993), although

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

    SciTech Connect (OSTI)

    Ishimori, Hajime

    2013-05-23

    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 .

  5. Novel yellowish-green emitting luminescence in Ca{sub 7}Si{sub 2}P{sub 2}O{sub 16}:Eu{sup 2+} phosphor

    SciTech Connect (OSTI)

    Wei, Donglei [College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou 215123 (China); Interdisciplinary Program of LED and Solid State Lighting Engineering, Pukyong National University, Busan 608-737 (Korea, Republic of); Department of Physics, Pukyong National University, Busan 608-737 (Korea, Republic of); Huang, Yanlin, E-mail: huang@suda.edu.cn [College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou 215123 (China); Seo, Hyo Jin, E-mail: hjseo@pknu.ac.kr [Interdisciplinary Program of LED and Solid State Lighting Engineering, Pukyong National University, Busan 608-737 (Korea, Republic of); Department of Physics, Pukyong National University, Busan 608-737 (Korea, Republic of)

    2013-09-01

    Graphical abstract: The phosphor has two separated emission centers with the dependent emission intensity on Eu{sup 2+} doping. There is a red-shift in the emission due to energy transfer with increasing the Eu{sup 2+}-doping. - Highlights: • Green-origin-emitting phosphors of Eu{sup 2+}-doped Ca{sub 7}Si{sub 2}P{sub 2}O{sub 16} were firstly prepared by chemical sol–gel method. • The tunable luminescence color was realized by the changing Eu{sup 2+}-doping in Ca{sub 7}Si{sub 2}P{sub 2}O{sub 16}. • Ca{sub 7}Si{sub 2}P{sub 2}O{sub 16}:Eu{sup 2+} displays two typical luminescence centers with the emission depending on Eu{sup 2+} doping. • Eu{sup 2+}-doped Ca{sub 7}Si{sub 2}P{sub 2}O{sub 16} phosphor has an excellent thermal stability on the temperature quenching. - Abstract: Color tunable green-origin-emitting phosphor of Eu{sup 2+}-doped phosphate-silicate Ca{sub 7}Si{sub 2}P{sub 2}O{sub 16} was prepared by chemical sol–gel method. The X-ray powder diffraction, the photoluminescence excitation and emission spectra, time resolved spectra, and thermal stability were measured. The excitation spectra can well match with the emission light of near UV-LED chips (360–400 nm). The tunable luminescence was realized by changing Eu{sup 2+}-doping concentration. Ca{sub 7}Si{sub 2}P{sub 2}O{sub 16}:Eu{sup 2+} displays two typical luminescence centers, which were suggested to originate from two Ca{sup 2+} sites in the host. With increasing Eu{sup 2+} doping concentrations, the green emission band shifts to long wavelength. Energy transfer between the two different Eu{sup 2+} ions is discussed by analyzing the photoluminescence excitation and emission spectra, concentration-dependent luminescence intensity, and lifetimes. The dependence of the luminescence intensity of Ca{sub 7}Si{sub 2}P{sub 2}O{sub 16}:Eu{sup 2+} on temperatures was measured. The activation energy (?E) for thermal quenching was reported.

  6. Microstructures and properties of CH{sub 3}NH{sub 3}PbI{sub 3?x}Cl{sub x} hybrid solar cells

    SciTech Connect (OSTI)

    Suzuki, Kohei E-mail: oku@mat.usp.ac.jp; Suzuki, Atsushi E-mail: oku@mat.usp.ac.jp; Zushi, Masahito E-mail: oku@mat.usp.ac.jp; Oku, Takeo E-mail: oku@mat.usp.ac.jp

    2015-02-27

    Halide-perovskite CH{sub 3}NH{sub 3}PbI{sub 3} was produced on mesoporous TiO{sub 2} layer by spin-coating a precursor solution of PbCl{sub 2} and CH{sub 3}NH{sub 3}I in dimethylformamide. The role of the annealing process and chlorine (Cl) doping for the perovskite-phase formation was investigated. It was found that crystallization of the perovskite materials was stimulated by the annealing process, and that longer annealing time is necessary for the Cl-doped perovskite compared with that of non-doped perovskite phase.

  7. 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.; Ahn, C. H.

    2014-02-10

    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.

  8. 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 Hoffmann, Andrea V.; Fässler, Thomas F.

    2013-07-15

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

  9. 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

    2014-09-28

    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}.

  10. Adventures on the C<sub>3sub>H>5sub>O potential energy surface: OH+propyne, OH+allene and related reactions

    SciTech Connect (OSTI)

    Zádor, Judit; Miller, James A.

    2014-06-25

    We mapped out the stationary points and the corresponding conformational space on the C<sub>3sub>H>5sub>O potential energy surface relevant for the OH + allene and OH + propyne reactions systematically and automatically using the KinBot software at the UCCSD(T)-F12b/cc-pVQZ-F12//M06-2X/6-311++G(d,p) level of theory. We used RRKM-based 1-D master equations to calculate pressure- and temperature-dependent, channel-specific phenomenological rate coefficients for the bimolecular reactions propyne + OH and allene + OH, and for the unimolecular decomposition of the CH<sub>3sub>CCHOH, CH<sub>3sub>C(OH)CH, CH<sub>2sub>CCH>2sub>OH, CH<sub>2sub>C(OH)CH>2sub> primary adducts, and also for the related acetonyl, propionyl, 2-methylvinoxy, and 3-oxo-1-propyl radicals. The major channel of the bimolecular reactions at high temperatures is the formation propargyl + H<sub>2sub>O, which makes the title reactions important players in soot formation at high temperatures. However, below ~1000 K the chemistry is more complex, involving the competition of stabilization, isomerization and dissociation processes. We found that the OH addition to the central carbon of allene has a particularly interesting and complex pressure dependence, caused by the low-lying exit channel to form ketene + CH<sub>3sub> bimolecular products. In this study, we compared our results to a wide range of experimental data and assessed possible uncertainties arising from certain aspects of the theoretical framework.

  11. 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)

    2012-10-15

    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.

  12. Keggin (K{sub 5}, H{sub 3}O)[SiV{sub 3}W{sub 9}O{sub 40}H]·xH{sub 2}O: Characterization and crystal structure

    SciTech Connect (OSTI)

    Bonfim, Rodrigo de Paiva Floro; Moura, Luiza Cristina de; Eon, Jean-Guillaume; Mentré, Olivier; Vezin, Hervé; Caldarelli, Stefano

    2014-05-01

    Single crystals of the potassium salt (K{sub 5}, H{sub 3}O)[SiV{sub 3}W{sub 9}O{sub 40}H]·xH{sub 2}O of the vanadium tri-substituted ?-Keggin dodecatungstosilicate were prepared and analyzed by vibrational, EPR and {sup 51}V NMR spectroscopy. Varying the synthesis conditions allows crystallization of partially reduced anions. The crystal structure was determined for both oxidized (V{sup 5+}) and partially reduced (V{sup 4+/5+}) potassium salts. Single crystal X-ray diffraction data and solid state {sup 51}V-NMR spectra confirm the occurrence of a single vanadium site in a cubic structure due to rotational disorder of the Keggin ion. Partially reduced compounds crystallize within the same structure as fully oxidized ones. EPR experiments confirm strong interaction of V{sup 4+} with two V{sup 5+} ions, in accordance with insertion of a V{sub 3} subunit into the lacunary Keggin ion as designed in the synthesis method. The 3D-edifice is composed of K{sup +}/H{sub 2}O counter-sublattice with evidence of tunable water occupancy. - Graphical abstract: Relative arrangements of HPA clusters in (K{sub 5}, H{sub 3}O)[SiV{sub 3}W{sub 9}O{sub 40}]·xH{sub 2}O. - Highlights: • We prepared single crystals of the potassium salt (K{sub 5}, H{sub 3}O)[SiV{sub 3}W{sub 9}O{sub 40}H]·xH{sub 2}O. • The synthesis was designed to give the ?-1,2,3-[SiV{sub 3}W{sub 9}O{sub 40}] Keggin ion. • Strict pH control was necessary to avoid vanadium partial reduction. • Reduced compounds crystallize within the same structure as fully oxidized ones. • EPR confirms strong interaction of V{sup 4+} with two V{sup 5+} ions in a V{sub 3} subunit.

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

    SciTech Connect (OSTI)

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

    1992-01-01

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

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

    SciTech Connect (OSTI)

    Kato, M.; Murakami, T.; Sunaoshi, T.; Nelson, A.T.; McClellan, K.J.

    2013-07-01

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

  15. Melt processing of the Bi[sub 2]Sr[sub 2]CaCu[sub 2]O[sub y] superconductor in oxygen and argon atmospheres

    SciTech Connect (OSTI)

    Holesinger, T.G.; Miller, D.J. ); Chumbley, L.S. )

    1992-08-01

    Solidification and subsequent annealing of Bi[sub 2]Sr[sub 2]CaCu[sub 2]O[sub y] (2212) in oxygen and argon atmospheres were investigated in order to identify alternative processing routes for controlling microstructures and superconducting properties. In addition to 2212, several other phases formed on cooling in O[sub 2] and did not disappear upon subsequent annealing. Crystallization in Ar resulted in a divorced eutetic structure of Bi[sub 2]Sr[sub 3-x]Ca[sub x]O[sub y] and Cu[sub 2]O/CuO. The superconductor was formed on subsequent anneals. Samples melted in Ar and then annealed generally possessed a more uniform microstructure compared with samples that were melted in oxygen and annealed. Compositional measurements of the 2212 phase suggest that CaO segregation in the melt may be minimized with an overall composition such as Bi[sub 2.15]Sr[sub 2]Ca[sub 0.85]Cu[sub 2]O[sub y].

  16. Melt processing of the Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub y} superconductor in oxygen and argon atmospheres

    SciTech Connect (OSTI)

    Holesinger, T.G.; Miller, D.J.; Chumbley, L.S.

    1992-08-01

    Solidification and subsequent annealing of Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub y} (2212) in oxygen and argon atmospheres were investigated in order to identify alternative processing routes for controlling microstructures and superconducting properties. In addition to 2212, several other phases formed on cooling in O{sub 2} and did not disappear upon subsequent annealing. Crystallization in Ar resulted in a divorced eutetic structure of Bi{sub 2}Sr{sub 3-x}Ca{sub x}O{sub y} and Cu{sub 2}O/CuO. The superconductor was formed on subsequent anneals. Samples melted in Ar and then annealed generally possessed a more uniform microstructure compared with samples that were melted in oxygen and annealed. Compositional measurements of the 2212 phase suggest that CaO segregation in the melt may be minimized with an overall composition such as Bi{sub 2.15}Sr{sub 2}Ca{sub 0.85}Cu{sub 2}O{sub y}.

  17. Facile synthesis of MoS{sub 2} and Mo{sub x}W{sub 1-x}S{sub 2} triangular monolayers

    SciTech Connect (OSTI)

    Lin, Zhong; Thee, Michael T.; Elías, Ana Laura; Feng, Simin; Fujisawa, Kazunori; Perea-López, Néstor; Carozo, Victor [Department of Physics and Center for 2Dimensional and Layered Materials, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States); Zhou, Chanjing [Department of Materials Science and Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States); Terrones, Humberto [Department of Physics, Applied Physics and Astronomy, Rensselaer Polytechnic Institute, Troy, New York 122180 (United States); Terrones, Mauricio, E-mail: mut11@psu.edu [Department of Physics and Center for 2Dimensional and Layered Materials, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States); Department of Materials Science and Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States); Department of Chemistry, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States)

    2014-09-01

    Single- and few-layered transition metal dichalcogenides, such as MoS{sub 2} and WS{sub 2}, are emerging two-dimensional materials exhibiting numerous and unusual physico-chemical properties that could be advantageous in the fabrication of unprecedented optoelectronic devices. Here we report a novel and alternative route to synthesize triangular monocrystals of MoS{sub 2} and Mo{sub x}W{sub 1-x}S{sub 2} by annealing MoS{sub 2} and MoS{sub 2}/WO{sub 3} precursors, respectively, in the presence of sulfur vapor. In particular, the Mo{sub x}W{sub 1-x}S{sub 2} triangular monolayers show gradual concentration profiles of W and Mo whereby Mo concentrates in the islands’ center and W is more abundant on the outskirts of the triangular monocrystals. These observations were confirmed by atomic force microscopy, and high-resolution transmission electron microscopy, as well as Raman and photoluminescence spectroscopy. The presence of tunable PL signals depending on the Mo{sub x}W{sub 1-x}S{sub 2} stoichiometries in 2D monocrystals opens up a wide range of applications in electronics and optoelectronics.

  18. Magnetic, dielectric, and magnetoelectric properties in Sr{sub 2}CoGe{sub 2}O{sub 7}

    SciTech Connect (OSTI)

    Song, Y. Q.; Li, Q.; Zhou, W. P.; Cao, Q. Q.; Wang, D. H. Du, Y. W.; Zhang, Z. M.; Xu, Q. Y.

    2015-05-07

    We investigate the magnetoelectric effect in Sr{sub 2}CoGe{sub 2}O{sub 7}, which has a two-dimensional magnetic interaction between Co ions in the ab plane. This compound shows a weak magnetism and field-induced magnetic transition below the temperature of 7?K. It does not exhibit electric polarization under zero magnetic field. However, by applying an external magnetic field, the electric polarization is induced around its Néel temperature and increases with increasing magnetic field. The induced electric polarization in Sr{sub 2}CoGe{sub 2}O{sub 7} is almost two orders of magnitude smaller than that of Ba{sub 2}CoGe{sub 2}O{sub 7}. This result suggests that the different ionic radius of the strontium and the barium anion plays a key role in determining the property of electric polarization. The origins of electric polarization and magnetoelectric effect are discussed.

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

    SciTech Connect (OSTI)

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

    2014-06-30

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

  20. High-temperature phase transformation and topochemical nature in ferroelastic (NH{sub 4}){sub 2}SO{sub 4}

    SciTech Connect (OSTI)

    Lee, Kwang-Sei; Oh, In-Hwan; Ko, Jae-Hyeon

    2014-04-01

    The electrical conductivity of ferroelastic ammonium sulfate (NH{sub 4}){sub 2}SO{sub 4} revealed an anomaly at around 130 °C (=403 K, T{sub P}) on heating with large and irreversible thermal hysteresis through thermal cycle. Ferroelastic domain walls and surface morphology of (NH{sub 4}){sub 2}SO{sub 4} were investigated by hot-stage polarizing microscopy. Structural phase transition from an orthorhombic ferroelastic phase to a hexagonal paraelastic phase was not identified at T{sub P} upon heating. On further heating above T{sub P}, microscopic spots appeared and grew on the crystal surface, suggesting that the high-temperature anomaly at T{sub P} was an indication of an onset of thermal decomposition controlled by topochemical factors. The increase of electrical conductivity above T{sub P} was attributed to proton migration. - Graphical abstract: Surface morphology of the (100) face of (NH{sub 4}){sub 2}SO{sub 4} on heating, showing chemical reaction at the surface. - Highlights: • We investigate the high-temperature phase transformation of ammonium sulfate. • The increasing conductivity upon heating is attributed to proton migration. • Structural phase transition from orthorhombic to hexagonal phase is not confirmed. • High-temperature anomaly is related to an onset of thermal decomposition. • The nature of the high-temperature anomaly is topochemical controlled by defects.

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

    DOE Patents [OSTI]

    Chen, Ching-Fong (Los Alamos, NM)

    2011-12-20

    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.

  2. QUANTIFYING NON-POINT SOURCES OF VOLATILE ORGANIC COMPOUNDS IN STORMWATER FROM A PARKING LOT

    E-Print Network [OSTI]

    1 QUANTIFYING NON-POINT SOURCES OF VOLATILE ORGANIC COMPOUNDS IN STORMWATER FROM A PARKING LOT (VOCs) in stormwater from an asphalt parking lot without obvious point sources (e.g. gasoline stations). The parking lot surface and atmosphere are important non-point sources of VOCs, with each being important

  3. Risk Management Based on Stochastic Volatility Ernst Eberlein, Jan Kallsen, Jrn Kristen

    E-Print Network [OSTI]

    Kallsen, Jan

    Risk Management Based on Stochastic Volatility Ernst Eberlein, Jan Kallsen, Jörn Kristen #3; University of Freiburg Abstract Risk management approaches that do not incorporate randomly changing and Keller (1995) can be applied quite easily for risk management purposes. Moreover, we compare

  4. Analysis of the atmospheric distribution, sources, and sinks of oxygenated volatile organic chemicals based on

    E-Print Network [OSTI]

    Jacob, Daniel J.

    chemicals based on measurements over the Pacific during TRACE-P H. B. Singh,1 L. J. Salas,1 R. B. Chatfield measurements of a large number of oxygenated volatile organic chemicals (OVOC) were carried out in the Pacific of OVOC is comparable to that of methane and far exceeds that of NMHC. A comparison of these data

  5. 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

  6. 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

  7. On the volatile inventory of Titan from isotopic abundances in nitrogen and methane

    E-Print Network [OSTI]

    Lorenz, Ralph D.

    On the volatile inventory of Titan from isotopic abundances in nitrogen and methane Jonathan I enhancement. The enrichment in deuterated methane is now much better determined than it was when Pinto et al dissociation rates of normal and deuterated methane. We utilize the improved data and models to compute initial

  8. Agriculture and Trade Opportunities for Tanzania: Past Volatility and Future Climate Changerode_672 429..447

    E-Print Network [OSTI]

    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 owing to supply shocks in major exporting regions, Tanzania may be able to export more maize at higher

  9. Biogenic volatile emissions from the soil J. Peuelas1,2

    E-Print Network [OSTI]

    Tholl, Dorothea

    Review Biogenic volatile emissions from the soil J. Peńuelas1,2 , D. Asensio1,2 , D. Tholl3 , K emissions to the atmosphere are often 1­2 (0­3) orders of magnitude lower than those from aboveground of microbial and root VOC emissions. Furthermore, VOC profiles are discussed as non-destructive fingerprints

  10. Bacterial volatiles promote growth in Arabidopsis Choong-Min Ryu*, Mohamed A. Farag

    E-Print Network [OSTI]

    Paré, Paul W.

    Bacterial volatiles promote growth in Arabidopsis Choong-Min Ryu*, Mohamed A. Farag , Chia-Hui Hu of agricultural species for the purposes of growth enhance- ment, including increased seed emergence, plant weight when seeds were coated with PGPR before planting (1), and plant weight of tuber-treated potatoes

  11. An empirical behavioral model of liquidity and volatility Szabolcs Mike and J. Doyne Farmer

    E-Print Network [OSTI]

    develop a behavioral model for liquidity and volatility based on empirical reg- ularities in trading order interesting regularities in the way trading orders are placed and cancelled. The resulting simple model of absolute returns |r| are well described by a power law of the form P(|r| > R) R-r , with a value of r

  12. Detecting Turning Points of Trading Price and Return Volatility for Market Surveillance Agents

    E-Print Network [OSTI]

    Cao, Longbing

    Trading agent concept is very useful for trading strategy design and market mechanism design for trading strategy design and market mechanism design [2]. Besides that, we are also particularly interestedDetecting Turning Points of Trading Price and Return Volatility for Market Surveillance Agents

  13. Seasonal Variation in Volatile Compound Profiles of Preen Gland Secretions of the Dark-eyed Junco

    E-Print Network [OSTI]

    Ketterson, Ellen D.

    (Junco hyemalis) Helena A. Soini & Sara E. Schrock & Kevin E. Bruce & Donald Wiesler & Ellen D. Ketterson (AED) were utilized to analyze seasonal changes in volatile components of preen oil secretions in Junco . Gas chromatography-mass spectrometry J Chem Ecol DOI 10.1007/s10886-006-9210-0 H. A. Soini :K. E

  14. Zero-Carbon Cloud: A Volatile Resource for High-Performance Computing Andrew A. Chien

    E-Print Network [OSTI]

    Krintz, Chandra

    to exploit the volatile power efficiently. Keywords-Data Center; Stranded Power; Green computing; sustainable deployment of renewable power generation creates a growing opportunity in "stranded power", power that is generated a close to zero-cost, but not usable by the power grid. We propose to use this stranded power

  15. Acquisition and analysis of volatile memory from android devices Joe Sylve a

    E-Print Network [OSTI]

    Richard III, Golden G.

    Acquisition and analysis of volatile memory from android devices Joe Sylve a , Andrew Case b 24 October 2011 Keywords: Android Memory forensics Memory analysis Linux Mobile device forensics a b s t r a c t The Android operating system for mobile phones, which is still relatively new, is rapidly

  16. Thursday, March 15, 2007 POSTER SESSION II: MOON: SOILS, POLES, AND VOLATILES

    E-Print Network [OSTI]

    Rathbun, Julie A.

    Thursday, March 15, 2007 POSTER SESSION II: MOON: SOILS, POLES, AND VOLATILES 6:30 p.m. Fitness Center Schultz R. A. Siddharthan R. Strength of Lunar Soil Using the Cam Cap Approach [#1127] We use a standard Cam Cap approach to model the strength of returned Apollo 12 lunar soil. Cohesion, friction

  17. Multi-scale Jump and Volatility Analysis for High-Frequency Financial Data

    E-Print Network [OSTI]

    Fan, Jianqing

    Multi-scale Jump and Volatility Analysis for High-Frequency Financial Data Jianqing Fan and Yazhen Wang Version of May 2007 Abstract The wide availability of high-frequency data for many financial-diffusion processes observed with market microstructure noise are frequently used to model high-frequency financial

  18. Large Volatility Matrix Inference via Combining Low-Frequency and High-Frequency Approaches

    E-Print Network [OSTI]

    Wang, Yazhen

    Large Volatility Matrix Inference via Combining Low-Frequency and High-Frequency Approaches Minjing adequate estimates and forecasts. Furthermore, since high-frequency financial data for different assets applicable. To overcome those difficulties we explore a novel approach that combines high-frequency

  19. Effects of NOx on the volatility of secondary organic aerosol from isoprene photooxidation

    SciTech Connect (OSTI)

    Xu, Lu; Kollman, Matthew S.; Song, Chen; Shilling, John E.; Ng, L. N.

    2014-01-28

    The effects of NOx on the volatility of the secondary organic aerosol (SOA) formed from isoprene photooxidation are investigated in environmental chamber experiments. Two types of experiments are performed. In HO2-dominant experiments, organic peroxy radicals (RO2) primarily react with HO2. In mixed experiments, RO2 reacts through multiple pathways. The volatility and oxidation state of isoprene SOA is sensitive to and displays a non-linear dependence on NOx levels. When initial NO/isoprene ratio is approximately 3 (ppbv:ppbv), SOA are shown to be most oxidized and least volatile, associated with the highest SOA yield. A High-Resolution Time-of-Flight Aerosol Mass Spectrometer (HR-ToF-AMS) is applied to characterize the key chemical properties of aerosols. While the composition of SOA in mixed experiments does not change substantially over time, SOA become less volatile and more oxidized as oxidation progresses in HO2-dominant experiments. Analysis of the SOA composition suggests that the further reactions of organic peroxides and alcohols may produce carboxylic acids, which might play a strong role in SOA aging.

  20. 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 depends critically on the specification and estimation of the stochastic process that describes the price path. Accurate valuation of claims based on competitive electricity prices has proved problematic

  1. Sulfur Volatiles in Guava (Psidium guajava L.) Leaves: Possible Defense Mechanism

    E-Print Network [OSTI]

    Burns, Jacqueline K.

    dioxide, methanethiol, dimethyl sulfide (DMS), dimethyl disulfide (DMDS), methional, and dimethyl-Wax, and PLOT columns and MS spectra in the case of DMDS and DMS. DMDS is an insect toxic, defensive volatile for the protective effect of guava against the HLB vector. DMDS is formed immediately after crushing, becoming

  2. Volatile fatty acid fermentation of AFEX-treated newspaper and bagasse by rumen microorganisms 

    E-Print Network [OSTI]

    Blasig, Jorge Dari?o

    1991-01-01

    production vatied between 6. 6 and 8. 2 mmoles/g volatile solids (VS) digested and biogas (approximately 40% methane ranged from 0. 18 and 0. 29 L/g VS digested for organic waste materials of various origin and composition. The loading rates varied between...

  3. SUB-POPULATION BRAIN ATLASES

    E-Print Network [OSTI]

    Thompson, Paul

    SUB-POPULATION BRAIN ATLASES Paul Thompson PhD, Michael S. Mega MD PhD, and Arthur W. Toga PhD Laboratory of Neuro Imaging, Brain Mapping Division and Alzheimer's Disease Center Dept. of Neurology, UCLA School of Medicine, Los Angeles, CA 90095-1769 A Chapter in: Brain Mapping: The Methods (2nd Edition

  4. Method of producing superconducting fibers of YBa[sub 2]Cu[sub 3]O[sub x

    DOE Patents [OSTI]

    Schwartzkopf, L.A.; Ostenson, J.E.; Finnemore, D.K.

    1990-11-13

    Fibers of YBa[sub 2]Cu[sub 3]O[sub x] have been produce by pendant drop melt extraction. This technique involves the end of a rod of YBa[sub 2]Cu[sub 3]O[sub x] melted with a hydrogen-oxygen torch, followed by lowering onto the edge of a spinning wheel. The fibers are up to 10 cm in length with the usual lateral dimensions, ranging from 20 [mu]m to 125 [mu]m. The fibers require a heat treatment to make them superconducting.

  5. Uncatalysed and catalysed soot combustion under NO{sub x} + O{sub 2}: Real diesel versus model soots

    SciTech Connect (OSTI)

    Atribak, I.; Bueno-Lopez, A.; Garcia-Garcia, A.

    2010-11-15

    In this work, the uncatalysed and catalysed combustion of two commercial carbon blacks and three diesel soot samples were analysed and related to the physico-chemical properties of these carbon materials. Model soot samples are less reactive than real soot samples, which can be attributed, mainly, to a lower proportion in heteroatoms and a higher graphitic order for the case of one of the carbon blacks. Among the diesel soot samples tested, the most relevant differences are the volatile matter/fixed carbon contents, which are directly related to the engine operating conditions (idle or loaded) and to the use of an oxidation catalyst or not in the exhaust. The soot collected after an oxidation catalyst (A-soot) is more reactive than the counterpart virgin soot obtained under the same engine operating modes but before the oxidation catalyst. The reactivity of the different soot samples follows the same trend under uncatalysed and catalysed combustion, the combustion profiles being always shifted towards lower temperatures for the catalysed reactions. The differences between the soot samples become less relevant in the presence of a catalyst. The ceria-zirconia catalysts tested are very effective not only to oxidise soot but also to combust the soluble organic fraction emitted at low temperatures. The most reactive soot (A-soot) exhibits a T{sub 50%} parameter of 450 C when using the most active catalyst. (author)

  6. 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 Zhu, Kongjun; Wu, Xia; Deng, Chaoyong; Peng, Renci; Wang, Jianjun

    2014-08-15

    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.

  7. Effect of SO<sub>2sub> on oxidation of metallic materials in CO<sub>2sub>/H>2sub>O-rich gases relevant to oxyfuel environments

    SciTech Connect (OSTI)

    Huczkowski, P.; Olszewski, T.; Schiek, M.; Lutz, B.; Holcomb, G.; Shemet, V.; Meier, G. H.; Singheiser, L.; Quadakkers, W. J.

    2012-09-19

    This report is a description of research performed by the Jülich Research Centre. Their conclusions outline the effects of SO<sub>2sub> additions on oxide formations and the interaction of other gases in oxvyfuel environments.

  8. Band alignment and electrical properties of Al{sub 2}O{sub 3}/?-Ga{sub 2}O{sub 3} heterojunctions

    SciTech Connect (OSTI)

    Kamimura, Takafumi Hoi Wong, Man; Krishnamurthy, Daivasigamani; Higashiwaki, Masataka; Sasaki, Kohei; Kuramata, Akito; Yamakoshi, Shigenobu; Masui, Takekazu

    2014-05-12

    The band alignment of Al{sub 2}O{sub 3}/n-Ga{sub 2}O{sub 3} was investigated by x-ray photoelectron spectroscopy (XPS). With a band gap of 6.8?±?0.2?eV measured for Al{sub 2}O{sub 3}, the conduction and valence band offsets at the interface were estimated to be 1.5?±?0.2?eV and 0.7?±?0.2?eV, respectively. The conduction band offset was also obtained from tunneling current in Al{sub 2}O{sub 3}/n-Ga{sub 2}O{sub 3} (2{sup Ż}01) metal-oxide-semiconductor (MOS) diodes using the Fowler-Nordheim model. The electrically extracted value was in good agreement with the XPS data. Furthermore, the MOS diodes exhibited small capacitance-voltage hysteresis loops, indicating the successful engineering of a high-quality Al{sub 2}O{sub 3}/Ga{sub 2}O{sub 3} interface.

  9. Location of trivalent lanthanide dopant energy levels in (Lu{sub 0.5}Gd{sub 0.5}){sub 2}O{sub 3}

    SciTech Connect (OSTI)

    Retot, H.; Viana, B.; Bessiere, A.; Galtayries, A.

    2011-06-15

    The location of Ln{sup 3+} dopant energy levels relative to bands in (Lu{sub 0.5}Gd{sub 0.5}){sub 2}O{sub 3} was studied. A several-steps analysis of XPS measurements on heavy lanthanides sesquioxides Ln{sub 2}O{sub 3} (Ln = Gd, Tb, Dy, Er, Tm, Yb, Lu) and on Sc{sub 2}O{sub 3} and Y{sub 2}O{sub 3} reference materials were used to locate Ln{sup 3+} dopant ground state relative to the top of the valence band in (Lu{sub 0.5}Gd{sub 0.5}){sub 2}O{sub 3} within an error bar of {+-}0.4 eV. The agreement between XPS data and model was found improved relative to previous studies. When compared to XPS analysis, prediction based on optical absorption shows a slight underestimation attributed to the lack of precision in Ce{sup 4+} charge transfer band measurement.

  10. 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)

    2012-04-15

    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.

  11. Crystal structures and luminescence properties of novel compounds K{sub 4}M{sub 2}[Al{sub 2}Si{sub 8}O{sub 24}] (M = Ce, Gd)

    SciTech Connect (OSTI)

    Aksenov, S. M., E-mail: aks.crys@gmail.com [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation); Rassulov, V. A. [Russian Academy of Sciences, Fedorovsky All-Russian Research Institute of Mineral Resources (Russian Federation)] [Russian Academy of Sciences, Fedorovsky All-Russian Research Institute of Mineral Resources (Russian Federation); Rastsvetaeva, R. K. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation)] [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation); Taroev, V. K. [Russian Academy of Sciences, Institute of Geochemistry, Siberian Branch (Russian Federation)] [Russian Academy of Sciences, Institute of Geochemistry, Siberian Branch (Russian Federation)

    2013-11-15

    Two novel potassium rare earth silicates, obtained by hydrothermal synthesis, have been investigated by X-ray diffraction and described by the general formula K{sub 4}M{sub 2}[Al{sub 2}Si{sub 8}O{sub 24}] (M = Ce, Gd). The parameters of the monoclinic K{sub 4}Ce{sub 2}[Al{sub 2}Si{sub 8}O{sub 24}] and K{sub 4}Gd{sub 2}[Al{sub 2}Si{sub 8}O{sub 24}] cells are, respectively, as follows: a = 26.867(1), 26.6520(2) A; b = 7.4150(2), 7.2854(1) A; c = 14.910(1), 14.8182(1) A; {beta} = 123.52(1) Degree-Sign , 123.46(1) Degree-Sign ; and sp. gr. P2{sub 1}/n. The structures are solved by the charge flipping method and refined in the anisotropic approximation of thermal vibrations for atoms to R = 5.2 and 2.5%, respectively. The compounds under study are crystallized into a new structural type, which is based on two-level [Al{sub 2}Si{sub 8}O{sub 24}] layers, combined into a three-dimensional framework by columns of edge-sharing seven-vertex REE polyhedra. Potassium atoms are located in the framework channels. The spectral luminescence characteristics are determined. The luminescence bands are typical of Gd{sup 3+} and Ce{sup 3+} ions. Upon excitation by light with {lambda}{sub exc} = 246 nm, a band due to the {sup 2}D {yields} {sup 8}F{sub 5/2} transition with {lambda}{sub max} = 430 nm is observed in the spectrum of K{sub 4}Ce{sub 2}[Al{sub 2}Si{sub 8}O{sub 24}] and a band related to the {sup 6}P{sub 7/2} {yields} {sup 8}S{sub 7/2} transition with {lambda}{sub max} = 311 nm is observed in the spectrum of K{sub 4}Gd{sub 2}[Al{sub 2}Si{sub 8}O{sub 24}].

  12. Solid-state reaction preparation and photoluminescence properties of Na{sub 2}Ba{sub 6}(Si{sub 2}O{sub 7})(SiO{sub 4}){sub 2}:Eu{sup 2+} phosphors

    SciTech Connect (OSTI)

    Shi, Pinglu; Xia, Zhiguo, E-mail: xiazg@cugb.edu.cn

    2014-01-01

    Graphical abstract: - Highlights: • Green-emitting phosphor powder Na{sub 2}Ba{sub 6}(Si{sub 2}O{sub 7})(SiO{sub 4}){sub 2}:Eu{sup 2+} was synthesized. • Two different emission centers occupied by Eu{sup 2+} were investigated. • The concentration quenching mechanism was studied. - Abstract: A kind of novel green-emitting phosphor Na{sub 2}Ba{sub 6}(Si{sub 2}O{sub 7})(SiO{sub 4}){sub 2}:Eu{sup 2+} was synthesized by a solid-state reaction. The phase formation of as-prepared sample was investigated by X-ray powder diffraction. The photoluminescence emission (PL) and excitation (PLE) spectra results indicated that the phosphor could be efficiently excited by ultraviolet (UV) light from 240 to 400 nm, and presented a broad green emission band with two-band profile suggesting two different emission centers occupied by Eu{sup 2+}. The critical quenching concentration of Eu{sup 2+} was determined to be 0.01 mol and the concentration quenching mechanism was also investigated.

  13. Response of fine particulate matter to emission changes of oxides of nitrogen and anthropogenic volatile organic compounds in the eastern United States

    SciTech Connect (OSTI)

    Alexandra P. Tsimpidi; Vlassis A. Karydis; Spyros N. Pandis

    2008-11-15

    A three-dimensional chemical transport model (Particulate Matter Comprehensive Air Quality Model with Extensions) is used to investigate changes in fine particle (PM2.5) concentrations in response to 50% emissions changes of oxides of nitrogen (NOx) and anthropogenic volatile organic compounds (VOCs) during July 2001 and January 2002 in the eastern United States. The reduction of NOx emissions by 50% during the summer results in lower average oxidant levels and lowers PM2.5 (8% on average), mainly because of reductions of sulfate (9-11%), nitrate (45-58%), and ammonium (7-11%). The organic particulate matter (PM) slightly decreases in rural areas, whereas it increases in cities by a few percent when NOx is reduced. Reduction of NOx during winter causes an increase of the oxidant levels and a rather complicated response of the PM components, leading to small net changes. Sulfate increases (8-17%), nitrate decreases (18-42%), organic PM slightly increases, and ammonium either increases or decreases a little. The reduction of VOC emissions during the summer causes on average a small increase of the oxidant levels and a marginal increase in PM2.5. This small net change is due to increases in the inorganic components and decreases of the organic ones. Reduction of VOC emissions during winter results in a decrease of the oxidant levels and a 5-10% reduction of PM2.5 because of reductions in nitrate (4-19%), ammonium (4-10%), organic PM (12-14%), and small reductions in sulfate. Although sulfur dioxide (SO{sub 2}) reduction is the single most effective approach for sulfate control, the coupled decrease of SO{sub 2} and NOx emissions in both seasons is more effective in reducing total PM2.5 mass than the SO{sub 2} reduction alone. 34 refs., 7 figs., 1 tab.

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

    SciTech Connect (OSTI)

    He, Jie; Li, Qing-Jie; Fan, Yi-Ning

    2013-06-15

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

  15. Structural and magnetic properties of triethylene glycol stabilized Zn{sub x}Co{sub 1?x}Fe{sub 2}O{sub 4} nanoparticles

    SciTech Connect (OSTI)

    Sozeri, H.; Durmus, Z.; Baykal, A.

    2012-09-15

    Highlights: ? Monodispersed TREG stabilized Zn{sub x}Co{sub 1?x}Fe{sub 2}O{sub 4} NP's were prepared via hydrothermal method. ? Zn{sub x0.6}Co{sub 0.4}Fe{sub 2}O{sub 4} NP's has superparamagnetic behavior like absence of saturation at high fields. ? The lattice parameter (a{sub o}) increases linearly with the addition of Zn and follows Vegard's law. -- Abstract: Zn substituted cobalt ferrite nanoparticles having formula of Zn{sub x}Co{sub 1?x}Fe{sub 2}O{sub 4} (x = 0.0–1.0) were prepared by hydrothermal technique. In this process, triethylene glycol was used as a solvent and surfactant, anhydrous sodium hydroxide was used as an alkalinity additive. Investigation of the structural, morphological and thermal properties were carried out using X-ray diffraction (XRD), infrared spectroscopy (FT-IR), transmission electron spectroscopy (TEM) and thermal analysis (TGA) respectively. The X-ray diffraction study reveals that the lattice constant of cobalt ferrite increases with the increase of Zn content. Magnetization measurements showed that as zinc concentration increases saturation magnetization initially stays constant and then decreases monotically. Samples having high zinc concentration (x ? 0.6) have superparamagnetic behavior like absence of saturation at high fields, low saturation magnetization values and immeasurable coercivity. These features were explained by surface spin disorder and canted spins.

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

    SciTech Connect (OSTI)

    Pal, Koushik; Waghmare, Umesh V.

    2014-08-11

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

  17. Influence of calcium content of biomass-based materials on simultaneous NOx and SO{sub 2} reduction

    SciTech Connect (OSTI)

    Sarma V. Pisupati; Sumeet Bhalla [Pennsylvania State University, University Park, PA (United States). Energy and Mineral Engineering Department

    2008-04-01

    Pyrolysis products of biomass (bio-oils) have been shown to cause a reduction in NOx emissions when used as reburn fuels in combustion systems. When these bio-oils are processed with lime, calcium is ion-exchanged and the product is called BioLime. BioLime, when introduced into a combustion chamber, pyrolyzes and produces volatile products that reduce NOx emissions through reburn mechanisms. Simultaneously, calcium reacts with SO{sub 2} to form calcium sulfate and thus reduces SO{sub 2} emissions. This paper reports the characterization of composition and pyrolysis behavior of two BioLime products and the influence of feedstock on pyrolysis products. Thermogravimetric analysis (TGA) and {sup 13}C-CP/MAS NMR techniques were used to study the composition of two biomass-based materials. The composition of the pyrolysis products of BioLime was determined in a laboratory scale flow reactor. The effect of BioLime composition on NOx and SO{sub 2} reduction performance was evaluated in a 146.5 kW pilot-scale, down fired combustor (DFC). The effect of pyrolysis gas composition on NOx reduction is discussed. The TGA weight loss curves of BioLime samples in an inert atmosphere showed two distinct peaks corresponding to the decomposition of light and heavy components of the BioLime and a third distinct peak corresponding to secondary thermal decomposition of char. The study also showed that BioLime sample with lower content of residual lignin derivatives and lower calcium content produced more volatile compounds upon pyrolysis in the combustor and achieved higher NOx reduction (15%). Higher yields of pyrolysis gases increased the NO reduction potential of BioLime through homogeneous gas phase reactions. Calcium in BioLime samples effectively reduced SO{sub 2} emissions (60-85%). 36 refs., 6 figs., 3 tabs.

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

    SciTech Connect (OSTI)

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

    2014-05-07

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

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

    SciTech Connect (OSTI)

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

    2014-02-01

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

  20. Light Transmission through Sub-Wavelength Apertures

    E-Print Network [OSTI]

    Visser, Taco D.

    Light Transmission through Sub-Wavelength Apertures #12;#12;VRIJE UNIVERSITEIT Light Transmission Transmission through a Single Sub-wavelength Slit 59 3.1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60 3.2 The configuration . . . . . . . . . . . . . . . . . . . . . . . . . . . . 61 3.3 Transmission

  1. BIOMECHANICAL ENGINEERING SubPlan Requirements

    E-Print Network [OSTI]

    Cafarella, Michael J.

    BIOMECHANICAL ENGINEERING SubPlan Requirements Campus: UMICH RG = Requirement Group Career:UENG RQ = Requirement Program: LN = Line Plan: 0880BSE Sub-Plan: BIOMECH RG 6860 BIOMECHANICAL CONCENTRATION

  2. Electron backscatter diffraction analysis of gold nanoparticles on Y{sub 1}Ba{sub 2}Cu{sub 3}O{sub 7??}

    SciTech Connect (OSTI)

    Bochmann, A.; Teichert, S.; Katzer, C.; Schmidl, F.

    2015-06-07

    It has been shown recently that the incorporation of gold nanoparticles into Y{sub 1}Ba{sub 2}Cu{sub 3}O{sub 7??} enhances the superconducting properties of this material in a significant way. Previous XRD and TEM investigations suggest different crystallographic relations of the gold nanoparticles with respect to the epitaxial Y{sub 1}Ba{sub 2}Cu{sub 3}O{sub 7??}. Here, detailed investigations of the crystal orientations for a large ensemble of gold nanoparticles with electron backscatter diffraction are reported. The average size of the gold nanoparticles is in the range of 60?nm–80?nm. We identified five different types of heteroepitaxial relationships between the gold nanoparticles and the superconductor film, resulting in complex pole figures. The observed different types of crystallographic orientations are discussed based on good lattice matching and the formation of low energy interfaces.

  3. Novel CO<sub>2sub> Foam Concepts and Injection Schemes for Improving CO<sub>2sub> Sweep Efficiency in Sandstone and Carbonate Hydrocarbon Formations

    SciTech Connect (OSTI)

    Nguyen, Quoc; Hirasaki, George; Johnston, Keith

    2015-02-05

    We explored cationic, nonionic and zwitterionic surfactants to identify candidates that have the potential to satisfy all the key requirements for CO<sub>2sub> foams in EOR. We have examined the formation, texture, rheology and stability of CO<sub>2sub> foams as a function of the surfactant structure and formulation variables including temperature, pressure, water/CO<sub>2 sub>ratio, surfactant concentration, salinity and concentration of oil. Furthermore, the partitioning of surfactants between oil and water as well as CO<sub>2sub> and water was examined in conjunction with adsorption measurements on limestone by the Hirasaki lab to develop strategies to optimize the transport of surfactants in reservoirs.

  4. 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)

    2000-01-01

    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.

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

    SciTech Connect (OSTI)

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

    1999-01-01

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

  6. Chemical stability of melt-cast refractories in K/sub 2/S/sub 2/O/sub 7/-V/sub 2/O/sub 5/ melt

    SciTech Connect (OSTI)

    Abanin, V.I.; Federov, A.A.; Malyavin, A.G.; Ketov, A.N.

    1983-02-20

    Melts based on V/sub 2/O/sub 5/ are promising as catalysts for conversion of sulfur dioxide and thermocatalytic decomposition of spent sulfuric acid. The high chemical activity of such media with respect to metallic materials necessitates development of new materials of construction not based on metals. The purpose of the present work was to study the influence the composition and structure of melt-cast refractories on their chemical stability in K/sub 2/S/sub 2/O/sub 7/-V/sub 2/O/sub 5/ melts. The chemical stability of refractories based on SiO/sub 2/ in K/sub 2/S/sub 2/O/sub 7/-V/sub 2/O/sub 5/ melt is raised by the presence of chain calcium silicates with pyroxene and pyroxenoid chains, and lowered in presence of the oxides of zirconium, zinc, and cobalt in the materials. Fused quartz, cor-93, cast stone of diopside composition, and basalt-dolomite cast stone have high chemical stability in K/sub 2/S/sub 2/O/sub 7/-V/sub 2/O/sub 5/ melt and can be recommended as construction materials for equipment used for thermocatalytic decomposition of spent sulfuric acid.

  7. High Schottky barrier at grain boundaries observed in Na{sub 1/2}Sm{sub 1/2}Cu{sub 3}Ti{sub 4}O{sub 12} ceramics

    SciTech Connect (OSTI)

    Somphan, Weeraya; Thongbai, Prasit; Yamwong, Teerapon; Maensiri, Santi

    2013-10-15

    Graphical abstract: - Highlights: • NSCTO exhibits a high ?? of 7.0–8.4 × 10{sup 3} and low tan ? of 0.030–0.041. • NSCTO exhibits a high E{sub b} of ?2208 V cm{sup ?1} and large ? of 15.6. • Giant ?? response is attributed to the electrically heterogeneous microstructure. • High ?{sub b} values at grain boundaries are found to be 0.925–0.964 eV. • Formation of a potential barrier at grain boundaries is caused by Schottky effect. - Abstract: The dielectric properties and nonlinear current–voltage characteristics of Na{sub 1/2}Sm{sub 1/2}Cu{sub 3}Ti{sub 4}O{sub 12} ceramics prepared by a conventional solid state reaction method were investigated. Na{sub 1/2}Sm{sub 1/2}Cu{sub 3}Ti{sub 4}O{sub 12} ceramics exhibited a high dielectric permittivity of 7.0–8.4 × 10{sup 3} and low loss tangent (tan ??0.030–0.041). Non-Ohmic properties with a high breakdown voltage of ?2208 V cm{sup ?1} and large nonlinear coefficient of 15.6 were observed in Na{sub 1/2}Sm{sub 1/2}Cu{sub 3}Ti{sub 4}O{sub 12} ceramics. Using complex impedance analysis, Na{sub 1/2}Sm{sub 1/2}Cu{sub 3}Ti{sub 4}O{sub 12} ceramics were shown to be electrically heterogeneous consisting of semiconducting grains and insulating grain boundaries. Giant dielectric properties were described based on the electrically heterogeneous microstructure. X-ray photoelectron spectroscopy analysis suggested that the semiconductive nature of grains may be related to the presence of Cu{sup +} and Ti{sup 3+}. The formation of an electrostatic potential barrier at the grain boundaries of Na{sub 1/2}Sm{sub 1/2}Cu{sub 3}Ti{sub 4}O{sub 12} ceramics was suggested to be caused by the Schottky effect. Interestingly, high electrostatic potential barriers at grain boundaries in Na{sub 1/2}Sm{sub 1/2}Cu{sub 3}Ti{sub 4}O{sub 12} ceramics were calculated and found to be 0.925–0.964 eV.

  8. Growth of large-domain YBa{sub 2}Cu{sub 3}O{sub x} with new seeding crystals of CaNdAlO{sub 4} and SrLaGaO{sub 4}.

    SciTech Connect (OSTI)

    Shi, D.; Hull, J. R.; LeBlanc, D.; LeBlanc, M. A. R.; Dabkowski, A.; Chang, Y.; Jiang, Y.; Zhang, Z.; Fan, H.; Energy Technology; Univ. of Cincinnati; Univ. of Ottawa; McMaster Univ.; Chinese Academy of Sciences

    1995-05-10

    Single crystals of CaNdAlO{sub 4} and SrLaGaO{sub 4} were used as seeds to grow large domains of YBa{sub 2}Cu{sub 3}O{sub x} for levitation applications. These crystals have high melting temperatures (> 1500 C) and similar lattice structures to that of YBa{sub 2}Cu{sub 3}O{sub x}. In a seeded melt-texturing method developed previously, the single crystals of CaNdAlO{sub 4}, SrLaGaO{sub 4}, and NdBa{sub 2}Cu{sub 3}O{sub x} were used as seeds for comparison. After melt processing, scanning electron microscopy analysis did not reveal any major differences in all these seeded melt-textured samples. However, the levitation forces in the samples seeded with single crystals of CaNdAlO{sub 4} and SrLaGaO{sub 4} increased considerably compared to that of the sample seeded with NdBa{sub 2}Cu{sub 3}O{sub x}. A model is proposed to describe the domain growth mechanism during seeded melt processing.

  9. Evaluating Impacts of CO<sub>2sub> Intrusion into an Unconsolidated Aquifer. I. Experimental Data

    SciTech Connect (OSTI)

    Lawter, Amanda R.; Qafoku, Nikolla; Wang, Guohui; Shao, Hongbo; Brown, Christopher F.

    2015-08-04

    Capture and deep subsurface sequestration of CO<sub>2sub> has been identified as a potential mitigation technique for rising atmospheric CO<sub>2sub> concentrations. Sequestered CO<sub>2sub> represents a potential risk to overlying aquifers if the CO<sub>2sub> leaks from the deep storage reservoir. Batch and column experiments combined with wet chemical extractions were conducted to evaluate these risks to groundwater quality and to understand effects of CO<sub>2sub> leakage on aquifer chemistry and mineralogy. Sediments from the High Plains aquifer in Kansas, a confined sandstone aquifer, were used to study time-dependent release of major, minor and trace elements when exposed to CO<sub>2sub> gas. Results showed that Ca, Ba, Si, Mg, Sr, Na, and K increased either instantaneously or followed nonlinear increasing trends with time, indicating dissolution and/or desorption reactions controlled their release. Other elements, such as Mn and Fe, were also released from all sediments, creating a potential for redox reactions to occur. Results from acid extractions confirmed sediments had appreciable amounts of contaminants that may potentially be released into the aqueous phase. However, results from the batch and column experiments demonstrated that only a few trace elements (e.g., As, Cu, Cr, Pb) were released, indicating the risk of groundwater quality degradation due to exposure to leakage of sequestered CO<sub>2sub> is low. Concentrations of Mo were consistently higher in the control experiments (absence of CO<sub>2sub>) and were below detection in the presence of CO<sub>2sub> indicating a possible benefit of CO<sub>2sub> in groundwater aquifers. These investigations will provide useful information to support site selection, risk assessment, and public education efforts associated with geological CO<sub>2sub> storage and sequestration.

  10. White light generation from Dy{sup 3+}-doped ZnO-B{sub 2}O{sub 3}-P{sub 2}O{sub 5} glasses

    SciTech Connect (OSTI)

    Jayasimhadri, M.; Jang, Kiwan; Lee, Ho Sueb; Chen, Baojiu; Yi, Soung-Soo; Jeong, Jung-Hyun

    2009-07-01

    Dysprosium doped ZnO-B{sub 2}O{sub 3}-P{sub 2}O{sub 5} (ZBP) glasses were prepared by a conventional melt quenching technique in order to study the luminescent properties and their utility for white light emitting diodes (LEDs). X-ray diffraction spectra revealed the amorphous nature of the glass sample. The present glasses were characterized by infrared and Raman spectra to evaluate the vibrational features of the samples. The emission and excitation spectra were reported for the ZBP glasses. Strong blue (484 nm) and yellow (574 nm) emission bands were observed upon various excitations. These two emissions correspond to the {sup 4}F{sub 9/2}->{sup 6}H{sub 15/2} and {sup 4}F{sub 9/2}->{sup 6}H{sub 13/2} transitions of Dy{sup 3+} ions, respectively. Combination of these blue and yellow bands gives white light to the naked eye. First time, it was found that ZnO-B{sub 2}O{sub 3}-P{sub 2}O{sub 5} glasses efficiently emit white light under 400 and 454 nm excitations, which are nearly match with the emissions of commercial GaN blue LEDs and InGaN LED, respectively. CIE chromaticity coordinates also calculated for Dy{sup 3+}: ZBP glasses to evaluate the white light emission.

  11. 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.; /SIMES, Stanford /SLAC /Stanford U., Geballe Lab.

    2014-11-12

    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>.

  12. CO<sub>2sub> hydrogenation to formate and methanol as an alternative to photo- and electrochemical CO<sub>2sub> reduction

    SciTech Connect (OSTI)

    Wang, Wan -Hui; Himeda, Yuichiro; Muckerman, James T.; Manbeck, Gerald F.; Fujita, Etsuko

    2015-09-03

    In this study, carbon dioxide is one of the end products of combustion, and is not a benign component of the atmosphere. The concentration of CO<sub>2sub> in the atmosphere has reached unprecedented levels and continues to increase owing to an escalating rate of fossil fuel combustion, causing concern about climate change and rising sea levels. In view of the inevitable depletion of fossil fuels, a possible solution to this problem is the recycling of carbon dioxide, possibly captured at its point of generation, to fuels. Researchers in this field are using solar energy for CO<sub>2sub> activation and utilization in several ways: (i) so-called artificial photosynthesis using photo-induced electrons; (ii) bulk electrolysis of a CO<sub>2sub> saturated solution using electricity produced by photovoltaics; (iii) CO<sub>2sub> hydrogenation using solar-produced H<sub>2sub>; and (iv) the thermochemical reaction of metal oxides at extremely high temperature reached by solar collectors. Since the thermodynamics of CO<sub>2sub> at high temperature (> 1000 şC) are quite different from those near room temperature, only chemistry below 200 şC is discussed in this review.

  13. Synthesis and hydration behavior of calcium zirconium aluminate (Ca{sub 7}ZrAl{sub 6}O{sub 18}) cement

    SciTech Connect (OSTI)

    Kang, Eun-Hee [Department of Materials Science and Engineering, Research Institute of Advanced Materials, Seoul National University, Seoul 151-744 (Korea, Republic of)] [Department of Materials Science and Engineering, Research Institute of Advanced Materials, Seoul National University, Seoul 151-744 (Korea, Republic of); Yoo, Jun-Sang [Department of Oral and Maxillofacial Surgery, School of Dentistry, Seoul National University, Seoul 110-749 (Korea, Republic of)] [Department of Oral and Maxillofacial Surgery, School of Dentistry, Seoul National University, Seoul 110-749 (Korea, Republic of); Kim, Bo-Hye; Choi, Sung-Woo [Department of Materials Science and Engineering, Research Institute of Advanced Materials, Seoul National University, Seoul 151-744 (Korea, Republic of)] [Department of Materials Science and Engineering, Research Institute of Advanced Materials, Seoul National University, Seoul 151-744 (Korea, Republic of); Hong, Seong-Hyeon, E-mail: shhong@snu.ac.kr [Department of Materials Science and Engineering, Research Institute of Advanced Materials, Seoul National University, Seoul 151-744 (Korea, Republic of)] [Department of Materials Science and Engineering, Research Institute of Advanced Materials, Seoul National University, Seoul 151-744 (Korea, Republic of)

    2014-02-15

    Calcium zirconium aluminate (Ca{sub 7}ZrAl{sub 6}O{sub 18}) cements were prepared by solid state reaction and polymeric precursor methods, and their phase evolution, morphology, and hydration behavior were investigated. In polymeric precursor method, a nearly single phase Ca{sub 7}ZrAl{sub 6}O{sub 18} was obtained at relatively lower temperature (1200 °C) whereas in solid state reaction, a small amount of CaZrO{sub 3} coexisted with Ca{sub 7}ZrAl{sub 6}O{sub 18} even at higher temperature (1400 °C). Unexpectedly, Ca{sub 7}ZrAl{sub 6}O{sub 18} synthesized by polymeric precursor process was the large-sized and rough-shaped powder. The planetary ball milling was employed to control the particle size and shape. The hydration behavior of Ca{sub 7}ZrAl{sub 6}O{sub 18} was similar to that of Ca{sub 3}Al{sub 2}O{sub 6} (C3A), but the hydration products were Ca{sub 3}Al{sub 2}O{sub 6}·6H{sub 2}O (C3AH6) and several intermediate products. Thus, Zr (or ZrO{sub 2}) stabilized the intermediate hydration products of C3A.

  14. 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; Xie, Rong-Jun; Hirosaki, Naoto; Dierre, Benjamin; Sekiguchi, Takashi

    2013-11-15

    Blue-emitting Sr{sub 1?x}Eu{sub x}Si{sub 9}Al{sub 19}ON{sub 31} phosphors were synthesized at 1800 °C for 2 h under 1 MPa N{sub 2} by using the gas-pressure sintering method (GPS). The microstructure, photoluminescence (PL) properties of the prepared phosphors were investigated. Under the 290 nm excitation, broad PL emission bands with peak positions at 448–490 nm were detected. The concentration quenching was not observed owing to the large distance betweenEu{sup 2+} ions that made the nonradiative energy transfer between neighboring Eu{sup 2+} ions difficult. The blue phosphor generally showed a small thermal quenching at low Eu{sup 2+} concentrations. The absorption and external quantum efficiency of the synthesized Sr{sub 0.5}Eu{sub 0.5}Si{sub 9}Al{sub 19}ON{sub 31} were 85% and 62% upon the 365 nm excitation, respectively. The interesting PL results indicate that Sr{sub 1?x}Eu{sub x}Si{sub 9}Al{sub 19}ON{sub 31} has great potentials as a blue phosphor for white LEDs applications. - Graphical abstract: Sr{sub 0.7}Eu{sub 0.3}Si{sub 9}Al{sub 19}ON{sub 31} gives blue-emitting at 471 nm. Excitation spectrum is composed of five bands in the range of 250–450 nm, which are matching well with emission wavelength of UV LEDs. Display Omitted - Highlights: • Blue-emitting Sr{sub 1?x}Eu{sub x}Si{sub 9}Al{sub 19}ON{sub 31} phosphors were synthesized by gas-pressure sintering method. • The concentration quenching was not observed in this phosphor. • This blue phosphor generally showed a small thermal quenching at low Eu{sup 2+} concentrations. • The absorption and external quantum efficiency of the synthesized Sr{sub 0.5}Eu{sub 0.5}Si{sub 9}Al{sub 19}ON{sub 31} were 85% and 62% upon the 365 nm excitation.

  15. Photoluminescence in Pb{sub 0.95}Sr{sub 0.05}(Zr{sub 1?x}Ti{sub x}){sub 1?y}Cr{sub y}O{sub 3} ferroelectric ceramic system

    SciTech Connect (OSTI)

    Hernández-García, M.; Costa-Marrero, J.; Durruthy-Rodríguez, M. D.; Calderón-Pińar, F.; Guerra, J. D. S.; Yańez-Limón, J. M.

    2014-07-28

    Over the past several years, there has been a remarkable growth and development in new ceramic and/or composite materials to be used in the electro-electronic industry. Ferroelectric materials have been recognized for their multifunctional physical properties; also, their optical properties are a subject of intense research effort due to their possible electro-optic applications. In this work, the visible photoluminescence effect is analyzed at room temperature in a sintered Pb{sub 0.95}Sr{sub 0.05}(Zr{sub 1?x}Ti{sub x}){sub 1?y}Cr{sub y}O{sub 3} perovskite-type structure system, doped with Sr and Cr. The excitation bands used were 267, 325, 373, 457, 635, and 680?nm, but the best result was obtained at 373?nm. The intensity and energy of such emission in this system have been studied by changing the molar Cr concentration (0?

  16. Kondo hole behavior in Ce{sub 0.97} La{sub 0.03}Pd{sub 3}

    SciTech Connect (OSTI)

    Lawrence, J.M.; Graf, T.; Hundley, M.F.; Mandrus, D.; Thompson, J.D. [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)] [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Lacerda, A.; Torikachvili, M.S. [National High Magnetic Field Laboratory, Pulse Facility, Los Alamos, New Mexico 87545 (United States)] [National High Magnetic Field Laboratory, Pulse Facility, Los Alamos, New Mexico 87545 (United States); Sarrao, J.L.; Fisk, Z. [National High Magnetic Field Laboratory, Florida State University, Tallahassee, Florida 32306 (United States)] [National High Magnetic Field Laboratory, Florida State University, Tallahassee, Florida 32306 (United States)

    1996-05-01

    We present results for the resistivity, the magnetoresistance, and the specific heat of Ce{sub 0.97}La{sub 0.03}Pd{sub 3} and CePd{sub 3}. The impurity contributions to these measurements follow the predictions of the single-impurity Kondo model for a Kondo temperature {ital T}{sub {ital L}}{approx_equal}65 K, assuming that the impurity behaves as a crystal-field split ({Gamma}{sub 7}) doublet. Assuming a {ital J}=5/2 impurity, the value of {ital T}{sub {ital L}} needed to fit these experiments varies from 65 to 125 K. The contribution to the susceptibility may be too small to be explained by the model. These results address whether the nonmagnetic impurity behaves as a Kondo hole. {copyright} {ital 1996 The American Physical Society.}

  17. Optical spectroscopic study of inverted cylindrical magnetron sputtering of YBa sub 2 Cu sub 3 O sub 7 minus x

    SciTech Connect (OSTI)

    Xi, X.X.; Wu, X.D.; Inam, A.; Li, Q.; Hemmick, D.; Findikoglu, A. ); Venkatesan, T.; Chang, C.C. ); Howard, R. )

    1990-07-02

    Optical spectroscopic studies of the plasma generated by inverted cylindrical magnetron sputtering of the high-temperature superconductor YBa{sub 2}Cu{sub 3}O{sub 7{minus}{ital x}} reveal strong ionic emissions from cation elements as well as from the sputter gases. The emissions of cationic ions are weakened drastically when O{sub 2} is added into the sputter gas indicating the dominating role of ions in the reaction with oxygen to form gas phase oxides. The formation of gas phase oxides is proposed to be an important precursor step for the {ital in} {ital situ} deposition of YBa{sub 2}Cu{sub 3}O{sub 7{minus}{ital x}} thin films.

  18. CFD modeling of entrained-flow coal gasifiers with improved physical and chemical sub-models

    SciTech Connect (OSTI)

    Ma, J.; Zitney, S.

    2012-01-01

    Optimization of an advanced coal-fired integrated gasification combined cycle system requires an accurate numerical prediction of gasifier performance. While the turbulent multiphase reacting flow inside entrained-flow gasifiers has been modeled through computational fluid dynamic (CFD), the accuracy of sub-models requires further improvement. Built upon a previously developed CFD model for entrained-flow gasification, the advanced physical and chemical sub-models presented here include a moisture vaporization model with consideration of high mass transfer rate, a coal devolatilization model with more species to represent coal volatiles and heating rate effect on volatile yield, and careful selection of global gas phase reaction kinetics. The enhanced CFD model is applied to simulate two typical oxygen-blown entrained-flow configurations including a single-stage down-fired gasifier and a two-stage up-fired gasifier. The CFD results are reasonable in terms of predicted carbon conversion, syngas exit temperature, and syngas exit composition. The predicted profiles of velocity, temperature, and species mole fractions inside the entrained-flow gasifier models show trends similar to those observed in a diffusion-type flame. The predicted distributions of mole fractions of major species inside both gasifiers can be explained by the heterogeneous combustion and gasification reactions and the homogeneous gas phase reactions. It was also found that the syngas compositions at the CFD model exits are not in chemical equilibrium, indicating the kinetics for both heterogeneous and gas phase homogeneous reactions are important. Overall, the results achieved here indicate that the gasifier models reported in this paper are reliable and accurate enough to be incorporated into process/CFD co-simulations of IGCC power plants for systemwide design and optimization.

  19. Effects of volatiles on melt production and reactive flow in the mantle

    E-Print Network [OSTI]

    Keller, Tobias

    2015-01-01

    Magmatism in the Earth interior has a significant impact on its dynamic, thermal and compositional evolution. Experimental studies of petrology of mantle melting find that small concentrations of water and carbon dioxide have a significant effect on the solidus temperature and distribution of melting in the upper mantle. However, it has remained unclear what effect small fractions of deep, volatile-rich melts have on melting and melt transport in the shallow asthenosphere. We present a method to simulate the thermochemical evolution of the upper mantle in the presence of volatiles. The method is based on a novel, thermodynamically consistent framework for reactive, disequilibrium, multi-component melting/crystallisation. This is coupled with a system of equations representing conservation of mass, momentum, and energy for a partially molten grain aggregate. Application of this method to upwelling-column models demonstrates that it captures leading-order features of hydrated and carbonated peridotite melting. ...

  20. Measurement of surface emission flux rates for volatile organic compounds at Technical Area 54

    SciTech Connect (OSTI)

    Trujillo, V.; Morgenstern, M.; Krier, D. [Los Alamos National Lab., NM (United States); Gilkeson, R. [Weirich and Associates, Albuquerque, NM (United States)

    1998-06-01

    The survey described in this report was conducted to estimate the mass of volatile organic compounds venting to the atmosphere from active and inactive waste disposal sites at Technical Area 54. A large number of nonintrusive passive sample collection devices were placed on the ground surface for 72 hours to characterize an area of approximately 150 acres. Results provided an indication of the boundary location of the known volatile organic plume, plume constituents, and isolated high concentration areas. The data from this survey enhanced existing data from a limited number of monitor wells currently used for plume surveillance. Results indicate that the estimated mass emission to the atmosphere is orders of magnitude lower than what is considered a small flux rate at a spill site or a Resource Conservation and Recovery Act landfill and is far below the threshold limit established by the State of New Mexico as an air quality concern.

  1. Volatile transport on inhomogeneous surfaces: II. Numerical calculations (VT3D)

    E-Print Network [OSTI]

    Young, Leslie A

    2015-01-01

    Several distant icy worlds have atmospheres that are in vapor-pressure equilibrium with their surface volatiles, including Pluto, Triton, and, probably, several large KBOs near perihelion. Studies of the volatile and thermal evolution of these have been limited by computational speed, especially for models that treat surfaces that vary with both latitude and longitude. In order to expedite such work, I present a new numerical model for the seasonal behavior of Pluto and Triton which (i) uses initial conditions that improve convergence, (ii) uses an expedient method for handling the transition between global and non-global atmospheres, (iii) includes local conservation of energy and global conservation of mass to partition energy between heating, conduction, and sublimation or condensation, (iv) uses time-stepping algorithms that ensure stability while allowing larger timesteps, and (v) can include longitudinal variability. This model, called VT3D, has been used in Young (2012), Young (2013), Olkin et al. (201...

  2. 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)

    1995-12-31

    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.

  3. 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)

    2014-05-07

    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.

  4. Evolution of Griffith's phase in La{sub 0.4}Bi{sub 0.6}Mn{sub 1?x}Ti{sub x}O{sub 3} perovskite oxide

    SciTech Connect (OSTI)

    Dayal, Vijaylakshmi Kumar, Punith V.; Hadimani, R. L.; Jiles, D. C.

    2014-05-07

    Samples of La{sub 0.4}Bi{sub 0.6}Mn{sub 1?x}Ti{sub x}O{sub 3} have been prepared and their microstructure, composition, and magnetic properties have been investigated for x?=?0.05, 0.1, and 0.5.The deviation in the inverse susceptibility behavior from Curie-Weiss law and increase in susceptibility exponent indicates the evolution of the Griffith's phase in La{sub 0.4}Bi{sub 0.6}Mn{sub 1?x}Ti{sub x}O{sub 3} around T{sub C}. The presence of Griffith's Phase is inferred due to magnetic frustration with increasing Ti concentration. The deviation between field cooled and zero field cooled magnetization curves is observed in these samples and is attributed to the appearance of the spin glass or cluster glass state that arises due to the magnetic anisotropy.

  5. 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)

    2014-03-10

    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.

  6. 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)

    2010-06-15

    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.

  7. Synthesis, characterization and magnetic property of a new 3D iron phosphite: |C{sub 4}N{sub 3}H{sub 14}|[Fe{sub 3}(HPO{sub 3}){sub 4}F{sub 2}(H{sub 2}O){sub 2}] with intersecting channels

    SciTech Connect (OSTI)

    Qiao Jian; Zhang Lirong; Yu Yang; Li Guanghua; Jiang Tianchan; Huo Qisheng; Liu Yunling

    2009-07-15

    A new open-framework iron (III) phosphite |C{sub 4}N{sub 3}H{sub 14}|[Fe{sub 3}(HPO{sub 3}){sub 4}F{sub 2}(H{sub 2}O){sub 2}] has been solvothermally synthesized by using diethylenetriamine (DETA) as the structure-directing agent. Single-crystal X-ray diffraction analysis reveals that the compound crystallizes in the monoclinic space group C2/c having unit cell parameters a=12.877(3) A, b=12.170(2) A, c=12.159(2) A, beta=93.99(3){sup o}, V=1900.9(7) A{sup 3}, and Z=4 with R{sub 1}=0.0447, wR{sub 2}=0.0958. The complex structure consists of HPO{sub 3} pseudo-tetrahedra and {l_brace}Fe{sub 3}O{sub 14}F{sub 2}{r_brace} trimer building units. The assembly of these building units generates 3D inorganic framework with intersecting 6-, 8-, and 10-ring channels. The DETA cations are located in the 10-ring channels linked by hydrogen bonds. The Moessbauer spectrum shows that there exhibit two crystallographically independent iron (III) atoms. And the magnetic investigation shows the presence of antiferromagnetic interactions. Further characterization of the title compound was performed using X-ray powder diffraction (XRD), infrared (IR) spectra, thermal gravimetric analyses (TGA), inductively coupled plasma (ICP) and elemental analyses. - Graphical abstract: A new three-dimensional iron phosphite with intersecting 6-, 8-, 10-ring channels has been solvothermally synthesized by using diethylenetriamine (DETA) as the structure-directing agent.

  8. Structural characterization and AC conductivity of bis tetrapropylammonium hexachlorado-dicadmate, [N(C{sub 3}H{sub 7}){sub 4}]{sub 2}Cd{sub 2}Cl{sub 6}

    SciTech Connect (OSTI)

    Hannachi, N.; Guidara, K.; Bulou, A.; Hlel, F.

    2010-11-15

    Synthesis, crystal structure, vibrational study, {sup 13}C, {sup 111}Cd CP-MAS-NMR analysis and electrical properties of the compound [N(C{sub 3}H{sub 7}){sub 4}]{sub 2}Cd{sub 2}Cl{sub 6}, are reported. The latter crystallizes in the triclinic system (space group P1-bar, Z = 2) with the following unit cell dimensions: a = 9.530(1) A, b = 11.744(1) A, c = 17.433(1) A, {alpha} = 79.31(1){sup o}, {beta} = 84.00(1){sup o} and {gamma} = 80.32(1){sup o}. Besides, its structure was solved using 6445 independent reflections down to R = 0.037. The atomic arrangement can be described by alternating organic and inorganic layers parallel to the (11-bar 0) plan, made up of tetrapropylammonium groups and Cd{sub 2}Cl{sub 6} dimers, respectively. In crystal structure, the inorganic layer, built up by Cd{sub 2}Cl{sub 6} dimers, is connected to the organic ones through van der Waals interaction in order to build cation-anion-cation cohesion. Impedance spectroscopy study, reported in the sample, reveals that the conduction in the material is due to a hopping process. The temperature and frequency dependence of dielectric constants of the single crystal sample has been investigated to determine some related parameters to the dielectric relaxation.

  9. The Impact of Tax Shocks and Oil Price Volatility on Risk - A Study of North Sea Oilfield Projects 

    E-Print Network [OSTI]

    Kretzschmar, Gavin Lee; Moles, Peter

    2006-01-01

    We examine the impact of market volatility and increased fiscal take on risk in strategic natural resource projects. An increase in 2006 UK oilfield taxation is used as a natural experiment for assessing the impact of a ...

  10. Airborne and ground based measurements of volatile organic compounds using proton transfer reaction mass spectrometry in Texas and Mexico City 

    E-Print Network [OSTI]

    Fortner, Edward Charles

    2009-05-15

    Measurements of ambient volatile organic compounds (VOCs) by proton transfer reaction mass spectrometry (PTR-MS) are reported from recent airborne and surface based field campaigns. The Southeast Texas Tetroon Study (SETTS) ...

  11. Quantitative analysis of volatile organic compounds (VOCs) in soil via passive sampling : polyethylene sampler design and optimization

    E-Print Network [OSTI]

    Jensen, David G. (David Gannon)

    2015-01-01

    The potential for the release of volatile organic compounds (VOCs) to our natural environment is pervasive. However, the ability to accurately measure and predict VOC soil vapor concentrations is still limited. A polyethylene ...

  12. Benchtop testing of polyethylene passive sampling towards a quantitative analysis of volatile organic compounds (VOCs) in soil vapours

    E-Print Network [OSTI]

    Soo, Yu Xiang Jaren

    2015-01-01

    The feasibility of polyethylene (PE) as a passive sampler for quantitative analysis of volatile organic compounds (VOCs) was analysed in this work by means of a benchtop testing. A benchtop physical model was setup, which ...

  13. 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

    2009-01-01

    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 ...

  14. 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)

    2012-01-15

    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}).

  15. Evaluation of a Rice/Soy Fermentate on Broiler Performance, Litter Characteristics, and Fecal Odorant Volatilization 

    E-Print Network [OSTI]

    Williams, Mallori

    2012-10-19

    , 2000). As manure decomposes, as many as 80 to 200 odorous compounds can be produced. Some of the principle classes of odorous compounds include amines, sulfides, volatile fatty acids, indoles, skatoles, mercaptans, alcohols, and carbonyls (Choi et...; Vomitus 0.19 ? Isobutyric Acid Rancid; Butter; Cheese 1.5 ? Valeric Acid Foul 0.037 ? Isovaleric Acid Fatty Acid; Sweat; Buttery 0.078 ? Indole Piggy; Mothball; Burnt; Musty 0.3 ? Skatole Outhouse; Fecal 0.0056 ? Dimethyl Sulfide Decayed Cabbage 3 ?...

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

    SciTech Connect (OSTI)

    Kettering, Brett M; Nunez, James A

    2010-09-16

    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.

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

    SciTech Connect (OSTI)

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

    1981-01-01

    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.

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

    E-Print Network [OSTI]

    Hargrove, W. L

    1977-01-01

    , according to Mortland (1958), ". . . the conflicting nature of the data on losses of ammonia from soils. . . does not necessarily represent in- consistency but arises from the multitude of variables affecting ammonia sorption. Variations in techniques...FIELD MEASUREMENTS OF AMMONIA VOLATILIZATION FROM SURFACE APPLICATIONS OF NITROGEN FERTILIZERS TO A CALCAREOUS SOIL A Thesis by WILLIAM LEONARD HARGROVE, JR. Submitted to the Graduate College of Texas A&M University in Partial fulfillment...

  19. 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

    2004-02-01

    outliers (greater than five standard deviations from the mean). These screens yield a final sample of 4,336 regular announcements: 1,436 dividend increases and 2900 dividend decreases. 14 B. Sample Partitioning Suppose that investors price assets... partition the 4,336 announcements according to the underlying market direction and volatility experienced during the 30 trading day interval (approximately six weeks) preceding the event date [days -31, 13...

  20. Real-time monitoring of volatile organic compounds using chemical ionization mass spectrometry

    DOE Patents [OSTI]

    Mowry, Curtis Dale (Albuquerque, NM); Thornberg, Steven Michael (Peralta, NM)

    1999-01-01

    A system for on-line quantitative monitoring of volatile organic compounds (VOCs) includes pressure reduction means for carrying a gaseous sample from a first location to a measuring input location maintained at a low pressure, the system utilizing active feedback to keep both the vapor flow and pressure to a chemical ionization mode mass spectrometer constant. A multiple input manifold for VOC and gas distribution permits a combination of calibration gases or samples to be applied to the spectrometer.

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

    E-Print Network [OSTI]

    Lee, Hyoung Il

    2008-10-10

    filter. See, e.g., Tanizaki (1996) for a general introduction to the density-based Kalman fil- ter. The second approach applies the standard Bayesian procedure and estimates the unknown parameters and latent factor by their posterior means, which... transition and persistent la- tent factors. We argue that this model has advantages over theconventional stochastic model for the persistent volatility factor. Though the linear filtering is widely used in the state space model, the simulation result, as well...

  2. 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.

    1994-07-01

    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.

  3. Southern California Edison's (SCE) Research Program for Industrial Volatile Organic Compound (VOC) Emissions Control 

    E-Print Network [OSTI]

    Sung, R. D.; Cascone, R.; Reese, J.

    1990-01-01

    EDISON'S (SCE) RESEARCH PROGRAM FOR INDUSTRIAL VOLATILE ORGANIC COMPOUND (VOC) EMISSIONS CONTROL ROGER D. SUNG RON CASCONE JIM REESE Program Manager Senior Consultant Manager Southern California Edison Chem Systems, Inc. Applied Utility Systems... Rosemead, California Tarrytown, New York Santa Ana, California ABSTRACT SCE has developed and implemented a research program for customer retention through VOC emission control. Following characterization of problematic emission sources, SCE has...

  4. A new volatility term in the theory of options with transaction costs

    E-Print Network [OSTI]

    Alexander Morozovsky

    2000-04-03

    The introduction of transaction costs into the theory of option pricing could lead not only to the change of return for options, but also to the change of the volatility. On the base of assumption of the portfolio analysis, a new equation for option pricing with transaction costs is derived. A new solution for the option price is obtained for the time close to expiration date.

  5. Effect of moisture on air stripping of non volatile organic contaminants from soil 

    E-Print Network [OSTI]

    Alvarez, Roberto

    1991-01-01

    of the unsaturated soil zone by organic chemicals has been receiving considerable attention recently since it is the major source of ground water pollution. The main objective of this work was to study the viability of air stripping non volatile organic... in the solid phase. Phenol, an EPA priority pollutant which has been identified in ground water supplies, was the model contaminant. Studies involved stripping the contaminant from a column of Norwood/Westwood soil under several moisture conditions. Removal...

  6. 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; Wang, Cheng-Xin; Chen, Ning; Li, Rong; Pan, Yuanming

    2010-12-15

    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

  7. Formation and aging of secondary organic aerosol from toluene: changes in chemical composition, volatility, and hygroscopicity

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Hildebrandt Ruiz, L.; Paciga, A. L.; Cerully, K. M.; Nenes, A.; Donahue, N. M.; Pandis, S. N.

    2015-07-24

    Secondary organic aerosol (SOA) is transformed after its initial formation, but this chemical aging of SOA is poorly understood. Experiments were conducted in the Carnegie Mellon environmental chamber to form secondary organic aerosol (SOA) from the photo-oxidation of toluene and other small aromatic volatile organic compounds (VOCs) in the presence of NOx under different oxidizing conditions. The effects of the oxidizing condition on organic aerosol (OA) composition, mass yield, volatility, and hygroscopicity were explored. Higher exposure to the hydroxyl radical resulted in different OA composition, average carbon oxidation state (OSc), and mass yield. The OA oxidation state generally increased duringmore »photo-oxidation, and the final OA OSc ranged from -0.29 to 0.16 in the performed experiments. The volatility of OA formed in these different experiments varied by as much as a factor of 30, demonstrating that the OA formed under different oxidizing conditions can have a significantly different saturation concentration. There was no clear correlation between hygroscopicity and oxidation state for this relatively hygroscopic SOA.« less

  8. 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)

    2013-10-15

    In order to further improve the near-infrared shielding properties of cesium tungsten bronze (Cs{sub x}WO{sub 3}) for solar filter applications, Cs{sub x}WO{sub 3} particles were prepared by solvothermal reaction method and the effects of nitrogen annealing on the microstructure and near-infrared shielding properties of Cs{sub x}WO{sub 3} were investigated. The obtained Cs{sub x}WO{sub 3} samples were characterized by X-ray diffraction, scanning electron microscopy, transmission electron microscopy, X-ray photoelectron spectroscopy and spectrophotometer. The results indicate that nanosheet-like Cs{sub x}WO{sub 3} particles with hexagonal structure began to transform into nanorods after annealed at temperature higher than 600 °C. The near-infrared shielding properties of Cs{sub x}WO{sub 3} particles could be further improved by N{sub 2} annealing at 500–700 °C. Particularly, the 500 °C-annealed Cs{sub x}WO{sub 3} samples in the N{sub 2} atmosphere showed best near-infrared shielding properties. It was suggested that the excellent near-infrared shielding ability of the 500 °C-annealed Cs{sub x}WO{sub 3} samples is correlated with its minimum O/W atomic ratio and most oxygen vacancies. Highlights: • N{sub 2} annealing could further improve the near-infrared (NIR) shielding of Cs{sub x}WO{sub 3}. • Effects of N{sub 2} annealing on microstructure and NIR shielding of Cs{sub x}WO{sub 3} were studied. • The 500 °C-N{sub 2}-annealed Cs{sub x}WO{sub 3} exhibited minimum O/W ratio and most oxygen vacancies. • The 500 °C-N{sub 2}-annealed Cs{sub x}WO{sub 3} particles exhibited best NIR shielding properties.

  9. Electrochemical sensing behaviour of Ni doped Fe{sub 3}O{sub 4} nanoparticles

    SciTech Connect (OSTI)

    Suresh, R.; Giribabu, K.; Manigandan, R.; Narayanan, V., E-mail: vnnara@yahoo.co.in [Department of Inorganic Chemistry, University of Madras, Guindy Campus, Chennai 600 025 (India); Vijayalakshmi, L. [Annai Veilankanni's College for Women (Arts and Science), Saidapet, Chennai 600015 (India); Stephen, A. [Department of Nuclear Physics, University of Madras, Guindy Campus, Chennai 600 025 (India)

    2014-01-28

    Ni doped Fe{sub 3}O{sub 4} nanoparticles were synthesized by simple hydrothermal method. The prepared nanomaterials were characterized by X-ray diffraction analysis, DRS-UV-Visible spectroscopy and field emission scanning electron microscopy. The XRD confirms the phase purity of the synthesized Ni doped Fe{sub 3}O{sub 4} nanoparticles. The optical property of Ni doped Fe{sub 3}O{sub 4} nanoparticles were studied by DRS UV-Visible analysis. The electrochemical sensing property of pure and Ni doped Fe{sub 3}O{sub 4} nanoparticles were examined using uric acid as an analyte. The obtained results indicated that the Ni doped Fe{sub 3}O{sub 4} nanoparticles exhibited higher electrocatalytic activity towards uric acid.

  10. Effect of Eu substitution on superconductivity in Ba{sub 8?x}Eu{sub x}Al{sub 6}Si{sub 40} clathrates

    SciTech Connect (OSTI)

    Liu, Lihua; Bi, Shanli; Peng, Bailu; Li, Yang

    2015-05-07

    The silicon clathrate superconductor is uncommon as its structure is dominated by strong Si-Si covalent bonds, rather than the metallic bond, that are more typical of traditional superconductors. To understand the influence of large magnetic moment of Eu on superconductivity for type-I clathrates, a series of samples with the chemical formula Ba{sub 8?x}Eu{sub x}Al{sub 6}Si{sub 40} (x?=?0, 0.5, 1, and 2) were synthesised in which Eu occupied Ba sites in cage center. With the increase of Eu content, the cubic lattice parameter decreases monotonically signifying continuous shrinkage of the constituting (Ba/Eu)@Si{sub 20} and (Ba/Eu)@Si{sub 24} cages. The temperature dependence of magnetization at low temperature revealed that Ba{sub 8}Al{sub 6}Si{sub 40} is superconductive with transition temperature at T{sub C}?=?5.6?K. The substitution of Eu for Ba results in a strong superconductivity suppression; Eu-doping largely decreases the superconducting volume and transition temperature T{sub C}. Eu atoms enter the clathrate lattice and their magnetic moments break paired electrons. The Curie-Weiss temperatures were observed at 3.9, 6.6, and 10.9?K, respectively, for samples with x?=?0.5, 1.0, and 2.0. Such ferromagnetic interaction of Eu can destroy superconductivity.

  11. 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.

    1983-06-01

    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.

  12. Sandia Energy - SubTER

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of NaturalDukeWakefieldSulfateSciTechtail.Theory ofDid youOxygenLaboratory FellowsStationary PowerTaraSubTER Home Climate

  13. Impurity effects in superconducting UPt sub 3

    SciTech Connect (OSTI)

    Aronson, M.C. (The Harrison M. Randall Laboratory of Physics, The University of Michigan, Ann Arbor, Michigan 48109 (USA)); Vorenkamp, T.; Koziol, Z.; de Visser, A.; Bakker, K.; Franse, J.J.M. (Natuurkundig Laboratorium der Universiteit van Amsterdam, Valckenierstraat 65, 1018 XE Amsterdam, The Netherlands (USA)); Smith, J.L. (Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (USA))

    1991-04-15

    Superconducting UPt{sub 3} is characterized by a novel and complex magnetic field-temperature phase diagram, with two superconducting transitions at {ital T}{sub {ital c}1} and {ital T}{sub {ital c}2} in zero field. We have studied the effects of Pd and Y impurities on the zero field superconducting properties of UPt{sub 3}. Resistance measurements show that both dopants increase the residual resistivity and decrease the spin fluctuation temperature in the normal state. {ital T}{sub {ital c}1} is depressed by both dopants, but more effectively by Pd. {vert bar}{ital T}{sub {ital c}1} {minus} {ital T}{sub {ital c}2}{vert bar} is essentially unaffected by Y doping, but increases dramatically with Pd doping.

  14. Ordered binary oxide films of V{sub 2}O{sub 3}(0001) on Al{sub 2}O{sub 3}

    SciTech Connect (OSTI)

    Guo, Q.; Kim, D.Y.; Street, S.C.; Goodman, D.W.

    1999-07-01

    Ordered binary oxide films of vanadium oxide have been prepared on an aluminum oxide film supported on Mo(110) under ultrahigh vacuum conditions and characterized by various surface analytical techniques. Auger electron spectroscopy, low energy electron diffraction, high-resolution electron loss spectroscopy, x-ray photoelectron spectroscopy and ion scattering spectroscopy indicate that the vanadia films grow epitaxially on the Al{sub 2}O{sub 3}/Mo(110) surface as V{sub 2}O{sub 3}(0001). The results of electronic structural measurements show an increase in the energy of the a{sub 1g} level in the 3{ital d} band at low temperatures, which is a possible explanation for the metal-to-insulator transition in V{sub 2}O{sub 3}. {copyright} {ital 1999 American Vacuum Society.}

  15. Comparison of the crystal and electronic structures of three 2:1 salts of the organic donor molecule BEDT-TTF with pentafluorothiomethylsulfonate anions SF{sub 5}CH{sub 2}SO{sub 3}{sup {minus}}, SF{sub 5}CHFSO{sub 3}{sup {minus}}, and SF{sub 5}CF{sub 2}SO{sub 3}{sup {minus}}

    SciTech Connect (OSTI)

    Ward, B.H.; Schlueter, J.A.; Geiser, U. [and others] [and others

    2000-02-01

    Salts of the donor molecule, bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF or ET), with pentafluorothiomethylsulfonate (SF{sub 5}CX{sub 2}SO{sub 3}{sup {minus}}, X = H or F) anions have been prepared. Three phases, {beta}{double_prime}-(ET){sub 2}SF{sub 5}CH{sub 2}SO{sub 3}{beta}{prime}-(ET){sub 2}SF{sub 5}CF{sub 2}SO{sub 3} and {beta}{double_prime}-(ET){sub 2}SF{sub 5}CHFSO{sub 3} (A,B, and C respectively) were obtained by electrocrystallization with the corresponding LiSF{sub 5}CX{sub 2}SO{sub 3} electrolytes. The structures of these salts were determined by single-crystal X-ray diffraction, and their physical properties were examined by electrical resistivity measurements as well as by ESR and Raman spectroscopy. The A,C and B salts are considerably different in their crystal structures, physical properties, and electronic structures despite the similarity in the structures of SF{sub 5}CX{sub 2}SO{sub 3}{sup {minus}}(X = H,F) anions. The A salt has two kinds of ET donor molecules with considerably different charge densities. The electronic structure of C has both one-dimensional (1D) and two-dimensional (2D) Fermi surfaces which are similar to those found in the organic superconductor A. The ESR data for the B salt indicate that it opens a spin gap below 45 K. The differences in the physical properties of the three salts were analyzed by calculating the HOMO-HOMO interaction energies between nearest-neighbor ET molecules in their donor molecule layers.

  16. Wavelength-dependent optical enhancement of superconducting interlayer coupling in La<sub>1.885sub>Ba>0.115sub>CuO>4sub>

    SciTech Connect (OSTI)

    Casandruc, E.; Nicoletti, D.; Rajasekaran, S.; Laplace, Y.; Khanna, V.; Gu, G.; Hill, J. P.; Cavalleri, A.

    2015-05-05

    We analyze the pump wavelength dependence for the photo-induced enhancement of interlayer coupling in La<sub>1.885sub>Ba>0.115sub>CuO>4sub>, which is promoted by optical melting of the stripe order. In the equilibrium superconducting state (T < TC = 13 K), in which stripes and superconductivity coexist, time-domain THz spectroscopy reveals a photo-induced blue-shift of the Josephson Plasma Resonance after excitation with optical pulses polarized perpendicular to the CuO2 planes. In the striped, non-superconducting state (TC < T < TSO ? 40 K) a transient plasma resonance similar to that seen below TC appears from a featureless equilibrium reflectivity. Most strikingly, both these effects become stronger upon tuning of the pump wavelength from the mid-infrared to the visible, underscoring an unconventional competition between stripe order and superconductivity, which occurs on energy scales far above the ordering temperature.

  17. Gamma ray shielding and structural properties of Bi{sub 2}O{sub 3}?PbO?B{sub 2}O{sub 3}?V{sub 2}O{sub 5} glass system

    SciTech Connect (OSTI)

    Kaur, Kulwinder, E-mail: kanwarjitsingh@yahoo.com; Singh, K. J., E-mail: kanwarjitsingh@yahoo.com; Anand, Vikas, E-mail: kanwarjitsingh@yahoo.com [Department of Physics, Guru Nanak Dev University, Amritsar 143005 (India)

    2014-04-24

    The present work has been undertaken to evaluate the applicability of Bi{sub 2}O{sub 3}?PbO?B{sub 2}O{sub 3}?V{sub 2}O{sub 5} glass system as gamma ray shielding material. Gamma ray mass attenuation coefficient has been determined theoretically using WinXcom computer software developed by National Institute of Standards and Technology. A meaningful comparison of their radiation shielding properties has been made in terms of their half value layer parameter with standard radiation shielding concrete 'barite'. Structural properties of the prepared glass system have been investigated in terms of XRD and FTIR techniques in order to check the possibility of their commercial utility as alternate to conventional concrete for gamma ray shielding applications.

  18. Charge control of antiferromagnetism at PbZr{sub 0.52}Ti{sub 0.48}O{sub 3}/La{sub 0.67}Sr{sub 0.33}MnO{sub 3} interface

    SciTech Connect (OSTI)

    Ma, X.; Zhai, H.; Fang, F.; Lüpke, G., E-mail: gxluep@wm.edu [Department of Applied Science, College of William and Mary, 251 Jamestown Road, Williamsburg, Virginia 23187 (United States); Kumar, A. [Department of Physics and Institute for Functional Nanomaterials, University of Puerto Rico, San Juan, Puerto Rico 00931-3343 (United States); CSIR-National Physical Laboratory, New Delhi 110012 (India); Dussan, S.; Katiyar, R. S. [Department of Physics and Institute for Functional Nanomaterials, University of Puerto Rico, San Juan, Puerto Rico 00931-3343 (United States); Zhao, H. B. [Department of Optical Science and Engineering, Fudan University, 220 Handan Road, Shanghai 200433 (China); Scott, J. F. [Department of Physics and Institute for Functional Nanomaterials, University of Puerto Rico, San Juan, Puerto Rico 00931-3343 (United States); Department of Physics, Cavendish Laboratory, University of Cambridge, Cambridge CB3 OHE (United Kingdom)

    2014-03-31

    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.

  19. Study of phase relationships in the Sr{sub 3}(PO{sub 4}){sub 2}–CePO{sub 4} system. Phase diagram and thermal characteristics of phases

    SciTech Connect (OSTI)

    Matraszek, Aleksandra, E-mail: aleksandra.matraszek@ue.wroc.pl

    2013-07-15

    A diagram representing phase relationships in the Sr{sub 3}(PO{sub 4}){sub 2}–CePO{sub 4} phosphate system has been developed on the basis of results obtained by thermal analysis (DTA/DSC/TGA) and X-ray diffraction (XRD) methods. One intermediate compound with the formula Sr{sub 3}Ce(PO{sub 4}){sub 3} occurs in the Sr{sub 3}(PO{sub 4}){sub 2}–CePO{sub 4} system at temperatures exceeding 1045 °C. The compound has a eulytite structure with the following structural parameters: a=b=c=10.1655(8) Ĺ, ?=?=?=90.00°, V=1050.46(6) Ĺ{sup 3}. It's melting point exceeds 1950 °C. A limited solid solution exists in the system, which possesses the structure of a low-temperature form of Sr{sub 3}(PO{sub 4}){sub 2}. At 1000 °C the maximal concentration of CePO{sub 4} in the solid solution is below 20 mol%. The solid solution phase field narrows with increased temperature. There is a eutectic point in the (Sr{sub 3}(PO{sub 4}){sub 2}+Sr{sub 3}Ce(PO{sub 4}){sub 3}) phase field at 1765 °C and 15 mol% of CePO{sub 4}. The melting temperature of Sr{sub 3}(PO{sub 4}){sub 2} is 1882±15 °C. - Graphical abstract: The phase diagram of Sr{sub 3}(PO{sub 4}){sub 2}–CePO{sub 4} system showing the stability ranges of limited solid solution and Sr{sub 3}Ce(PO{sub 4}){sub 3} phases. - Highlights: • Sr{sub 3}(PO{sub 4}){sub 2} melts at 1882 °C. • Phase diagram of Sr{sub 3}(PO{sub 4}){sub 2}–CePO{sub 4} system has been proposed. • Limited solid solution of CePO{sub 4} in Sr{sub 3}(PO{sub 4}){sub 2} forms in the system. • The Sr{sub 3}Ce(PO{sub 4}){sub 2} phosphate is stable at temperatures above 1045 °C.

  20. 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)

    2014-03-21

    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.

  1. Structural and superconducting properties of neodymium added (Bi,Pb){sub 2}Sr{sub 2}CaCu{sub 2}O{sub y}

    SciTech Connect (OSTI)

    Biju, A.; Sarun, P.M. [Regional Research Laboratory (CSIR), Trivandrum, Kerala 695019 (India); Aloysius, R.P. [National Physical Laboratory (CSIR), New Delhi 110012 (India); Syamaprasad, U. [Regional Research Laboratory (CSIR), Trivandrum, Kerala 695019 (India)], E-mail: syam@csrrltrd.ren.nic.in

    2007-12-04

    The effects of neodymium (Nd) addition on the phase evolution, structural and superconducting properties of (Bi,Pb){sub 2}Sr{sub 2}CaCu{sub 2}O{sub y} [(Bi,Pb)-2212] prepared by solid state synthesis in bulk polycrystalline form were studied. The Nd content was varied from x = 0 to 0.5 on a general stoichiometry of Bi{sub 1.7}Pb{sub 0.4}Sr{sub 2.0}Ca{sub 1.1}Cu{sub 2.1}Nd{sub x}O{sub y}. The samples were characterized by differential thermal analysis (DTA), powder X-ray diffraction, scanning electron microscopy (SEM) equipped with energy dispersive X-ray analysis (EDX), resistance-temperature (R-T) measurements and superconductivity measurements at 64 K. It was found that the melting temperature of (Bi,Pb)-2212 slightly increases and the endotherm broadens due to the Nd-addition. The c-lattice parameter initially decreases and then increases with Nd addition. The critical temperature (T{sub C}) and the critical current density (J{sub C}) of the added samples are highly enhanced. The added sample shows a maximum onset critical temperature (T{sub C-onset}) of 95.56 K (x = 0.3) and a maximum critical current density of 719 A/cm{sup 2} at 64 K (x = 0.2) against 76.7 K and 100 A/cm{sup 2}, respectively, for the pure sample. The results show that the enhancement in superconducting properties are not due to any improvement in microstructure or grain growth, but due to a decrease in hole concentration as a result of Nd doping, which changes the system from 'over-doped condition' to 'optimally doped condition'.

  2. Rare-earth-rich tellurides: Gd{sub 4}NiTe{sub 2} and Er{sub 5}M{sub 2}Te{sub 2} (M=Co, Ni)

    SciTech Connect (OSTI)

    Magliocchi, Carmela; Meng, Fanqin; Hughbanks, Timothy . E-mail: trh@mail.chem.tamu.edu

    2004-11-01

    Three new rare earth metal-rich compounds, Gd{sub 4}NiTe{sub 2}, and Er{sub 5}M{sub 2}Te{sub 2} (M=Ni, Co), were synthesized in direct reactions using R, R{sub 3}M, and R{sub 2}Te{sub 3} (R=Gd, Er; M=Co, Ni) and single-crystal structures were determined. Gd{sub 4}NiTe{sub 2} is orthorhombic and crystallizes in space group Pnma with four formula units per cell. Lattice parameters at 110(2)K are a=15.548(9), b=4.113(2), c=11.7521(15)A. Er{sub 5}Ni{sub 2}Te{sub 2} and Er{sub 5}Co{sub 2}Te{sub 2} are isostructural and crystallize in the orthorhombic space group Cmcm with two formula units per cell. Lattice parameters at 110(2)K are a=3.934(1), b=14.811(4), c=14.709(4)A, and a=3.898(1), b=14.920(3), c=14.889(3)A, respectively. Metal-metal bonding correlations were analyzed using the empirical Pauling bond order concept.

  3. Pressure-dependent magnetism and electrical resistivity of UFe/sub 4/P/sub 12/

    SciTech Connect (OSTI)

    Guertin, R.P.; Rossel, C.; Torikachvili, M.S.; McElfresh, M.W.; Maple, M.B.; Bloom, S.H.; Yao, Y.S.; Kuric, M.V.; Meisner, G.P.

    1987-12-01

    UFe/sub 4/P/sub 12/ is the first reported uranium-based ferromagnetic semiconductor. The Curie temperature T/sub C/ is 3.15 K, and the spontaneous magnetic moment sigma/sub 0/ which at T = 1.14 K was found to be approx. =1.0 ..mu../sub B//(U atom), is associated entirely with the uranium ions. The electrical resistivity rho(T) increases by nearly 7 orders of magnitude as temperature is decreased from room temperature to 4.2 K. The behavior of the ferromagnetic and electrical properties of UFe/sub 4/P/sub 12/ in hydrostatic pressures up to 16 kbar is reported. Quasihydrostatic-pressure effects on rho(T) to 100 kbar are also reported. Although T/sub C/ increases sharply with increasing pressure at the rate dT/sub C//dP = 0.26 K/kbar (in contrast to similar data on the isomorphic ferromagnet NdFe/sub 4/P/sub 12/, where dT/sub C//dP = 0.03 K/kbar), sigma/sub 0/ decreases, (1/sigma/sub 0/)(dsigma/sub 0//dp) = -0.007 kbar/sup -1/. Hydrostatic and quasihydrostatic pressure have little effect on rho(T).

  4. 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; Nakano, Hiromi; Fukuda, Koichiro

    2011-08-15

    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}.

  5. Diffused phase transitions in Pb(Zr{sub 0.65}Ti{sub 0.35})O{sub 3}-Pb(Fe{sub 2/3}W{sub 1/3})O{sub 3} multiferroics

    SciTech Connect (OSTI)

    Tirupathi, Patri; Kumar, Nawnit; Pastor, Mukul Pandey, A. C.; Choudhary, R. N. P.

    2015-02-21

    The solid solutions of (1?x)Pb(Zr{sub 0.65}Ti{sub 0.35})O{sub 3}-xPb(Fe{sub 2/3}W{sub 1/3})O{sub 3} in different ratios were fabricated by a high-temperature solid-state reaction method using high-purity oxides for possible multi-ferroic applications. Structural analysis using x-ray diffraction powder patterns of the system by Rietveld refinement method exhibits the formation of rhombohedral phase with R3c space group. Detailed studies of dielectric permittivity as a function of temperature of the systems show that the frequency independent dielectric maximum temperature shifts toward room temperature on increasing x. In addition to this, the degree of diffuseness of the permittivity anomaly is more pronounced for higher content of Pb(Fe{sub 2/3}W{sub 1/3})O{sub 3}, implying the existence of a composition-induced diffuse phase transition for the limited range of compositional ratios. Detailed impedance spectroscopy analysis shows the contributions of grain, grain boundary, and interfacial polarizations in the resistive characteristics and conduction mechanism of the materials. The weak ferromagnetic and saturated ferroelectric loops indicate that system with x?=?0.1, 0.2 have good multiferroic characteristics, and may be useful for future spintronic devices.

  6. Hydrothermal synthesis and crystal structure of a new inorganic/organic hybrid of scandium sulfate: (H{sub 2}en)Sc{sub 2}(SO{sub 4}){sub 4}.(H{sub 2}O){sub 0.72}

    SciTech Connect (OSTI)

    Lu Jianjiang [Materials Science Division, Argonne National Laboratory, 9700 S Cass Avenue, Argonne, IL 60439 (United States)]. E-mail: j.lu@anl.gov; Schlueter, John A. [Materials Science Division, Argonne National Laboratory, 9700 S Cass Avenue, Argonne, IL 60439 (United States); Geiser, Urs [Materials Science Division, Argonne National Laboratory, 9700 S Cass Avenue, Argonne, IL 60439 (United States)

    2006-05-15

    The first organically templated layered structure of scandium sulfate, (H{sub 2}en)Sc{sub 2}(SO{sub 4}){sub 4}.(H{sub 2}O){sub 0.72}, (en=ethylenediamine) was synthesized by a hydrothermal method and characterized by single crystal X-ray diffraction. In the title compound, scandium ions are bridged by sulfate groups with a ratio of 1:2 into a 4{sub 3}{sup 6} layer structure. These layers are parallel packed and separated from each other by ethylenediammonium dications and water molecules. The title compound crystallizes in the monoclinic space group P2/c, with cell parameters a=8.5966(13)A, b=5.1068(8)A, c=18.847(3)A, {beta}=91.210(3){sup o}, V=827.2(2)A{sup 3} and Z=2. Refinement gave R{sub 1}[I>2{sigma}(I)]=0.0354 and wR{sub 2}[I>2{sigma}(I)]=0.0878. Thermogravimetric analysis indicates that this material is thermally stable to above 400 deg. C.

  7. 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)

    2011-03-15

    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.

  8. 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.

    1980-01-01

    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).

  9. Method for synthesizing fine-grained phosphor powders of the type (RE.sub.1- Ln.sub.x)(P.sub.1-y V.sub.y)O.sub.4

    DOE Patents [OSTI]

    Phillips, Mark L. F. (83 Lagarto Rd., Tijeras, NM 87059)

    1998-01-01

    A method for generating well-crystallized photo- and cathodoluminescent oxide phosphor powders. The method of this invention uses hydrothermal synthesis and annealing to produce nearly monosized (RE.sub.1-x Ln.sub.x)(P.sub.1-y V.sub.y)O.sub.4 (Ln.dbd.Ce.fwdarw.Lu) phosphor grains with crystallite sizes from 0.04 to 5 .mu.m. Such phosphors find application in cathode-ray tube, flat-panel, and projection displays.

  10. A highly coercive carbon nanotube coated with Ni{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} nanocrystals synthesized by chemical precipitation-hydrothermal process

    SciTech Connect (OSTI)

    Cao Huiqun; Zhu Meifang Li Yaogang; Liu Jianhong; Ni Zhuo; Qin Zongyi

    2007-11-15

    Novel magnetic composites (Ni{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4}-MWCNTs) of multi-walled carbon nanotubes (MWCNTs) coated with Ni{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} nanocrystals were synthesized by chemical precipitation-hydrothermal process. The composites were characterized by X-ray powder diffractometer (XRD), X-ray photoelectron spectrometer (XPS), Fourier transform infrared spectroscopy (FTIR), Moessbauer spectroscopy (MS), transmission electron microscopy (TEM), and selected area electron diffraction (SAED), etc. A temperature of about 200 deg. C was identified to be an appropriate hydrothermal condition to obtain Ni{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4}-MWCNTs, being lower than the synthesis temperature of a single-phase Ni{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} nanocrystals. The sizes of Ni{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} in the composites were smaller than those of Ni{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} nanocrystals in single phase. The composites exhibited more superparamagnetic than Ni{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} nanocrystals in their relaxation behaviors. The magnetic properties measured by a vibrating sample magnetometer showed that the composites had a high coercive field of 386.0 Oe at room temperature, higher than those of MWCNT and Ni{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} nanocrystals. - Graphical abstract: Novel magnetic composites (Ni{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4}-MWCNTs) of multi-walled carbon nanotubes (MWCNTs) coated with Ni{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} nanocrystals were synthesized by chemical precipitation-hydrothermal process. The composites had a high coercive field of 386.0 Oe, higher than those of MWCNT and Ni{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} nanocrystals.

  11. 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)

    2013-12-28

    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.

  12. 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.

    1983-01-01

    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.

  13. 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)

    2012-04-15

    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}.

  14. Technical bases for the use of CIF{sub 3} in the MSRE reactive gas removal project at Oak Ridge National Laboratory, Oak Ridge, Tennessee

    SciTech Connect (OSTI)

    Trowbridge, L.D.

    1997-06-01

    Nearly impermeable, non-volatile deposits in the Molten Salt Reactor Experiment (MSRE) off-gas piping are impeding the removal of reactive gases from that system. The deposits almost certainly consist of reduced uranium fluorides or of uranium oxyfluorides. Treatment with ClF{sub 3} is a non-intrusive method capable of chemically converting these compounds back to UF{sub 6}, which can then be removed as a gas. This report discusses the technical bases for the use of ClF{sub 3} treatments in this system. A variety of issues are examined, and where the necessary information exists or has been developed, the resolution discussed. The more important of these issues include the efficacy of ClF{sub 3} at deposit removal under the conditions imposed by the MSRE system, materials compatibility of ClF{sub 3} and its reaction products, and operational differences in the Reactive Gas Removal System imposed by the presence of ClF{sub 3} and its products.

  15. Preparation and thermophysical properties of (Sm{sub 1?x}Er{sub x}){sub 2}Ce{sub 2}O{sub 7} oxides for thermal barrier coatings

    SciTech Connect (OSTI)

    Xiaoge, Chen; Shusen, Yang; Hongsong, Zhang; Gang, Li; Zhenjun, Li.; Bo, Ren; Xudan, Dang; Haoming, Zhang; An, Tang

    2014-03-01

    Graphical abstract: - Highlights: • These ceramic materials with fluorite structure were synthesized. • Defect points lead to their lower thermal conductivities. • The lower ionic radius of Er{sup 3+} ion leads to the reduction of thermal expansion coefficient of (Sm{sub 1?x}Er{sub x}){sub 2}Ce{sub 2}O{sub 7} oxides. - Abstract: (Sm{sub 1?x}Er{sub x}){sub 2}Ce{sub 2}O{sub 7} ceramics were synthesized by sol–gel method and sintered at 1600 °C for 10 h in air. The influence of Er{sub 2}O{sub 3}-substitution on the phase structure and thermophysical properties of Sm{sub 2}Ce{sub 2}O{sub 7} was investigated. The phase structures of these ceramics were identified by X-ray diffraction showing that all synthesized ceramics have fluorite-type structure. The measurements for thermophysical properties of these ceramics show that their thermal conductivities and thermal expansion coefficients remarkably decreased through Er-substitution. However, the thermal expansion coefficients were higher than that of YSZ and their thermal conductivities were much lower than that of 8YSZ. The excellent thermophysical property implies that these solid solutions are potential materials for the ceramics layer in thermal barrier coatings.

  16. 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.

    2011-12-15

    The diffusion of CO{sub 2} molecules on a reduced rutile TiO{sub 2}(110)-(1×1) surface has been investigated using scanning tunneling microscopy (STM) and density functional theory (DFT) calculations. The STM feature associated with a CO{sub 2} molecule at an oxygen vacancy (V{sub O}) becomes increasingly streaky with increasing temperature, indicating thermally activated CO{sub 2} diffusion from the V{sub O} site. From temperature-dependent tunneling current measurements, the barrier for diffusion of CO{sub 2} from the V{sub O} site is estimated to be 3.31 ± 0.23 kcal/mol. The corresponding value from the DFT calculations is 3.80 kcal/mol. In addition, the DFT calculations give a barrier for diffusion of CO{sub 2} along Ti rows of only 1.33 kcal/mol.

  17. 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; Shimooka, Satoshi; Uheda, Kyota

    2012-06-15

    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.

  18. Phase Diagram and Spin Hamiltonian of Weakly-coupled Anisotropic S=1/2 Chains in CuCl<sub>2sub>.2((CD<sub>3sub>)>2sub>SO)

    SciTech Connect (OSTI)

    Chen, Y. [Johns Hopkins University; Stone, Matthew B [ORNL; Kenzelmann, M. [Johns Hopkins University; Batista, C. D. [Los Alamos National Laboratory (LANL); Reich, D. H. [Johns Hopkins University; Broholm, C. L. [Brookhaven National Laboratory (BNL)

    2007-01-01

    Field-dependent specific heat and neutron scattering measurements were used to explore the antiferromagnetic S=(1/2) chain compound CuCl{sub 2}{center_dot}2((CD{sub 3}){sub 2}SO). At zero field the system acquires magnetic long-range order below T{sub N}=0.93 K with an ordered moment of 0.44{micro}{sub B}. An external field along the b axis strengthens the zero-field magnetic order, while fields along the a and c axes lead to a collapse of the exchange stabilized order at {micro}{sub 0}H{sub c}=6 T and {micro}{sub 0}H{sub c}=4 T (extrapolated to zero temperature) and the formation of an energy gap in the excitation spectrum. We relate the field-induced gap to the presence of a staggered g-tensor and Dzyaloshinskii-Moriya interactions, which lead to effective staggered fields for magnetic fields applied along the a and c axes. Competition between anisotropy, interchain interactions, and staggered fields leads to a succession of three phases as a function of field applied along the c axis. For fields greater than {micro}{sub 0}H{sub c}, we find a magnetic structure that reflects the symmetry of the staggered fields. The critical exponent, beta, of the temperature driven phase transitions are indistinguishable from those of the three-dimensional Heisenberg magnet, while measurements for transitions driven by quantum fluctuations produce larger values of beta.

  19. Photodissociation of (SO{sub 2}?XH) Van der Waals complexes and clusters (XH = C{sub 2}H{sub 2}, C{sub 2}H{sub 4}, C{sub 2}H{sub 6}) excited at 32?040–32?090 cm{sup ?1} with formation of HSO{sub 2} and X

    SciTech Connect (OSTI)

    Makarov, Vladimir I.; Kochubei, Sergei A.; Khmelinskii, Igor

    2014-02-07

    We studied photodecomposition dynamics of (SO{sub 2}?XH) Van der Waals’ (VdW) complexes and clusters in gas phase, with X = C{sub 2}H, C{sub 2}H{sub 3}, and C{sub 2}H{sub 5}. SO{sub 2} was excited by frequency-doubled radiation of a tunable dye laser and resonance-enhanced multiphoton ionization was used to detect the C{sub 2}H (m/z 25), C{sub 2}H{sub 3} (m/z 27), and C{sub 2}H{sub 5} (m/z 29) ions by time-of-flight mass spectroscopy. Spectra obtained at higher nozzle pressures (P{sub 0} > 2.5 atm) indicate formation of clusters. Detailed studies of the VdW complex structure were carried out by analyzing the rotational structure of the respective action spectra. We also performed ab initio theoretical analysis of structures of the VdW complexes and transitional states leading to photodecomposition. We find that the structure of the transition state is significantly different as compared to the equilibrium ground-state structure of the respective complex. The photodecomposition mechanism depends on the hydrocarbon molecule bound to SO{sub 2}.

  20. CO<sub>2sub> induced phase transitions in diamine-appended metal–organic frameworks

    SciTech Connect (OSTI)

    Vlaisavljevich, Bess; Odoh, Samuel O.; Schnell, Sondre K.; Dzubak, Allison L.; Lee, Kyuho; Planas, Nora; Neaton, Jeffrey B.; Gagliardi, Laura; Smit, Berend

    2015-01-01

    Using a combination of density functional theory and lattice models, we study the effect of CO<sub>2sub> adsorption in an amine functionalized metal–organic framework. These materials exhibit a step in the adsorption isotherm indicative of a phase change. The pressure at which this step occurs is not only temperature dependent but is also metal center dependent. Likewise, the heats of adsorption vary depending on the metal center. Herein we demonstrate via quantum chemical calculations that the amines should not be considered firmly anchored to the framework and we explore the mechanism for CO<sub>2sub> adsorption. An ammonium carbamate species is formed via the insertion of CO<sub>2sub> into the M–N<sub>amine> bonds. Furthermore, we translate the quantum chemical results into isotherms using a coarse grained Monte Carlo simulation technique and show that this adsorption mechanism can explain the characteristic step observed in the experimental isotherm while a previously proposed mechanism cannot. Furthermore, metal analogues have been explored and the CO<sub>2sub> binding energies show a strong metal dependence corresponding to the M–N<sub>amine> bond strength. We show that this difference can be exploited to tune the pressure at which the step in the isotherm occurs. Additionally, the mmen–Ni<sub>2sub>(dobpdc) framework shows Langmuir like behavior, and our simulations show how this can be explained by competitive adsorption between the new model and a previously proposed model.

  1. Advanced Low Energy Enzyme Catalyzed Solvent for CO{sub 2} Capture

    SciTech Connect (OSTI)

    Zaks, Alex; Reardon, John

    2013-09-30

    A proof-of-concept biocatalyst enhanced solvent process was developed and demonstrated in an integrated bench-scale system using coal post combustion flue gas. The biocatalyst was deployed as a coating on M500X structured packing. Rate enhancement was evaluated using a non-volatile and non- toxic 20 wt% potassium carbonate solution. Greater than 500-fold volumetric scale-up from laboratory to bench scale was demonstrated in this project. Key technical achievements included: 10-fold mass transfer enhancement demonstrated in laboratory testing relative to blank potassium carbonate at 45°C; ~ 7-fold enhancement over blank in bench-scale field testing at National Carbon Capture Center; aerosol emissions were below detection limits (< 0.8 ppm); 90% capture was demonstrated at ~19.5 Nm{sup 3}/hr (dry basis); and ~ 80% CO{sub 2} capture was demonstrated at ~ 30 Nm{sup 3}/hr (dry basis) for more than 2800-hrs on flue gas with minimal detectible decline in activity. The regeneration energy requirement was 3.5 GJ/t CO{sub 2} for this solvent, which was below the target of <2.1 GJ/t CO{sub 2}. Bench unit testing revealed kinetic limitations in the un-catalyzed stripper at around 85°C, but process modeling based on bench unit data showed that equivalent work of less than 300 kWh/t CO{sub 2} including all CO{sub 2} compression can be achieved at lower temperature stripping conditions. Cost analysis showed that 20% potassium carbonate in a basic solvent flow sheet with biocatalyst coated packing has economic performance comparable to the reference NETL Case-12, 30% MEA. A detailed techno-economic analysis indicated that addition of catalyst in the stripper could reduce the cost of capture by ~6% and cost of avoided CO{sub 2} by ~10% below reference NETL Case-12. Based on these results, a directional plan was identified to reduce the cost of CO{sub 2} capture in future work.

  2. On the peculiar properties of triangular-chain EuCr{sub 3}(BO{sub 3}){sub 4} antiferromagnet

    SciTech Connect (OSTI)

    Gondek, ?.; Szytu?a, A.; Przewo?nik, J.; ?ukrowski, J.; Prokhorov, A.; Chernush, L.; Zubov, E.; Dyakonov, V.; Tyvanchuk, Yu.

    2014-02-15

    In this paper we report studies on EuCr{sub 3}(BO{sub 3}){sub 4} compound, that is a member of newly discovered family of huntite-related specimens for non-linear optics. For the first time, the uncommon temperature dependence of the EuCr{sub 3}(BO{sub 3}){sub 4} lattice parameters is reported. Additionally, the magnetism of this compound is extremely interesting. Namely, a possible interplay in between potentially magnetic rare-earth ions and 3d metal stacked within quasi-1D chain that can lead to a great variety of magnetic behaviour. Indeed, in our studies we have found 3D-long range ordering with metamagnetic behaviour, while at higher temperature the magnetic chains become uncoupled. - Graphical abstract: Torsion-like vibrations are the key to understand negative thermal expansion along the a-axis. Display Omitted - Highlights: • EuCr{sub 3}(BO{sub 3}){sub 4} is a peculiar triangular-chain antiferromagnet. • Rare earth sublattice is non-magnetic with Eu{sup 3+} configuration. • Cr{sup 3+} magnetic moments show 1-D behaviour along with spin fluctuations. • Torsion vibrations of Cr triangular tubes lead to anomalous expansion of unit cell.

  3. 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)

    2014-06-21

    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.

  4. The multiferroic properties of polycrystalline Bi{sub 1?x}Y{sub x}FeO{sub 3} films

    SciTech Connect (OSTI)

    Sheng, Yan [Department of Physics, Southeast University, Nanjing 211189, China and Key Laboratory of MEMS of the Ministry of Education, Southeast University, Nanjing 210096 (China); Rui, Wenbin; Du, Jun, E-mail: jdu@nju.edu.cn, E-mail: xuqingyu@seu.edu.cn [National Laboratory of Solid State Microstructures and Department of Physics, Nanjing University, Nanjing 210093 (China); Qiu, Xiangbiao [Department of Materials Science and Engineering, Nanjing University, Nanjing 210008 (China); Zhou, Shengqiang [Institute of Ion Beam Physics and Materials Research, Helmholtz-Zentrum Dresden-Rossendorf, P.O. Box 510119, Dresden 01314 (Germany); Xu, Qingyu, E-mail: jdu@nju.edu.cn, E-mail: xuqingyu@seu.edu.cn [Department of Physics, Southeast University, Nanjing 211189, China and Key Laboratory of MEMS of the Ministry of Education, Southeast University, Nanjing 210096 (China); National Laboratory of Solid State Microstructures and Department of Physics, Nanjing University, Nanjing 210093 (China)

    2014-05-07

    Polycrystalline Bi{sub 1?x}Y{sub x}FeO{sub 3} films with varying x from 0 to 0.30 were prepared by pulsed laser deposition on surface oxidized Si (100) substrates with LaNiO{sub 3} as buffer layer. The influence of Y doping on the structure, ferroelectric properties, and exchange bias have been systematically investigated. X-ray diffraction and Raman spectroscopy studies revealed the structural transition from rhombohedral R3c to orthorhombic Pn2{sub 1}a with increasing x above 0.10. The leakage current density of BiFeO{sub 3} has been effectively suppressed by Y doping, and well saturated P–E loops have been observed in Bi{sub 1?x}Y{sub x}FeO{sub 3} (0.01???x???0.07). Exchange bias field with a 3.6?nm thick NiFe layer increases with increasing x to 0.01, then decreases with further increasing x.

  5. Synthesis and structural characterization of a new rubidium borosulfate, Rb{sub 5}BS{sub 4}O{sub 16}

    SciTech Connect (OSTI)

    Dong, Lingyun; Pan, Shilie; Wang, Ying; Yu, Hongwei; Lin, Xiaoxia; Han, Shujuan

    2015-03-15

    Highlights: • Rb{sub 5}BS{sub 4}O{sub 16} has been synthesized using (NH{sub 4}){sub 2}SO{sub 4} as a source of sulfate ions for the first time. • Zero-dimensional anion groups, [B(SO{sub 4}){sub 4}]{sup 5?}, exist in the title compound. • Spectral properties and thermal analysis of Rb{sub 5}BS{sub 4}O{sub 16} were reported. - Abstract: A new rubidium borosulfate, Rb{sub 5}BS{sub 4}O{sub 16}, has been synthesized using (NH{sub 4}){sub 2}SO{sub 4} as a source of sulfate ions for the first time. The compound crystallizes in the space group P4{sub 3}2{sub 1}2 (No. 96) of the tetragonal system with a = 10.148(4) Ĺ, c = 16.689(14) Ĺ, V = 1718.8(17) Ĺ{sup 3}, and Z = 4. Zero-dimensional anion groups, [B(SO{sub 4}){sub 4}]{sup 5?}, a central BO{sub 4} tetrahedron sharing all its four vertices with neighboring sulfate tetrahedra, exist in the title compound, and then the rubidium atoms are situated in the voids of the resulting structure. The IR spectrum confirms the presence of BO{sub 4} and SO{sub 4} units. The UV–vis-NIR diffuse reflectance spectrum exhibits a band gap of about 3.99 eV. The TG-DSC analysis suggests that Rb{sub 5}BS{sub 4}O{sub 16} is an incongruent melting compound.

  6. BaZn{sub 2}Si{sub 2}O{sub 7} and the solid solution series BaZn{sub 2?x}Co{sub x}Si{sub 2}O{sub 7} (0

    SciTech Connect (OSTI)

    Kerstan, Marita; Thieme, Christian; Grosch, Matthias; Müller, Matthias; Rüssel, Christian, E-mail: ccr@rz.uni-jena.de

    2013-11-15

    For sealing of solid oxide fuel cells, glasses from which crystalline phases with high coefficient of thermal expansion (CTE) can be crystallized are required. In this paper, a new solid solution series BaZn{sub 2?x}Co{sub x}Si{sub 2}O{sub 7} (0sub 2}Si{sub 2}O{sub 7}). Sintered specimens were characterized by dilatometry. The introduction of Co{sup 2+} does not lead to a change in the space group. All compounds show a transition of a low to a high temperature modification. The attributed temperature increases from 300 °C for BaZn{sub 2}Si{sub 2}O{sub 7} to 850 °C for BaCo{sub 2}Si{sub 2}O{sub 7}. The volume expansion which runs parallel to the phase transition decreases with increasing cobalt concentration. The phase BaZn{sub 2}Si{sub 2}O{sub 7} shows the largest CTE and a steep volume effect during phase transition. For the compound BaZn{sub 0.25}Co{sub 1.75}Si{sub 2}O{sub 7} the CTE is minimum (8.6×10{sup ?6} K{sup ?1} (50–900 °C)) and increases again until for the compound BaCo{sub 2}Si{sub 2}O{sub 7} a CTE of 16.6×10{sup ?6} K{sup ?1} (50–900 °C) is reached. In the cobalt rich composition range, the CTEs are in the right range for high temperature fuel cells and can be adjusted by the composition. - Graphical abstract: The composition of the solid solution BaZn{sub 2?x}Co{sub x}Si{sub 2}O{sub 7} strongly affects the thermal expansion. Display Omitted - Highlights: • We examined the thermal expansion of solid solutions BaZn{sub 2?x}Co{sub x}Si{sub 2}O{sub 7} (0sub 2}Si{sub 2}O{sub 7} exhibits the highest thermal expansion due to a phase transition. • Substitution of small amounts of Zn{sup 2+} against Co{sup 2+} lead to decreasing thermal expansion. • The thermal expansions re-increased with further increasing Co{sup 2+} concentrations. • Seals based on these solid solutions should be suitable for solid oxide fuel cells.

  7. Incommensurate and commensurate modulations of Ba{sub 5}RTi{sub 3}Nb{sub 7}O{sub 30} (R?=?La, Nd) tungsten bronzes and the ferroelectric domain structures

    SciTech Connect (OSTI)

    Mao, Min Min; Li, Kun; Zhu, Xiao Li; Chen, Xiang Ming

    2015-04-07

    Incommensurate and commensurate structural modulations of Ba{sub 5}RTi{sub 3}Nb{sub 7}O{sub 30} (R?=?La, Nd) tungsten bronze ceramics were investigated by using a cooling holder equipped transmission electron microscopy in the temperature range from 100?K to 363?K. The incommensurate modulation was observed in both Ba{sub 5}LaTi{sub 3}Nb{sub 7}O{sub 30} and Ba{sub 5}NdTi{sub 3}Nb{sub 7}O{sub 30} at room temperature, while there was a transition from incommensurate tilted structure to commensurate superstructure for Ba{sub 5}NdTi{sub 3}Nb{sub 7}O{sub 30} with decreasing temperature. The incommensurate and commensurate modulations were determined by the A-site occupancy of Ba and R cations. The A-site disorder resulted in larger incommensurability parameter ? and the diffusion of the satellite reflection spots. The effect of A-site disorder on the coupling between long-range dipolar order and the commensurate modulation was also discussed. The obvious ferroelectric 180° domains with spike-like shape parallel to c axis were observed for Ba{sub 5}NdTi{sub 3}Nb{sub 7}O{sub 30}, while no macro ferroelectric domain was determined for Ba{sub 5}LaTi{sub 3}Nb{sub 7}O{sub 30}.

  8. Reaction dynamics and photochemistry of divalent systems. [Reaction of Ba with NO sub 2 , H sub 2 O, methanol, ClO sub 2 , O sub 3; photodissociation of NO sub 3 radical and OClO

    SciTech Connect (OSTI)

    Davis, H.F.

    1992-05-01

    Results are presented of molecular beam studies of bimolecular and unimolecular reactions of Ba. Chapter 1 discusses the reaction Ba + NO{sub 2}. Formation of the dominant BaO({sup 1}{Sigma}) + NO products resulted primarily from decay of long-lived Ba{sup +}NO{sub 2}{sup {minus}} collision complexes. Secondary mechanisms led to formation of forward scattered, internally excited BaO, and BaNO + O. D{sub o}(Ba-NO) = 65{plus minus}20 kcal/mol. Reactions of ground state and electronically excited Ba with water and alcohols are examined in Chapter 2. Reaction of Ba({sup 1}S) + H{sup 2}O led to BaO + H{sub 2}, whereas excited state Ba({sup 1}D) + H{sub 2}O reacted to form BaOH + H. Collisions between Ba and CH{sub 3}OH led to BaOCH{sub 3} + H. Radical channels involve H-atom migration and are promoted by excitation of the incident Ba atom. In Chapter 3, reactions of Ba({sup 1}S) with ClO{sub 2}2 and O{sub 3} are discussed. Again, direct and complex mechanisms were observed. Formation of BaCl + O{sub 2} from decomposition of Ba{sup +}ClO{sub 2}{sup {minus}} accounted for 10% of total reaction crass section. Although Ba + O{sub 3} {yields} BaO + 0{sub 2} occurs primarily by direct reaction mechanisms, the secondary channel Ba + 0{sub 3} {yields} BaO{sub 2} + 0 involved decay of long lived Ba{sup +}O{sub 3}{sup {minus}} intermediates. D{sub o}(Ba{minus}O{sub 2}) = 120 {plus minus}20 kcal/mol. Photodissociation dynamics of NO{sub 3} is explored in chapter 4. Visible excitation leads to formation of NO + 0{sub 2} and NO{sub 2} + O. Wavelength dependence of branching ratios is investigated. D{sub o}(O-NO{sub 2}) = 48.55 kcal/mole ;and calculate {Delta}H{sub f}(NO{sub 3}) = 17.75 kcal/mole (298K). Chapter 5 discusses the photodissociation of OClO in a molecular beam. Although ClO({sup 2}II) + O({sup 3}P) is dominant, Cl({sup 2}P) + O{sub 2} also forms, with a max yield of 3.9{plus minus}0.8% near 404nm.

  9. Surface phase of TiO{sub 2} modified with La{sub 2}O{sub 3} and its effect on the photocatalytic H{sub 2} evolution

    SciTech Connect (OSTI)

    Zhang, Yangyang [College of Chemistry, Chemical Engineering and Environmental Engineering, Liaoning Shihua University, Liaoning, 113001 (China); Zhang, Jing, E-mail: jingzhang_dicp@live.cn [College of Chemistry, Chemical Engineering and Environmental Engineering, Liaoning Shihua University, Liaoning, 113001 (China); Xu, Qian [State Key Laboratory of Catalysis, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, Liaoning (China); Yan, Song; Zhao, Shanlin; Luo, Genxiang [College of Chemistry, Chemical Engineering and Environmental Engineering, Liaoning Shihua University, Liaoning, 113001 (China); Li, Can, E-mail: canli@dicp.ac.cn [State Key Laboratory of Catalysis, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, Liaoning (China)

    2014-05-01

    Graphical abstract: The La{sub 2}O{sub 3}/TiO{sub 2}-900 °C (or La{sub 2}O{sub 3}/Ti(OH){sub 4}-900 °C), with surface anatase phase, show the similar photocatalytic activity. The presence of the surface anatase phase is important for high photocatalytic activity of TiO{sub 2} modified with La{sub 2}O{sub 3} (La{sub 2}O{sub 3}/Ti(OH){sub 4}-900 °C or La{sub 2}O{sub 3}/Ti(OH){sub 4}-900 °C){sub .} - Highlights: • Loading La{sub 2}O{sub 3} on anatase TiO{sub 2} is an effective method for stabilizing the anatase phases both in the surface and in the bulk region. • The high crystallinity of the surface anatase phase is important for high photocatalytic activity of TiO{sub 2} modified with La{sub 2}O{sub 3.} - Abstract: TiO{sub 2} nanoparticles modified with La{sub 2}O{sub 3} were prepared by an impregnation method using anatase TiO{sub 2} support (La{sub 2}O{sub 3}/TiO{sub 2}) or amorphous Ti(OH){sub 4} support (La{sub 2}O{sub 3}/Ti(OH){sub 4}). The bulk and surface crystalline phases of La{sub 2}O{sub 3}/TiO{sub 2} (or La{sub 2}O{sub 3}/Ti(OH){sub 4}) have been characterized by X-ray powder diffraction (XRD) and UV Raman spectroscopy. Besides, morphology and particle size of La{sub 2}O{sub 3}/TiO{sub 2} and La{sub 2}O{sub 3}/Ti(OH){sub 4} samples have been determined by TEM (transmission electron microscope) and Brunauer–Emmett–Teller (BET), respectively. It is found that the phase transformation and increase of the particle size of TiO{sub 2} can be more effectively inhibited in the La{sub 2}O{sub 3}/TiO{sub 2} than in the La{sub 2}O{sub 3}/Ti(OH){sub 4}. Photocatalytic experiments indicated that the La{sub 2}O{sub 3}/TiO{sub 2} (or La{sub 2}O{sub 3}/Ti(OH){sub 4}) samples with surface anatase phase have the similar overall photocatalytic activities. Moreover, it is found that the high crystallinity of surface anatase phase is benefit for the high photocatalytic activity of TiO{sub 2} modified with La{sub 2}O{sub 3}.

  10. Properties of Sb{sub 2}S{sub 3} and Sb{sub 2}Se{sub 3} thin films obtained by pulsed laser ablation

    SciTech Connect (OSTI)

    Virt, I. S.; Rudyj, I. O.; Kurilo, I. V.; Lopatynskyi, I. Ye.; Linnik, L. F.; Tetyorkin, V. V.; Potera, P.; Luka, G.

    2013-07-15

    The properties of Sb{sub 2}S{sub 3} and Sb{sub 2}Se{sub 3} thin films of variable thickness deposited onto Al{sub 2}O{sub 3}, Si, and KCl substrates are investigated by the method of pulsed laser ablation. The samples are obtained at a substrate temperature of 180 Degree-Sign C in a vacuum chamber with a residual pressure of 10{sup -5} Torr. The thickness of the films amounted to 40-1500 nm. The structure of the bulk material of the targets and films is investigated by the methods of X-ray diffraction and transmission high-energy electron diffraction, respectively. The electrical properties of the films are investigated in the temperature range of 253-310 K. It is shown that the films have semiconductor properties. The structural features of the films determine their optical parameters.

  11. 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

    2014-08-25

    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.

  12. Complete (O{sub 7},O{sub 8}) contribution to B{yields}X{sub s{gamma}} at O({alpha}{sub s}{sup 2})

    SciTech Connect (OSTI)

    Asatrian, H. M.; Ewerth, T.; Ferroglia, A.; Greub, C.; Ossola, G.

    2010-10-01

    We calculate the set of O({alpha}{sub s}{sup 2}) corrections to the branching ratio and to the photon energy spectrum of the decay process B{yields}X{sub s{gamma}} originating from the interference of diagrams involving the electromagnetic dipole operator O{sub 7} with diagrams involving the chromomagnetic dipole operator O{sub 8}. The corrections evaluated here are one of the elements needed to complete the calculations of the B{yields}X{sub s{gamma}} branching ratio at next-to-next-to-leading order in QCD. We conclude that this set of corrections does not change the central value of the standard model prediction for Br(B{yields}X{sub s{gamma}}) by more than 1%.

  13. Branching ratios from B{sub s} and {Lambda}{sub b}{sup 0}

    SciTech Connect (OSTI)

    Matthew S. Martin

    2004-05-28

    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.

  14. 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)

    2014-09-01

    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.

  15. Synthesis, crystal structure, and vibrational spectroscopic and UV-visible studies of Cs{sub 2}MnP{sub 2}O{sub 7}

    SciTech Connect (OSTI)

    Kaoua, Saida; Krimi, Saida; Pechev, Stanislav; Gravereau, Pierre; Chaminade, Jean-Pierre; Couzi, Michel; El Jazouli, Abdelaziz

    2013-02-15

    A new member of the A{sub 2}MP{sub 2}O{sub 7} diphosphate family, Cs{sub 2}MnP{sub 2}O{sub 7}, has been synthesized and structurally characterized. The crystal structure was determined by single crystal X-Ray diffraction. Cs{sub 2}MnP{sub 2}O{sub 7} crystallizes in the orthorhombic system, space group Pnma ( Music-Sharp-Sign 62), with the unit cell parameters a=16.3398(3), b=5.3872(1), c=9.8872(2) A, Z=4 and V=870.33(3) A{sup 3}. The structure parameters were refined to a final R{sub 1}/wR{sub 2}=0.0194/0.0441 for 1650 observed reflections. The 2D framework of Cs{sub 2}MnP{sub 2}O{sub 7} structure consists of P{sub 2}O{sub 7} and MnO{sub 5} units. The corner-shared MnO{sub 5} and P{sub 2}O{sub 7} units are alternately arranged along the b axis to form [(MnO)P{sub 2}O{sub 7}]{sub {infinity}} chains. These chains are interconnected by an oxygen atom to form sheets parallel to the (b, c) plane. The cesium atoms are located between the sheets in 9- and 10-fold coordinated sites. The infrared and Raman vibrational spectra have been investigated. A factor group analysis leads to the determination of internal modes of (P{sub 2}O{sub 7}) groups. UV-visible spectrum consists of weak bands, between 340 and 700 nm, assigned to the forbidden d-d transitions of Mn{sup 2+} ion, and of a strong band around 250 nm, attributed to the O--Mn charge transfer. - Graphical abstract: Structure of Cs{sub 2}MnP{sub 2}O{sub 7}: The 2D structure of Cs{sub 2}MnP{sub 2}O{sub 7} is built from P{sub 2}O{sub 7} diphosphate groups and MnO{sub 5} square pyramids which share corners and form [(MnO)P{sub 2}O{sub 7}]{sub {infinity}} chains along b axis. These chains are interconnected by an oxygen atom to form wavy (MnP{sub 2}O{sub 7}){sup 2-} sheets parallel to the (b, c) plane. The cesium ions are located between these sheets in the inter-layers space, in zigzag positions. Highlights: Black-Right-Pointing-Pointer A new diphosphate, Cs{sub 2}MnP{sub 2}O{sub 7}, has been synthesized and structurally characterized. Black-Right-Pointing-Pointer The structure consists of a 2D framework built up from (MnP{sub 2}O{sub 7}) sheets. Black-Right-Pointing-Pointer The sheets consist of [(MnO)P{sub 2}O{sub 7}]{sub {infinity}} chains formed by P{sub 2}O{sub 7} units and MnO{sub 5} square pyramids. Black-Right-Pointing-Pointer A factor group analysis leads to the determination of internal modes of (P{sub 2}O{sub 7}) groups. Black-Right-Pointing-Pointer UV-visible spectrum consists bands assigned to d-d transitions of Mn{sup 2+} ion and to O--Mn CT.

  16. Morphology control of open-framework zinc phosphate Zn{sub 4}(H{sub 3}O)(NH{sub 4}){sub 3}(PO{sub 4}){sub 4} via microwave-assisted technique

    SciTech Connect (OSTI)

    Ding, Ling; Song, Yu; Yang, Wei; Xue, Run-Miao; Zhai, Shang-Ru; An, Qing-Da

    2013-08-15

    Open-framework zinc phosphates were synthesized by microwave-assisted technique, and it was shown that the morphology of as-prepared materials could be easily tailored by changing synthesis temperature, reaction time and pH value. During the synthesis, when the reaction temperature increases from 130 °C to 220 °C, the products transformed from hexagonal prisms to polyhedron along with the disappearance of the hexagonal prisms vertical plane. Simultaneously, both the reaction time and pH value could promote the nucleation and growth of crystal particles. More interestingly, the target products with different morphologies could be obtained by varying the usage of NaOH or NH{sub 3}·H{sub 2}O at 130 °C during the microwave synthesis process. - Graphical abstract: Zinc phosphates with variable morphologies can be obtained by simply tuning the microwave-heating temperatures. Display Omitted - Highlights: • Synthesis of open-framework Zn{sub 4} (H{sub 3}O) (NH{sub 4}){sub 3}(PO{sub 4}){sub 4} compounds employing microwave technique. • Dependence of morphology on the reaction conditions. • Morphology transformation from hexagonal prisms to polyhedron was observed.

  17. Lattice instabilities in heavy fermion superconductors. [CeCu/sub 2/Si/sub 2/; CeAl/sub 3/; CeCu/sub 6/; UBe/sub 13/; UPt/sub 3/

    SciTech Connect (OSTI)

    Wohlleben, D.

    1987-01-01

    This paper shows that while in nonsuperconducting HF systems such as CeCu/sub 6/, CeAl/sub 3/ and stoichiometric CeCu/sub 2/Si/sub 2/, the large electronic ..gamma.. is due to a very narrow f band, in the three HF superconductors UBe/sub 13/, UPt/sub 3/ and nonstochiometric CeCu/sub 2/Si/sub 2/, it is not. The f band of these systems, as measured by their response to magnetic fields in three different ways, is much wider than suggested by the large ..gamma... According to their actual f band width, the HF superconductors belong into the Bantam Fermion class. It is argued that most of the large ..gamma.. of the HF superconductors is not of electronic origin and that it is instead caused by the precursor of a martensitic phase transition of the lattice or by a crystallographic phase mixture, i.e., that it is due to the displacive degrees of freedom. This suggests that the superconductivity of all three HF superconductors is caused by some special, low energy phonons rather than by a narrow f band. 52 refs., 4 figs., 3 tabs.

  18. 1-D and 2-D homoleptic dicyanamide structures, [Ph{sub 4}P]{sub 2}{Co{sup II}[N(CN){sub 2}]{sub 4}} and [Ph{sub 4}P]{M[N(CN){sub 2}]{sub 3}} (M = Mn, Co).

    SciTech Connect (OSTI)

    Raebiger, J. W.; Manson, J. L.; Sommer, R. D.; Geiser, U.; Rheingold, A. L.; Miller, J. S.; Materials Science Division; Univ. of Utah; Univ. of Delaware

    2001-05-21

    The homoleptic complexes [Ph{sub 4}P]{sub 2}{l_brace}Co[N(CN){sub 2}]{sub 4}{r_brace} and [Ph{sub 4}P]{l_brace}M[N(CN){sub 2}]{sub 3}{r_brace} [ M = Co, Mn] have been structurally as well as magnetically characterized. The complexes containing {l_brace}M[N(CN){sub 2}]{sub 4}{r_brace}{sup 2-} form 1-D chains, which are bridged via a common dicyanamide ligand in {l_brace}M[N(CN){sub 2}]{sub 3}{r_brace}{sup -} to form a 2-D structure. The five-atom [NCNCN]{sup -} ligands lead to a {sup 4}T{sub 1g} ground state for Co(II) which has an unquenched spin-orbit coupling that is reflected in the magnetic properties. Long-range magnetic ordering was not observed in any of these materials.

  19. Pressure dependence of the exchange interaction in the dimeric single-molecule magnet [Mn{sub 4}O{sub 3}Cl{sub 4}(O{sub 2}CEt){sub 3}(py){sub 3}]{sub 2} from inelastic neutron scattering

    SciTech Connect (OSTI)

    Sieber, A.; Waldmann, O.; Ochsenbein, S. T.; Carver, G.; Guedel, H. U.; Foguet-Albiol, D.; Christou, G.; Mutka, H.; Fernandez-Alonso, F.; Mezouar, M.; Weber, H. P.

    2006-07-01

    The low-lying magnetic excitations in the dimers of single-molecule magnets [Mn{sub 4}O{sub 3}Cl{sub 4}(O{sub 2}CEt){sub 3}(py){sub 3}]{sub 2}, or (Mn{sub 4}){sub 2}, are studied by inelastic neutron scattering as a function of hydrostatic pressure. The anisotropy parameters D and B{sub 0}{sup 4}, which describe each Mn{sub 4} subunit, are essentially pressure independent, while the antiferromagnetic exchange coupling J between the two Mn{sub 4} subunits strongly depends on pressure, with an increase of 42% at 17 kbar. Additional pressure-dependent powder x-ray measurements allow a structural interpretation of the findings.

  20. Area 2. Use Of Engineered Nanoparticle-Stabilized CO<sub>2sub> Foams To Improve Volumetric Sweep Of CO<sub>2sub> EOR Processes

    SciTech Connect (OSTI)

    DiCarlo, David; Huh, Chun; Johnston, Keith P.

    2015-01-31

    The goal of this project was to develop a new CO<sub>2 sub>injection enhanced oil recovery (CO<sub>2sub>-EOR) process using engineered nanoparticles with optimized surface coatings that has better volumetric sweep efficiency and a wider application range than conventional CO<sub>2sub>-EOR processes. The main objectives of this project were to (1) identify the characteristics of the optimal nanoparticles that generate extremely stable CO<sub>2sub> foams in situ in reservoir regions without oil; (2) develop a novel method of mobility control using “self-guiding” foams with smart nanoparticles; and (3) extend the applicability of the new method to reservoirs having a wide range of salinity, temperatures, and heterogeneity. Concurrent with our experimental effort to understand the foam generation and transport processes and foam-induced mobility reduction, we also developed mathematical models to explain the underlying processes and mechanisms that govern the fate of nanoparticle-stabilized CO<sub>2sub> foams in porous media and applied these models to (1) simulate the results of foam generation and transport experiments conducted in beadpack and sandstone core systems, (2) analyze CO<sub>2sub> injection data received from a field operator, and (3) aid with the design of a foam injection pilot test. Our simulator is applicable to near-injection well field-scale foam injection problems and accounts for the effects due to layered heterogeneity in permeability field, foam stabilizing agents effects, oil presence, and shear-thinning on the generation and transport of nanoparticle-stabilized C/W foams. This report presents the details of our experimental and numerical modeling work and outlines the highlights of our findings.

  1. Expresso -nica Dez crebros sub-35

    E-Print Network [OSTI]

    Instituto de Sistemas e Robotica

    Expresso - Única Dez cérebros sub-35 Autor: N.D. Id: 1385348 Data Publicaçăo: 06-11-2010 Fonte Âmbito: Nacional AlturaxLargura: 27,41cmx19,79cm #12;Expresso - Única Dez cérebros sub-35 Autor: N.D. Id - Única Dez cérebros sub-35 Autor: N.D. Id: 1385350 Data Publicaçăo: 06-11-2010 Fonte: Jornal Ediçăo: 1984

  2. 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.

    1996-10-29

    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.

  3. 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; Többens, Daniel M.; Kolitsch, Uwe; Tillmanns, Ekkehart

    2013-11-15

    Three new, isotypic silicate compounds, BaY{sub 4}(Si{sub 2}O{sub 7})(Si{sub 3}O{sub 10}), SrYb{sub 4}(Si{sub 2}O{sub 7})(Si{sub 3}O{sub 10}) and SrSc{sub 4}(Si{sub 2}O{sub 7})(Si{sub 3}O{sub 10}), were synthesized using high-temperature flux growth techniques, and their crystal structures were solved from single-crystal X-ray intensity data: monoclinic, P2{sub 1}/m, with a=5.532(1)/5.469(1)/5.278(1), b=19.734(4)/19.447(4)/19.221(4), c=6.868(1)/6.785(1)/6.562(1) Ĺ, ?=106.53(3)/106.20(3)/106.50(3)°, V=718.8(2)/693.0(2)/638.3(2) Ĺ{sup 3}, R(F)=0.0225/0.0204/0.0270, respectively. The topology of the novel structure type contains isolated horseshoe-shaped Si{sub 3}O{sub 10} groups (Si–Si–Si=93.15–95.98°), Si{sub 2}O{sub 7} groups (Si–O{sub bridge}–Si=180°, symmetry-restricted) and edge-sharing M(1)O{sub 6} and M(2)O{sub 6} octahedra. Single-crystal Raman spectra of the title compounds were measured and compared with Raman spectroscopic data of chemically and topologically related disilicates and trisilicates, including BaY{sub 2}(Si{sub 3}O{sub 10}) and SrY{sub 2}(Si{sub 3}O{sub 10}). The band assignments are supported by additional theoretical calculation of Raman vibrations by DFT methods. - Graphical abstract: View of BaY{sub 4}(Si{sub 2}O{sub 7})(Si{sub 3}O{sub 10}) along [100], showing zigzag chains and the tri- and disilicate groups. The unit cell is outlined. Display Omitted - Highlights: • We report a novel interesting crystal structure type for mixed sorosilicates containing Y, Yb, and Sc. • Synthesis of such mixed sorosilicates is possible by a high-temperature flux-growth technique. • Calculation of Raman vibrations by advanced DFT methods allows a considerably improved interpretation of measured Raman spectra.

  4. 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; Li, Juan; Ming Chen, Xiang

    2014-02-24

    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.

  5. Study on the Ge{sub 1?x}Sn{sub x}/HfO{sub 2} interface and its impacts on Ge{sub 1?x}Sn{sub x} tunneling transistor

    SciTech Connect (OSTI)

    Qiu, Yingxin; Wang, Runsheng, E-mail: ruhuang@pku.edu.cn, E-mail: r.wang@pku.edu.cn; Huang, Qianqian; Huang, Ru, E-mail: ruhuang@pku.edu.cn, E-mail: r.wang@pku.edu.cn [Key Laboratory of Microelectronic Devices and Circuits, Institute of Microelectronics, Peking University, Beijing 100871 (China)

    2014-06-21

    In this paper, we employ first-principle calculation to investigate the Ge{sub 1?x}Sn{sub x}/HfO{sub 2} interface, and then evaluate its impacts on Ge{sub 1?x}Sn{sub x} tunneling field-effect transistor (TFET). First-principle calculations of Ge{sub 1?x}Sn{sub x}/HfO{sub 2} interfaces in the oxygen-rich process atmosphere indicate that the interface states originate from the Ge and Sn dangling bond, rather than Hf-bond. The total density of state shows that there are more interface states in the semiconductor bandgap with increasing Sn fraction. By further incorporating the material and interface parameters from density functional theory calculation into advanced device simulation, the electrical characteristics of Ge{sub 1?x}Sn{sub x} TFET are investigated. Removing the Sn atom from the first atom layer of Ge{sub 1?x}Sn{sub x} in device processes is found to be beneficial to reduce the degradations. For the degradation mechanisms, the trap-assisted-tunneling is the dominant mechanism at the low Sn fraction, and enhanced Shockley-Read-Hall recombination induced by traps becomes the dominant mechanism with increasing Sn fraction. The results are helpful for the interface optimization of Ge{sub 1?x}Sn{sub x} TFET.

  6. 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.; Abdelhedi, M.; Dammak, M.; Kolsi, A.W.

    2012-12-15

    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.

  7. Strong electroluminescence from SiO{sub 2}-Tb{sub 2}O{sub 3}-Al{sub 2}O{sub 3} mixed layers fabricated by atomic layer deposition

    SciTech Connect (OSTI)

    Rebohle, L., E-mail: l.rebohle@hzdr.de; Braun, M.; Wutzler, R.; Helm, M.; Skorupa, W. [Institute of Ion Beam Physics and Materials Research, Helmholtz-Zentrum Dresden-Rossendorf, 01328 Dresden (Germany); Liu, B.; Sun, J. M. [Key Laboratory of Weak Light Nonlinear Photonics, Ministry of Education, School of Physics, Nankai University, Tianjin 300071 (China)

    2014-06-23

    We report on the bright green electroluminescence (EL) with power efficiencies up to 0.15% of SiO{sub 2}-Tb{sub 2}O{sub 3}-mixed layers fabricated by atomic layer deposition and partly co-doped with Al{sub 2}O{sub 3}. The electrical, EL, and breakdown behavior is investigated as a function of the Tb and the Al concentration. Special attention has been paid to the beneficial role of Al{sub 2}O{sub 3} co-doping which improves important device parameters. In detail, it increases the maximum EL power efficiency and EL decay time, it nearly doubles the fraction of excitable Tb{sup 3+} ions, it shifts the region of high EL power efficiencies to higher injection currents, and it reduces the EL quenching over the device lifetime by an approximate factor of two. It is assumed that the presence of Al{sub 2}O{sub 3} interferes the formation of Tb clusters and related defects. Therefore, the system SiO{sub 2}-Tb{sub 2}O{sub 3}-Al{sub 2}O{sub 3} represents a promising alternative for integrated, Si-based light emitters.

  8. Recovery of original superconducting properties in ion-irradiated Y sub 1 Ba sub 2 Cu sub 3 O sub 7 minus x thin films

    SciTech Connect (OSTI)

    Vadlamannati, S.; England, P.; Stoffel, N.G.; Ramesh, R.; Ravi, T.S.; Hwang, D.M.; Findikoglu, A.; Li, Q.; Venkatesan, T.; McLean, W.L. )

    1990-11-19

    The changes in the superconducting properties of {ital in} {ital situ} pulsed laser deposited Y{sub 1}Ba{sub 2}Cu{sub 3}O{sub 7}{sub {minus}{ital x}} thin films caused by irradiation with 200 keV He{sup +} ions are due to both oxygen loss as well as oxygen and cationic displacements induced by the irradiation. This is demonstrated by a study of the recovery of these defects by plasma oxidation and relatively low temperature ({approximately}600 {degree}C) annealing in oxygen. Plasma oxidation of films irradiated to low fluences enables the replacement of oxygen atoms in the lattice, leading to a substantial recovery of {ital T}{sub {ital c}0}, {ital J}{sub {ital c}}, and normal state resistivity. Irradiation-induced oxygen and cationic displacements and other microscopic defects can be further annealed out at relatively low temperatures leading to an almost full recovery of {ital T}{sub {ital c}0}, {ital J}{sub {ital c}}, and normal state resistivity. A transmission electron microscope study of irradiated films shows evidence that they are structurally disordered.

  9. Electric field effect in high T sub c superconducting ultrathin YBa sub 2 Cu sub 3 O sub 7 minus x films

    SciTech Connect (OSTI)

    Xi, X.X.; Li, Q.; Doughty, C.; Kwon, C.; Bhattacharya, S.; Findikoglu, A.T.; Venkatesan, T. )

    1991-12-23

    A multilayer high {ital T}{sub {ital c}} superconducting field-effect transistor-like structure was made from ultrathin YBa{sub 2}Cu{sub 3}O{sub 7{minus}{ital x}} films. An epitaxially grown dielectric SrTiO{sub 3} insulation layer, which had a forward bias breakdown voltage of about 20 V, allowed an electric field induced change in the channel layer of 1.25{times}10{sup 13} carrier/cm{sup 2} per volt of the gate voltage. A significant modulation of the normal state and superconducting properties was observed in samples with YBa{sub 2}Cu{sub 3}O{sub 7{minus}{ital x}} channel layers of a few unit cells thick. By applying gate voltage of different polarities, {ital T}{sub {ital c}} was both suppressed and enhanced by {similar to}1 K. The resistance was modulated by as much as 20% in the normal state and by over 1500% near the zero resistance temperature.

  10. Biotechnology Adoption in Sub-Saharan Africa

    E-Print Network [OSTI]

    Midling, Michael B

    2011-01-01

    Nigeria lacks Berkeley Undergraduate Journal: Volume 24, Issue 3 Biotechnology Adoption in Sub-Saharan Africa Michael Baihua Midling regular energy,

  11. Ab-initio structure determination of {beta}-La{sub 2}WO{sub 6}

    SciTech Connect (OSTI)

    Chambrier, M-H.; Kodjikian, S.; Ibberson, R.M.; Goutenoire, F.

    2009-02-15

    The structure of the low-temperature form of {beta}-La{sub 2}WO{sub 6} has been determined from laboratory X-ray, neutron time-of-flight and electron diffraction data. This tungstate crystallizes in the non-centrosymmetric orthorhombic space group (no. 19) P2{sub 1}2{sub 1}2{sub 1}, with Z=8, a=7.5196(1) A, b=10.3476(1) A, c=12.7944(2) A, and a measured density 7.37(1) g cm{sup -3}. The structure consists of tungsten [WO{sub 6}] octahedra and tetrahedral [OLa{sub 4}]. Tungsten polyhedra are connected such that [W{sub 2}O{sub 11}]{sup 10-} units are formed. - Graphical abstract: Projection of La{sub 2}WO{sub 6} structure along [100]. The structure could be described by [W{sub 2}O{sub 11}]{sup -10} structural unit formed by two corner-sharing octahedra.

  12. Synthesis and characterization of (H{sub 2}dab){sub 2}Cu{sub 8}Ge{sub 4}S{sub 14}{center_dot}2H{sub 2}O: An expanded framework based on icosahedral Cu{sub 8}S{sub 12} cluster

    SciTech Connect (OSTI)

    Zhang Renchun; Zhang Chi [Department of Chemistry, Dalian University of Technology, Dalian 116024 (China); Ji Shouhua [Department of Materials, Dalian University of Technology, Dalian 116024 (China); Ji Min [Department of Chemistry, Dalian University of Technology, Dalian 116024 (China); An Yonglin, E-mail: ylan@dlut.edu.cn [Department of Chemistry, Dalian University of Technology, Dalian 116024 (China)

    2012-02-15

    A new three-dimensional framework copper-thiogermanate, (H{sub 2}dab){sub 2}Cu{sub 8}Ge{sub 4}S{sub 14}{center_dot}2H{sub 2}O (1), was prepared under solvothermal condition and characterized by elemental analysis, single-crystal and powder X-ray diffraction, thermogravimetric analysis and UV-vis diffuse reflectance spectroscopy. Compound 1 crystallizes in the monoclinic space group P2(1)/c, a=11.444(4) A, b=12.984(4) A, c=12.455(6) A, {beta}=91.527(1) Degree-Sign , V=1850.2(3) A{sup 3}, Z=2. It contains a new three-dimensional Cu-Ge-S framework constructed from icosahedral [Cu{sub 8}S{sub 12}]{sup 16-} clusters linked by [GeS{sub 4}]{sup 4-} and dimeric [Ge{sub 2}S{sub 6}]{sup 4-} units, with diprotonated 1,4-dab (1,4-diaminobutane) and H{sub 2}O molecules located in the intersecting channels. UV-vis reflectance spectroscopy reveals the band gap of compound 1 is 2.5 eV. - Graphical abstract: Compound 1 contains a 3D expanded framework constructed from icosahedral Cu{sub 8}S{sub 12} clusters linked by GeS{sub 4} and dimeric Ge{sub 2}S{sub 6} units, with diprotonated 1,4-dab and H{sub 2}O molecules located in the channels. Highlights: Black-Right-Pointing-Pointer A new 3-D framework copper-thiogermanate was prepared under solvothermal condition. Black-Right-Pointing-Pointer The framework is built up from icosahedral Cu{sub 8}S{sub 12} clusters linked by GeS{sub 4} and dimeric Ge{sub 2}S{sub 6} units. Black-Right-Pointing-Pointer The result provides a new strategy to expand octahedral SBUs-based framework. Black-Right-Pointing-Pointer Compound 1 is a semiconductor with the band gap of 2.5 eV.

  13. Oxidation of volatiles in residential wood burning equipment. Final technical report, September 1980-February 1984

    SciTech Connect (OSTI)

    Malte, P.C.; Thornton, M.M.; Kamber, P.D.

    1984-04-01

    The objectives of this project are to measure, through the use of laboratory combustors, those conditions which promote complete combustion of wood volatiles in residential wood burning equipment. The conditions of interest are combustion temperature, residence time, stoichiometry, and air mixing. The project objectives are met through two laboratory approaches: (1) model compound studies: in order to measure the overall rates of oxidative pyrolysis of biomass volatiles, and to determine the types of intermediate organic species which are likely to form as part of this process, model compounds have been reacted in a specialized jet-stirred reactor, which has been developed as part of this research. (2) high-intensity wood combustion: in order to study the clean combustion of wood, that is, to investigate the conceptual design features required for clean burning, and to ascertain the levels and types of pollutant and condensible species which are most difficult to oxidize, a high-intensity, research wood combustor has been developed and examined for the different phases of the wood burning cycle. Although the objectives of the project have been met, it has not been possible, because of support limitations, to thoroughly explore several interesting aspects which have arisen because of this research. For example, a third laboratory system in which wood pyrolysis gas is injected directly into the a well characterized reactor, so that the kinetics and mechanisms of the gas-phase reaction of the actual biomass volatiles can be studied, could not be thoroughly developed. Refinements in the high-intensity wood combustor, which would bring its design features closer to practicality for the industry, could not be considered. 32 references, 37 figures, 10 tables.

  14. Field evaluation of ground water sampling devices for volatile organic compounds

    SciTech Connect (OSTI)

    Muska, C F; Colven, W P; Jones, V D; Scogin, J T; Looney, B B; Price, V Jr

    1986-01-01

    Previous studies conducted under laboratory conditions demonstrated that the type of device used to sample ground water contaminated with volatile organic compounds can significantly influence and analytical results. The purpose of this study was to evaluate, under field conditions, both commercial and developmental ground water sampling devices as part of an ongoing ground water contamination investigation and remediation program at the Savannah River Plant (SRP). Ground water samples were collected using six types of sampling devices in monitoring wells of different depths and concentrations of volatile organic contaminants (primarily trichloroethylene and tetrachloroethylene). The study matrix was designed to statistically compare the reuslts of each sampling device under the test conditions. Quantitative and qualitative evaluation criteria were used to determine the relative performance of each device. Two categories of sampling devices were evaluated in this field study, positive displacement pumps and grab samplers. The positive displacement pumps consisted of a centrifugal (mechanical) pump and a bladder pump. The grab samples tested were a syringe sampler, a dual-check valve bailer, a surface bomb sampler, and a pressurized bailer. Preliminary studies were conducted to establish the analytical and sampling variability associated with each device. All six devices were then used to collect ground water samples in water table (unconfined), semi-confined aquifer, and confined aquifer monitoring wells. Results were evaluated against a set of criteria that included intrasampling device variability (precision), volatile organic concentration (accuracy), sampling and analytical logistics, and cost. The study showed that, by using careful and reproducible procedures, overall sampling variability is low regardless of sampling device.

  15. Crystal structure of Mn{sub 2}Ln{sub 3}Sb{sub 3}O{sub 14} (Ln=La, Pr and Nd): A new ordered rhombohedral pyrochlore

    SciTech Connect (OSTI)

    Fu, W.T., E-mail: w.fu@chem.leidenuniv.nl; IJdo, D.J.W.

    2014-05-01

    Manganese rare earth antimonates with the formula Mn{sub 2}Ln{sub 3}Sb{sub 3}O{sub 14} (Ln=La–Yb and Y) have been prepared and their structures were determined by the Rietveld method using X-ray diffraction data. The compounds with Ln=La, Pr and Nd crystallize in a rhombohedral supercell of the cubic fluorite with the space group R3{sup Ż}m and with the lattice parameters a{sub h}??2a{sub c} and c{sub h}?2?3a{sub c}, where a{sub c} denotes the lattice constant of the cubic fluorite. The structure is pyrochlore-like but differs from the common cubic pyrochlore A{sub 2}B{sub 2}O{sub 7} in that it consists of fully ordered Mn:Ln in the A sites and Mn:Sb in the B sites with the ratio 1:3. The most interesting feature of Mn{sub 2}Ln{sub 3}Sb{sub 3}O{sub 14} is that the divalent Mn ions have different coordination numbers with oxygen and the Mn(II)O{sub 6} (octahedron) and Mn(II)O{sub 8} (hexagonal bipyramid) alternate along the parent cubic fluorite axes. For medium sized lanthanides, i.e. from Ln=Sm, the rhombohedral phase coexists with the cubic phase and Mn{sub 2}Y{sub 3}Sb{sub 3}O{sub 14} is cubic a pyrochlore. - Graphical abstract: Crystal structure of rhombohedral pyrochlore Mn{sub 2}Ln{sub 3}Sb{sub 3}O{sub 14} (Ln=La, Pr, and Nd) showing the staking of Ln{sub 3}Mn and MnSb{sub 3} layers (a). (b) and (c) show the connections between Mn1O{sub 6} and LnO{sub 8} and between Mn2O{sub 8} and SbO{sub 6} polyhedra, respectively. - Highlights: • Pyrochlores of the formula Mn{sub 2}Ln{sub 3}Sb{sub 3}O{sub 14} (Ln=La–Yb and Y) were synthesized for the first time. • Mn{sub 2}Ln{sub 3}Sb{sub 3}O{sub 14} with Ln=La, Pr, Nd are rhombohedral consisting of fully 1:3 ordering of metal ions. • With medium-sized Ln, rhombohedral phase co-exists with cubic phase. • Two divalent Mn ions have coordination numbers of 6 and 8, respectively.

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

    DOE Patents [OSTI]

    Dinh, T.V.

    1996-06-11

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

    DOE Patents [OSTI]

    Dinh, Tuan V. (Knoxville, TN)

    1996-01-01

    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.

  18. Spatial resolution and the geologic interpretation of Martian morphology - implications for subsurface volatiles

    SciTech Connect (OSTI)

    Zimbelman, J.R.

    1987-08-01

    Viking Orbiter images of the Acheron Fossae on Mars are presented and analyzed, with an emphasis on the impact of image resolution on the interpretation. High-resolution (less than 10 m/pixel) images reveal small mounds which can be interpreted as aeolian dunes, but these features are not evident on images with resolution of 50 m/pixel or greater. Also reported are the results of a visual inspection of 527 usable high-resolution images: it is found that all of the morphological features identified can arise in the absence of subsurface volatiles. 21 references.

  19. Sorption and permeation of low molecular weight volatile compounds in polypropylene 

    E-Print Network [OSTI]

    Vidal, Antonio Ramiro Santiago

    1991-01-01

    the vapor permeation through the wall of the polypropylene containers. Sorption was calculated by subtracting the estimated permeation from the total loss. The effect of type of volatile compound, composition of polymer, and thickness of the container... LIST OF FIGURES FIGURE Page 1 Treatment setup 12 2 Effect of wall thickness on total loss to the container 33 3 Effect of composition of polymer on total loss to the container 36 4 Effect of type of resin on total loss to the container 38 5...

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

    E-Print Network [OSTI]

    Jackson, Timothy Court

    1989-01-01

    loins were packaged and stored for up to 28 days at 3'C in high- oxygen barrier film under vacuum and in 100% CO~ 40% CO/60% Ns and 20% COs/80% Os. A procedure was developed by which large volumes of headspace gases could be removed from the packaged... 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...

  1. Influence of H{sub 2}O{sub 2} on LPG fuel performance evaluation

    SciTech Connect (OSTI)

    Khan, Muhammad Saad Ahmed, Iqbal Mutalib, Mohammad Ibrahim bin Abdul Nadeem, Saad Ali, Shahid

    2014-10-24

    The objective of this mode of combustion is to insertion of hydrogen peroxide (H{sub 2}O{sub 2}) to the Liquefied Petroleum Gas (LPG) combustion on spark plug ignition engines. The addition of hydrogen peroxide may probably decrease the formation of NO{sub x}, CO{sub x} and unburned hydrocarbons. Hypothetically, Studies have shown that addition of hydrogen peroxide to examine the performance of LPG/H{sub 2}O{sub 2} mixture in numerous volumetric compositions starting from lean LPG until obtaining a better composition can reduce the LPG fuel consumption. The theory behind this idea is that, the addition of H{sub 2}O{sub 2} can cover the lean operation limit, increase the lean burn ability, diminution the burn duration along with controlling the exhaust emission by significantly reducing the greenhouse gaseous.

  2. Factorized power expansion for high-p<sub>T> heavy quarkonium production

    SciTech Connect (OSTI)

    Ma, Yan-Qing; Qiu, Jian-Wei; Sterman, George; Zhang, Hong

    2014-10-02

    We show that when the factorized cross section for heavy quarkonium production includes next-to-leading power contributions associated with the production of the heavy quark pair at short distances, it naturally reproduces all high p<sub>T> results calculated in nonrelativistic QCD (NRQCD) factorization. This extended formalism requires fragmentation functions for heavy quark pairs, as well as for light partons. When these fragmentation functions are themselves calculated using NRQCD, we find that two of the four leading NRQCD production channels, łS[1]<sub>1sub> and ąS[8]<sub>0sub>, are dominated by the next-to-leading power contributions for a very wide p<sub>T> range. The large next-to-leading order corrections of NRQCD are absorbed into the leading order of the first power correction. The impact of this finding on heavy quarkonium production and its polarization is discussed.

  3. Proton and Ion Acceleration by BNL Terewatt Picosecond CO<sub>2sub> Laser. New Horizons

    SciTech Connect (OSTI)

    Shkolnikov, Peter

    2014-09-30

    The report covers pioneering research on proton and ion generation in gas jets by the world's first picosecond TW CO<sub>2sub> laser developed at Brookhaven National Laboratory

  4. CO<sub>2sub> Binding Organic Liquids Gas Capture with Polarity Swing Assisted Regeneration

    SciTech Connect (OSTI)

    Heldebrant, David

    2014-05-31

    This report outlines the comprehensive bench-scale testing of the CO<sub>2sub>-binding organic liquids (CO<sub>2sub>BOLs) solvent platform and its unique Polarity Swing Assisted Regeneration (PSAR). This study outlines all efforts on a candidate CO<sub>2sub>BOL solvent molecule, including solvent synthesis, material characterization, preliminary toxicology studies, and measurement of all physical, thermodynamic and kinetic data, including bench-scale testing. Equilibrium and kinetic models and analysis were made using Aspen Plus™. Preliminary process configurations, a technoeconomic assessment and solvent performance projections for separating CO<sub>2sub> from a subcritical coal-fired power plant are compared to the U.S. Department of Energy's Case 10 monoethanolamine baseline.

  5. Yb:(YLa){sub 2}O{sub 3} laser ceramics produced by microwave sintering

    SciTech Connect (OSTI)

    Balabanov, S S; Bykov, Yu V; Egorov, S V; Eremeev, A G; Gavrishchuk, E M; Khazanov, Efim A; Mukhin, I B; Palashov, O V; Permin, D A; Zelenogorskii, V V

    2013-04-30

    The possibility of using microwave heating for sintering of optical oxide ceramics and the advantages of this method are considered. Sintering of Yb{sub 0.1}:(YLa){sub 1.9}O{sub 3} ceramics by heating with 24-GHz radiation is studied. The compacts for sintering are prepared from nanosized powders obtained by high-temperature synthesis from acetate-nitrates of rare-earth metals. The effect of addition of lanthanum oxide and of the uniaxial pressing conditions on the microstructure and optical transmission of ceramics is studied. Lasing at a wavelength of 1030 nm with an efficiency of 7.5 % is achieved in ceramic samples of the (Yb{sub 0.05}Y{sub 0.1}La{sub 0.85}){sub 2}O{sub 3} composition under pumping by a laser diode at a wavelength of 940 nm. (extreme light fields and their applications)

  6. A partonic interpretation of DVCS at small x{sub B{sub j}}

    SciTech Connect (OSTI)

    Kumericki, Kresimir; Mueller, Dieter; Passek-Kumericki, Kornelija

    2009-03-23

    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.

  7. Factorized power expansion for high-p<sub>T> heavy quarkonium production

    SciTech Connect (OSTI)

    Ma, Yan-Qing [Brookhaven National Laboratory, Physics Department, Upton, NY (United States); Qiu, Jian-Wei [Brookhaven National Laboratory, Physics Department, Upton, NY (United States); Stony Brook University, C.N. Yang Institute for Theoretical Physics, Department of Physics and Astronomy, Stony Brook, NY (United States); Sterman, George [Stony Brook University, C.N. Yang Institute for Theoretical Physics, Department of Physics and Astronomy, Stony Brook, NY (United States); Zhang, Hong [Stony Brook University, Department of Physics and Astronomy, Stony Brook, NY (United States)

    2014-10-01

    We show that when the factorized cross section for heavy quarkonium production includes next-to-leading power contributions associated with the production of the heavy quark pair at short distances, it naturally reproduces all high p<sub>T> results calculated in nonrelativistic QCD (NRQCD) factorization. This extended formalism requires fragmentation functions for heavy quark pairs, as well as for light partons. When these fragmentation functions are themselves calculated using NRQCD, we find that two of the four leading NRQCD production channels, łS[1]<sub>1sub> and ąS[8]<sub>0sub>, are dominated by the next-to-leading power contributions for a very wide p<sub>T> range. The large next-to-leading order corrections of NRQCD are absorbed into the leading order of the first power correction. The impact of this finding on heavy quarkonium production and its polarization is discussed.

  8. 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.

    2013-02-25

    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.

  9. Electronic phase diagram of epitaxial La{sub 1?x}Sr{sub x}FeO{sub 3} films

    SciTech Connect (OSTI)

    Xie, Y. J.; Scafetta, M. D.; Moon, E. J.; Krick, A. L.; Sichel-Tissot, R. J.; May, S. J.

    2014-08-11

    The electronic phase diagram of epitaxial La{sub 1?x}Sr{sub x}FeO{sub 3} films is presented. The films were grown on SrTiO{sub 3} using molecular beam epitaxy with post-growth annealing to minimize oxygen vacancies. Insulating behavior is observed from x?=?0–0.9, with metallic conduction only present for x?=?1.0. While the La-rich compounds exhibit polaron conduction over all temperatures measured, the Sr-rich films exhibit an electronic phase transition within the compositional window of x?=?0.49–0.9 as revealed by temperature-dependent resistivity measurements. The transition temperatures are found to decrease with increasing Sr content. The constructed phase diagram is discussed in the context of other 3d e{sub g} perovskite systems including manganites and cobaltites.

  10. Disorder-driven spin-reorientation in multiferroic h-YMn{sub 1?x}Fe{sub x}O{sub 3}

    SciTech Connect (OSTI)

    Namdeo, Sonu; Rao, S. S.; Awasthi, A. M.; Kaushik, S. D.; Siruguri, V.

    2014-07-14

    Magnetic structure evolution of multiferroic hexagonal YMn{sub 1?x}Fe{sub x}O{sub 3} (x?=?0, 0.05, and 0.1) has been studied by carrying out detailed temperature-dependent neutron diffraction at zero and 5?T fields. Thermodynamic data confirm antiferromagnetic ordering at T{sub N} in all the compositions. Our sub-T{sub N} neutron diffraction results assign the magnetic structure of pure YMnO{sub 3} to ?{sub 1} irreducible representation. Over the perturbative-doping range, magnetic structure changes via ?{sub 1}?+??{sub 2} for YMn{sub 0.95}Fe{sub 0.05}O{sub 3} on to ?{sub 2} for YMn{sub 0.9}Fe{sub 0.1}O{sub 3}, as the maiden compositional analogue of spin-reorientation; its occurrence in temperature-domain already reported for several manganites. Moreover, while the large thermal isostructural changes observed above T{sub N} are subdued in the ordered state, small alterations by the applied 5?T-field are relatively uniform across, confirming strong magneto-elastic nature of the system. Decrease of the ordered magnetic moment (?{sub ord}) and planar magnetic frustration noted with Fe-doping is enhanced by the applied field, apparently through canting.

  11. 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; Baumbach, Ryan E.; Thompson, Joe D.; Bauer, Eric D.; Kauzlarich, Susan M.

    2013-09-15

    Single crystals of Ce{sub 3}Ni{sub 25.75}Ru{sub 3.16}Al{sub 4.1}B{sub 10} were obtained from a process in which a polycrystalline sample of CeRu{sub 2}Al{sub 2}B was annealed in an excess of a Ni–In flux. The initial phase, CeRu{sub 2}Al{sub 2}B, does not recrystallize, instead, crystals of a new phase, Ce{sub 3}Ni{sub 25.75}Ru{sub 3.16}Al{sub 4.1}B{sub 10}, could be isolated once the flux was removed. The title compound crystallizes in the tetragonal space group P4/nmm (No. 129) with a=1139.02(8), c=801.68(6) pm (c/a=0.70) in the Nd{sub 3}Ni{sub 29}Si{sub 4}B{sub 10} structure type. Electrical resistivity measurements reveal metallic behavior with a minimum of 700 µ? cm and a small residual resistivity ratio of RRR=1.4 indicating a large amount of disorder scattering. The cerium atoms are either in the 4+ or an intermediate valence state with a valence fluctuation temperature far above room temperature. - Graphical abstract: Single crystals of Ce{sub 3}Ni{sub 25.75}Ru{sub 3.16}A{sub l4.1}B{sub 10} were obtained using a process in which a polycrystalline sample of CeRu{sub 2}Al{sub 2}B was annealed in an excess of a Ni–In flux. Electrical resistivity measurements reveal metallic behavior with a minimum of 700 ?? cm and a small residual resistivity ratio of RRR=1.4 indicating a large amount of disorder scattering. The cerium atoms are either in the 4+ or an intermediate valence state with a valence fluctuation temperature far above room temperature. Display Omitted - Highlights: • Flux synthesis of high quality single crystals of Ce{sub 3}Ni{sub 25.75}Ru{sub 3.16}Al{sub 4.1}B{sub 10} is presented along with the crystal structure, magnetic and transport properties. • The compound is isostructural to Nd{sub 3}Ni{sub 29}Si{sub 4}B{sub 10} but is first of this structure type showing mixed occupancies of d-elements. • This is an intermetallic phase with Ce in either the 4+ or an intermediate valence state. • The fact that this structure with mixed occupied transition metal sites exists suggests that more compounds of this type should be accessible and the physical properties tuned.

  12. Local structure and disorder in crystalline Pb{sub 9}Al{sub 8}O{sub 21}

    SciTech Connect (OSTI)

    Hannon, Alex C. Barney, Emma R.; Holland, Diane; Knight, Kevin S.

    2008-05-15

    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.

  13. 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

    2007-08-21

    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.

  14. 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; Pilz, Thomas; Chandran, C. Vinod; Jansen, Martin

    2012-10-15

    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.

  15. 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)

    2000-01-01

    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.

  16. Interface-dependent magnetotransport properties for thin Pt films on ferrimagnetic Y{sub 3}Fe{sub 5}O{sub 12}

    SciTech Connect (OSTI)

    Shiomi, Y.; Ohtani, T.; Iguchi, S.; Sasaki, T.; Qiu, Z.; Nakayama, H.; Uchida, K.; Saitoh, E.

    2014-06-16

    We have studied magnetoresistance and Hall effects for 1.8-nm-thick Pt films grown on a ferrimagnetic insulator Y{sub 3}Fe{sub 5}O{sub 12} in a wide temperature (0.46–300?K) and magnetic-field (?15 to 15?T) region. In the low-temperature regime where quantum corrections to conductivity are observed, weak antilocalization behavior observed in Pt films is critically suppressed when the film is attached to Y{sub 3}Fe{sub 5}O{sub 12}. Hall resistance in the Pt film is also affected by Y{sub 3}Fe{sub 5}O{sub 12}, and it exhibits logarithmic temperature dependence in a broad temperature range. The magnetotransport properties in the high-field range are significantly influenced by the interface between Pt and Y{sub 3}Fe{sub 5}O{sub 12}.

  17. Improvement of magnetic and structural stabilities in high-quality Co{sub 2}FeSi{sub 1?x}Al{sub x}/Si heterointerfaces

    SciTech Connect (OSTI)

    Yamada, S.; Tanikawa, K.; Oki, S.; Kawano, M.; Miyao, M.; Hamaya, K.

    2014-08-18

    We study high-quality Co{sub 2}FeSi{sub 1?x}Al{sub x} Heusler compound/Si (0 ? x ? 1) heterointerfaces for silicon (Si)-based spintronic applications. In thermal treatment conditions, the magnetic and structural stabilities of the Co{sub 2}FeSi{sub 1?x}Al{sub x}/Si heterointerfaces are improved with increasing x in Co{sub 2}FeSi{sub 1?x}Al{sub x}. Compared with L2{sub 1}-ordered Co{sub 2}FeSi/Si, B2-ordered Co{sub 2}FeAl/Si can suppress the diffusion of Si atoms into the Heusler-compound structure. This experimental study will provide an important knowledge for applications in Si-based spin transistors with metallic source/drain contacts.

  18. Measurement of the CP-violating phase ?<sub>s>J/?? using the flavor-tagged decay B<sub>s>0?J/ ?? in 8 fb?ą of pp? collisions

    SciTech Connect (OSTI)

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

    2012-02-22

    We report an updated measurement of the CP-violating phase, ?<sub>s>J/??, and the decay-width difference for the two mass eigenstates, ??<sub>s>, from the flavor-tagged decay B0<sub>s>?J/??. The data sample corresponds to an integrated luminosity of 8.0 fb?ą accumulated with the D0 detector using pp? collisions at ?s=1.96 TeV produced at the Fermilab Tevatron collider. The 68% Bayesian credibility intervals, including systematic uncertainties, are ??<sub>s>=0.163+0.065<sub>?0.064sub> ps?ą and ?<sub>s>J/??=?0.55+0.38<sub>?0.36sub>. The p-value for the Standard Model point is 29.8%.

  19. Crystal structures of two novel borate compounds MgInBO{sub 4} and MgIn{sub 7/8}B{sub 7/8}O{sub 29/8}

    SciTech Connect (OSTI)

    Li, H.K. [School of Materials Science and Engineering, Central South University, Changsha, Hunan 410083 (China); Science Center for Phase Diagram and Materials Design and Manufacture, Central South University, Changsha, Hunan 410083 (China); Cai, G.M., E-mail: caigemei@csu.edu.cn [School of Materials Science and Engineering, Central South University, Changsha, Hunan 410083 (China); Science Center for Phase Diagram and Materials Design and Manufacture, Central South University, Changsha, Hunan 410083 (China); Fan, J.J.; Jin, Z.P. [School of Materials Science and Engineering, Central South University, Changsha, Hunan 410083 (China); Science Center for Phase Diagram and Materials Design and Manufacture, Central South University, Changsha, Hunan 410083 (China); Zhou, T.T.; Chen, X.L. [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China)

    2013-06-15

    Two novel borate compounds MgInBO{sub 4} and MgIn{sub 7/8}B{sub 7/8}O{sub 29/8}, have been synthesized via solid-state reactions, and their crystal structures have been solved and refined from powder X-ray diffraction data. The compound MgInBO{sub 4}, which was obtained at 1190 °C, belongs to the warwickite family. It crystallizes in the Pnma space group (no. 62) with a=9.5443(1) Ĺ, b=3.2771(1) Ĺ, c=9.5228(1) Ĺ, and Z=4. The fundamental building units are liner –Mg(In)O{sub 6}–[In(Mg)]{sub 2}O{sub 10}–Mg(In)O{sub 6}– chains and isolated BO{sub 3} triangles. The low-temperature phase, MgIn{sub 7/8}B{sub 7/8}O{sub 29/8}, whose crystal structure is solved ab initio by the charge-flipping method with standard chemical formula MgInBO{sub 4}, was prepared at 1080 °C. It crystallizes in the P12{sub 1}/n1 space group (no. 14) with a=17.0976(1) Ĺ, b=3.2504(1) Ĺ, c=5.3387(1) Ĺ, ?=96.0829(3)°, and Z=4. The structure of MgIn{sub 7/8}B{sub 7/8}O{sub 29/8} contains [In(2)/Mg(2)]{sub 2}O{sub 10} groups, –MgO{sub 6}–InO{sub 6}– infinite ribbons and isolated BO{sub 3} triangles. The experiments and the differential thermal analysis (DTA) show the decompositions of MgInBO{sub 4} and MgIn{sub 7/8}B{sub 7/8}O{sub 29/8} happen at about 1220 °C and 1180 °C, respectively. The comparative crystal chemistry from MgIn{sub 7/8}B{sub 7/8}O{sub 29/8} to MgInBO{sub 4} has been discussed. Infrared spectra and UV–vis diffuse reflectance spectra of MgInBO{sub 4} and MgIn{sub 7/8}B{sub 7/8}O{sub 29/8} were measured. - Graphical abstract: The structural transformation from the monoclinic MgIn{sub 7/8}B{sub 7/8}O{sub 29/8} (P12{sub 1}/n1) to the orthorhombic MgInBO{sub 4} (Pnma). - Highlights: • Two novel borate compounds MgInBO{sub 4} and MgIn{sub 7/8}B{sub 7/8}O{sub 29/8} have been synthesized via solid-state reactions for the first time. • The crystal structures of MgInBO{sub 4} and MgIn{sub 7/8}B{sub 7/8}O{sub 29/8} have been solved and refined from powder X-ray diffraction data. • The possible crystal chemical analysis from MgIn{sub 7/8}B{sub 7/8}O{sub 29/8} to MgInBO{sub 4} is discussed. • Infrared spectra and UV–vis diffuse reflectance spectra of MgInBO{sub 4} and MgIn{sub 7/8}B{sub 7/8}O{sub 29/8} have been measured.

  20. Structural, electrical and optical properties of Bi{sub 2}Se{sub 3} and Bi{sub 2}Se{sub (3-x)}Te {sub x} thin films

    SciTech Connect (OSTI)

    Augustine, Saji [Crystal Growth Laboratory, Department of Physics, Cochin University of Science and Technology, Cochin 682022, Kerala, (India) and Materials and Process Simulation Laboratory, Department of Materials Science and Engineering, Korea Advanced Institute of Science and Technology (KAIST), Daejeon 305701 (Korea, Republic of)]. E-mail: sajia@kaist.ac.kr; Ampili, S. [Crystal Growth Laboratory, Department of Physics, Cochin University of Science and Technology, Cochin 682022, Kerala (India); Kang, Jeung Ku [Materials and Process Simulation Laboratory, Department of Materials Science and Engineering, Korea Advanced Institute of Science and Technology (KAIST), Daejeon 305701 (Korea, Republic of); Mathai, Elizabeth [Crystal Growth Laboratory, Department of Physics, Cochin University of Science and Technology, Cochin 682022, Kerala (India)

    2005-08-11

    Thin films of Bi{sub 2}Se{sub 3}, Bi{sub 2}Se{sub 2.9}Te{sub 0.1}, Bi{sub 2}Se{sub 2.7}Te{sub 0.3} and Bi{sub 2}Se{sub 2.6}Te{sub 0.4} are prepared by compound evaporation. Micro structural, optical and electrical measurements are carried out on these films. X-ray diffraction pattern indicates that the as-prepared films are polycrystalline in nature with exact matching of standard pattern. The composition and morphology are determined using energy dispersive X-ray analysis and scanning electron microscopy (SEM). The optical band gap, which is direct allowed, is 0.67 eV for Bi{sub 2}Se{sub 3} thin films and the activation energy is 53 meV. Tellurium doped thin films also show strong optical absorption corresponding to a band gap of 0.70-0.78 eV. Absolute value of electrical conductivity in the case of tellurium doped thin film shows a decreasing trend with respect to parent structure.

  1. Preparation of NaGdS{sub 2} via thermolysis of Gd[S{sub 2}CN(C{sub 4}H{sub 8})]{sub 3}-phen complexes and sodium diethyldithiocarbamate mixtures

    SciTech Connect (OSTI)

    Luo, Xixian, E-mail: Luoxixiandl@126.com [Physics Department, Dalian Maritime University, Dalian, Liaoning 116026 (China); Ma, Lubin; Xing, Mingming; Fu, Yao; Zhou, Xiaolin; Sun, Min [Physics Department, Dalian Maritime University, Dalian, Liaoning 116026 (China)

    2013-05-15

    Highlights: ? We adopt a new and simple thermolysis method to synthesise NaGdS{sub 2} compounds. ? The obtained NaGdS{sub 2} presents a microrod morphology with a length diameter ratio of 2.1. ? NaGdS{sub 2} has excellent transmission over a very wide range of wavelengths (>430 nm). ? The route may be used for the synthesis of other AREX{sub 2}-based materials or nanocrystals. - Abstract: A novel, simple thermolysis method is adopted to prepare alkali metal rare earth ternary sulphide NaGdS{sub 2} using Gd(S{sub 2}CNEt{sub 2}){sub 3-}phen complexes and NaS{sub 2}CNEt{sub 2}·3H{sub 2}O mixtures as precursors in a nitrogen atmosphere at 600–1000 °C. The obtained NaGdS{sub 2} presents a microrod morphology with an average diameter of 112 nm, average length of 236 nm, and length diameter ratio of 2.1. Furthermore, the as-prepared NaGdS{sub 2} has excellent transmission over a very wide range of wavelengths (>430 nm) and may be an ideal IR window material.

  2. Rietveld refinement and ionic conductivity of Ca{sub 8.4}Bi{sub 1.6}(PO{sub 4}){sub 6}O{sub 1.8}

    SciTech Connect (OSTI)

    Tmar Trabelsi, I.; Madani, A.; Mercier, A.M.; Toumi, M.

    2013-01-15

    The structure of Ca{sub 8.4}Bi{sub 1.6}(PO{sub 4}){sub 6}O{sub 1.8}, isostructural with Fluoroapatite, was determined by X-ray powder diffraction methods. The results of Rietveld refinement revealed that the formula of this compound is [Ca{sub 4}]{sup 4f}[Ca{sub 4.4}Bi{sub 1.6}]{sup 6h}(PO{sub 4}){sub 6}[O{sub 1.8}]{sup 2a}, space group P63/m (a=9.468 (3) A, c=6.957 (3) A). A total substitution of Bi{sup 3+} ions in the (6h) sites was related particularly to the high polarizability of the Bi{sup 3+} ion compared to Ca{sup 2+}. The observed frequencies in the Raman and infrared spectra were explained and discussed on the basis of unit-cell group analyses and in comparison with Fluoroapatite and other oxyapatites. The ionic conductivity over a wide range of temperature was investigated according to the complex impedance method. The highest overall conductivity values were found at {sigma}{sub 700 Degree-Sign C} =5.03 Multiplication-Sign 10{sup -7} S cm{sup -1} and E{sub a}=0.50 eV. - Graphical abstract: The final Rietveld refinement plot of the Ca{sub 8.4}Bi{sub 1.6} (PO{sub 4}){sub 6}O{sub 1.8}. Highlights: Black-Right-Pointing-Pointer The Rietveld refinement revealed that the formula of this compound is Ca{sub 8.4}Bi{sub 1.6}(PO{sub 4}){sub 6}O{sub 1.8}. Black-Right-Pointing-Pointer Vibrational spectroscopy supports the high symmetry P63/m space group for this apatite. Black-Right-Pointing-Pointer This apatite contained channels where oxygen ions were located in 2a sites. Black-Right-Pointing-Pointer The possibility of anionic conduction along these channels was considered.

  3. Pb{sub 5}Fe{sub 3}TiO{sub 11}Cl: A rare example of Ti(IV) in a square pyramidal oxygen coordination

    SciTech Connect (OSTI)

    Batuk, Maria; Batuk, Dmitry; Abakumov, Artem M.; Hadermann, Joke

    2014-07-01

    A new oxychloride Pb{sub 5}Fe{sub 3}TiO{sub 11}Cl has been synthesized using the solid state method. Its crystal and magnetic structure was investigated in the 1.5–550 K temperature range using electron diffraction, high angle annular dark field scanning transmission electron microscopy, atomic resolution energy dispersive X-ray spectroscopy, neutron and X-ray powder diffraction. At room temperature Pb{sub 5}Fe{sub 3}TiO{sub 11}Cl crystallizes in the P4/mmm space group with the unit cell parameters a=3.91803(3) Ĺ and c=19.3345(2) Ĺ. Pb{sub 5}Fe{sub 3}TiO{sub 11}Cl is a new n=4 member of the oxychloride perovskite-based homologous series A{sub n+1}B{sub n}O{sub 3n?1}Cl. The structure is built of truncated Pb{sub 3}Fe{sub 3}TiO{sub 11} quadruple perovskite blocks separated by CsCl-type Pb{sub 2}Cl slabs. The perovskite blocks consist of two layers of (Fe,Ti)O{sub 6} octahedra sandwiched between two layers of (Fe,Ti)O{sub 5} square pyramids. The Ti{sup 4+} cations are preferentially located in the octahedral layers, however, the presence of a noticeable amount of Ti{sup 4+} in a five-fold coordination environment has been undoubtedly proven using neutron powder diffraction and atomic resolution compositional mapping. Pb{sub 5}Fe{sub 3}TiO{sub 11}Cl is antiferromagnetically ordered below 450(10) K. The ordered Fe magnetic moments at 1.5 K are 4.06(4) ?{sub B} and 3.86(5) ?{sub B} on the octahedral and square-pyramidal sites, respectively. - Highlights: • Pb{sub 5}Fe{sub 3}TiO{sub 11}Cl has been synthesized using the solid state method. • The structure has been refined using neutron powder diffraction data at 1.5–550 K. • It is a new n=4 member of the perovskite-related homologous series A{sub n+1}B{sub n}O{sub 3n?1}Cl. • Ti{sup 4+} cations have both octahedral and square-pyramidal coordination environment. • Pb{sub 5}Fe{sub 3}TiO{sub 11}Cl is antiferromagnetically ordered below T{sub N}?450 K.

  4. Structural phase transition, narrow band gap, and room-temperature ferromagnetism in [KNbO{sub 3}]{sub 1?x}[BaNi{sub 1/2}Nb{sub 1/2}O{sub 3??}]{sub x} ferroelectrics

    SciTech Connect (OSTI)

    Zhou, Wenliang; Yang, Pingxiong Chu, Junhao; Deng, Hongmei

    2014-09-15

    Structural phase transition, narrow band gap (E{sub g}), and room-temperature ferromagnetism (RTFM) have been observed in the [KNbO{sub 3}]{sub 1?x}[BaNi{sub 1/2}Nb{sub 1/2}O{sub 3??}]{sub x} (KBNNO) ceramics. All the samples have single phase perovskite structure, but exhibit a gradual transition behaviour from the orthorhombic to a cubic structure with the increase of x. Raman spectroscopy analysis not only corroborates this doping-induced change in normal structure but also shows the local crystal symmetry for x ? 0.1 compositions to deviate from the idealized cubic perovskite structure. A possible mechanism for the observed specific changes in lattice structure is discussed. Moreover, it is noted that KBNNO with compositions x?=?0.1–0.3 have quite narrow E{sub g} of below 1.5?eV, much smaller than the 3.2?eV band gap of parent KNbO{sub 3} (KNO), which is due to the increasing Ni 3d electronic states within the gap of KNO. Furthermore, the KBNNO materials present RTFM near a tetragonal to cubic phase boundary. With increasing x from 0 to 0.3, the magnetism of the samples develops from diamagnetism to ferromagnetism and paramagnetism, originating from the ferromagnetic–antiferromagnetic competition. These results are helpful in the deeper understanding of phase transitions, band gap tunability, and magnetism variations in perovskite oxides and show the potential role, such materials can play, in perovskite solar cells and multiferroic applications.

  5. Wave-function engineering and absorption spectra in Si{sub 0.16}Ge{sub 0.84}/Ge{sub 0.94}Sn{sub 0.06}/Si{sub 0.16}Ge{sub 0.84} strained on relaxed Si{sub 0.10}Ge{sub 0.90} type I quantum well

    SciTech Connect (OSTI)

    Yahyaoui, N., E-mail: naima.yahyaoui@yahoo.fr, E-mail: moncef-said@yahoo.fr; Sfina, N.; Said, M., E-mail: naima.yahyaoui@yahoo.fr, E-mail: moncef-said@yahoo.fr [Laboratoire de la Matičre Condensée et des Nanosciences (LMCN), Département de Physique, Faculté des Sciences de Monastir, Avenue de l'Environnement, 5019 Monastir (Tunisia); Lazzari, J.-L. [Centre Interdisciplinaire de Nanoscience de Marseille (CINaM), UMR CNRS 7325, Aix-Marseille Université, Case 913, Campus de Luminy, 13288 Marseille cedex 9 (France); Bournel, A. [Institut d'Electronique Fondamentale (IEF), UMR CNRS 8622, Université Paris-Sud, Bât. 220, 91405 Orsay cedex (France)

    2014-01-21

    We theoretically investigate germanium-tin alloy as a semiconductor for the design of near infrared optical modulators in which the Ge{sub 1?x}Sn{sub x} alloy is the active region. We have calculated the electronic band parameters for heterointerfaces between strained Ge{sub 1?x}Sn{sub x} and relaxed Si{sub 1?y}Ge{sub y}. Then, a type-I strain-compensated Si{sub 0.10}Ge{sub 0.90}/Si{sub 0.16}Ge{sub 0.84}/Ge{sub 0.94}Sn{sub 0.06} quantum well heterostructure optimized in terms of compositions and thicknesses is studied by solving Schrödinger equation without and under applied bias voltage. The strong absorption coefficient (>1.5?×?10{sup 4}?cm{sup ?1}) and the shift of the direct transition under large Stark effect at 3?V are useful characteristics for the design of optoelectronic devices based on compressively strained IV-IV heterostructures at near infrared wavelengths.

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

    DOE Patents [OSTI]

    Tomczuk, Z.; Miller, W.E.

    1992-01-01

    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}.

  7. 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

    2013-03-15

    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.

  8. Itinerant ferromagnetism in the As 4p conduction band of Ba<sub>0.6sub>K>0.4sub>Mn>2sub>As>2sub> identified by x-ray magnetic circular dichroism

    SciTech Connect (OSTI)

    Ueland, B. G.; Pandey, Abhishek; Lee, Y.; Sapkota, A.; Choi, Y.; Haskel, D.; Rosenberg, R. A.; Lang, J. C.; Harmon, B. N.; Johnston, D. C.; Kreyssig, A.; Goldman, A. I.

    2015-05-27

    In this study, x-ray magnetic circular dichroism (XMCD) measurements on single-crystal and powder samples of Ba<sub>0.6sub>K>0.4sub>Mn>2sub>As>2sub> show that the ferromagnetism below T<sub>C> ? 100 K arises in the As 4p conduction band. No XMCD signal is observed at the Mn x-ray absorption edges. Below T<sub>C>, however, a clear XMCD signal is found at the As K edge which increases with decreasing temperature. The XMCD signal is absent in data taken with the beam directed parallel to the crystallographic c axis indicating that the orbital magnetic moment lies in the basal plane of the tetragonal lattice. These results show that the previously reported itinerant ferromagnetism is associated with the As 4p conduction band and that distinct local-moment antiferromagnetism and itinerant ferromagnetism with perpendicular easy axes coexist in this compound at low temperature.

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

    DOE Patents [OSTI]

    Tomczuk, Z.; Miller, W.E.

    1994-10-18

    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].

  10. The chemical instability of Na{sub 2}IrO{sub 3} in air

    SciTech Connect (OSTI)

    Krizan, J.W., E-mail: jkrizan@princeton.edu; Roudebush, J.H.; Fox, G.M.; Cava, R.J.

    2014-04-01

    Highlights: • Na{sub 2}IrO{sub 3} decomposes rapidly in laboratory air. • The decomposition requires the simultaneous presence of CO{sub 2} and H{sub 2}O. • Decomposition results in a dramatic change in the magnetic properties. • Second 5 K feature in magnetic susceptibility not previously reported. - Abstract: We report that Na{sub 2}IrO{sub 3}, which has a layered honeycomb iridium oxide sublattice interleaved by Na planes, decomposes in laboratory air while maintaining the same basic crystal structure. The decomposition reaction was monitored by time-dependent powder X-ray diffraction under different ambient atmospheres, through which it was determined that it occurs only in the simultaneous presence of both CO{sub 2} and H{sub 2}O. A hydrated sodium carbonate is the primary decomposition product along with altered Na{sub 2}IrO{sub 3}. The diffraction signature of the altered Na{sub 2}IrO{sub 3} is quite similar to that of the pristine material, which makes the detection of decomposition difficult in a sample handled under ordinary laboratory conditions. The decomposed samples show a significantly decreased magnetic susceptibility and the disappearance of the low temperature antiferromagnetic transition considered to be characteristic of the phase. Samples that have never been exposed to air after synthesis display a previously unreported magnetic transition at 5 K.

  11. Recovery of UO.sub.2 /Pu O.sub.2 in IFR electrorefining process

    DOE Patents [OSTI]

    Tomczuk, Zygmunt (Lockport, IL); Miller, William E. (Naperville, IL)

    1994-01-01

    A process 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.

  12. Structural, spectroscopic and dielectric investigations on Ba{sub 8}Zn(Nb{sub 6-x}Sb{sub x})O{sub 24} microwave ceramics

    SciTech Connect (OSTI)

    Suresh, M.K.; John, Annamma; Thomas, J.K.; Wariar, P.R.S. [Department of Physics, Mar Ivanios College, Thiruvananthapuram 695015, Kerala (India)] [Department of Physics, Mar Ivanios College, Thiruvananthapuram 695015, Kerala (India); Solomon, Sam, E-mail: samdmrl@yahoo.com [Department of Physics, Mar Ivanios College, Thiruvananthapuram 695015, Kerala (India)] [Department of Physics, Mar Ivanios College, Thiruvananthapuram 695015, Kerala (India)

    2010-10-15

    Ba{sub 8}Zn(Nb{sub 6-x}Sb{sub x})O{sub 24} (x = 0, 0.3, 0.6, 0.9, 1.2, 1.5, 1.8 and 2.4) ceramics were prepared through the conventional solid-state route. The materials were calcined at 1250 {sup o}C and sintered in the range 1400-1425 {sup o}C. The structure of the system was analyzed by X-ray diffraction, Fourier transform infrared and Raman spectroscopic methods. The theoretical and experimental densities were calculated. The microstructure of the sintered pellets was analyzed using scanning electron microscopy. The low frequency dielectric properties were studied in the frequency range 50 Hz-2 MHz. The dielectric constant ({epsilon}{sub r}), temperature coefficient of resonant frequency ({tau}{sub f}) and the unloaded quality factor (Q{sub u}) are measured in the microwave frequency region using cavity resonator method. The {tau}{sub f} values of the samples reduced considerably with the increase in Sb concentration. The materials have intense emission lines in the visible region. The compositions have good microwave dielectric properties and photoluminescence and hence are suitable for dielectric resonator and ceramic laser applications.

  13. Synthesis and photoluminescence properties of Ca{sub 19}Mg{sub 2}(PO{sub 4}){sub 14}:Sm{sup 3+} red phosphor for white light emitting diodes

    SciTech Connect (OSTI)

    Zhu, Ge; Ci, Zhipeng; Shi, Yurong; Wang, Yuhua

    2014-07-01

    Highlights: • A novel red phosphor Ca{sub 19}Mg{sub 2}(PO{sub 4}){sub 14}:Sm{sup 3+} was synthesized and investigated firstly. • The structure and characteristic luminescence properties are discussed. • The excellent thermal stability was found and investigated. • It has good color saturation, the CIE is close to that of commercial Y{sub 2}O{sub 3}:Eu{sup 3+}. - Abstract: A series of Sm{sup 3+} doped Ca{sub 19}Mg{sub 2}(PO{sub 4}){sub 14} red phosphors were successfully synthesized. X-ray diffraction analysis indicates that all the samples are single phased. The luminescence property is investigated in detail by measuring their photoluminescence excitation and emission spectra. Ca{sub 19}Mg{sub 2}(PO{sub 4}){sub 14}:Sm{sup 3+} phosphors show strong absorption in 400–410 nm region, which is suitable for application in LEDs. When excited at 403 nm, Ca{sub 19}Mg{sub 2}(PO{sub 4}){sub 14}:Sm{sup 3+} phosphor can emit red emission with CIE chromaticity coordinates (0.615, 0.384). The optimal doping concentration of Sm{sup 3+} doped Ca{sub 19}Mg{sub 2}(PO{sub 4}){sub 14} is measured to be 0.02. The thermal quenching property is also measured and compared with the commercial red phosphor Y{sub 2}O{sub 3}:Eu{sup 3+} (Topstar, TXC-RIA). The results indicate Ca{sub 19}Mg{sub 2}(PO{sub 4}){sub 14}:Sm{sup 3+} phosphors have potential to serve as a red phosphor for white LEDs.

  14. Glass formation and the third harmonic generation of Cu{sub 2}Se–GeSe{sub 2}–As{sub 2}Se{sub 3} glasses

    SciTech Connect (OSTI)

    Reshak, A. H.; Klymovych, O. S.; Zmiy, O. F.; Myronchuk, G. L.; Zamuruyeva, O. V.; Alahmed, Z. A.; Chyský, J.; Bila, Jiri; Kamarudin, H.

    2014-10-14

    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}Se–GeSe{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.

  15. 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)

    2014-09-15

    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.

  16. Synthesis of novel MoS{sub 2}/g-C{sub 3}N{sub 4} heterojunction photocatalysts with enhanced hydrogen evolution activity

    SciTech Connect (OSTI)

    Tian, Yuming; Ge, Lei; Wang, Kaiyue; Chai, Yuesheng

    2014-01-15

    Novel MoS{sub 2}/g-C{sub 3}N{sub 4} heterojunction photocatalysts were synthesized via a simple impregnation and heating methods. The products were characterized by X-ray diffraction, transmission electron microscopy and UV–vis diffuse reflectance spectra. The photocatalytic activities of MoS{sub 2}/g-C{sub 3}N{sub 4} samples were evaluated based on the hydrogen evolution experiments under visible light irradiation (? > 400 nm). The UV–vis diffuse reflectance spectra revealed that the MoS{sub 2}/g-C{sub 3}N{sub 4} photocatalysts had strong absorption in the visible light region. The photocatalytic results indicated that the highest H{sub 2} evolution rate of 23.10 ?mol·h{sup ?1} was achieved on the 0.5 wt.% MoS{sub 2}–g-C{sub 3}N{sub 4} sample, which was enhanced by 11.3 times compared to pure g-C{sub 3}N{sub 4}. This study may provide an approach to the development of novel heterojunction photocatalysts for hydrogen production under visible light irradiation. - Highlights: • MoS{sub 2}/g-C{sub 3}N{sub 4} photocatalyst is obtained by simple impregnation and heating methods. • and determined by XRD, TEM, UV-vis diffuse reflectance spectra. • the photocatalysts had strong absorption in the visible light region. • the highest H2 evolution rate was achieved on the 0.5wt% samples.

  17. Large magnetic entropy change and adiabatic temperature rise of a Gd{sub 55}Al{sub 20}Co{sub 20}Ni{sub 5} bulk metallic glass

    SciTech Connect (OSTI)

    Xia, L., E-mail: xialei@shu.edu.cn [Key Laboratory for Microstructure and Institute of Materials, Shanghai University, Shanghai 200072 (China); Department of Industrial and Systems Engineering, The Hong Kong Polytechnic University, Hung Hom (Hong Kong); Tang, M. B. [Shanghai Institute of Ceramics, Chinese Academy of Science, Shanghai 200050 (China); Chan, K. C. [Department of Industrial and Systems Engineering, The Hong Kong Polytechnic University, Hung Hom (Hong Kong); Dong, Y. D. [Key Laboratory for Microstructure and Institute of Materials, Shanghai University, Shanghai 200072 (China)

    2014-06-14

    Gd{sub 55}Al{sub 20}Co{sub 20}Ni{sub 5} bulk metallic glass (BMG) was synthesized by minor Ni substitution for Co in the Gd{sub 55}Al{sub 20}Co{sub 25} BMG in which excellent glass forming ability (GFA) and magneto-caloric effect were reported previously. The Gd{sub 55}Al{sub 20}Ni{sub 20}Co{sub 5} amorphous rod has a similar GFA to the Gd{sub 55}Al{sub 20}Co{sub 25} BMG but exhibits better magnetic properties. The peak value of magnetic entropy change (??S{sub m}{sup peak}) of the Gd{sub 55}Al{sub 20}Co{sub 20}Ni{sub 5} BMG is 9.8 Jkg{sup ?1} K{sup ?1}. The field dependence of ??S{sub m}{sup peak} follows a ??S{sub m}{sup peak}?H{sup 0.85} relationship. The adiabatic temperature rise of the rod is 4.74?K under 5 T and is larger than of other BMGs previously reported. The improved magnetic properties were supposed to be induced by the enhanced interaction between 4f electron in the rare-earth and 3d electron in the transition metal elements by means of a minor Ni substitution for Co.

  18. Metal-organic molecular device for non-volatile memory storage

    SciTech Connect (OSTI)

    Radha, B., E-mail: radha.boya@manchester.ac.uk, E-mail: kulkarni@jncasr.ac.in; Sagade, Abhay A.; Kulkarni, G. U., E-mail: radha.boya@manchester.ac.uk, E-mail: kulkarni@jncasr.ac.in [Chemistry and Physics of Materials Unit and DST Unit on Nanoscience, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur P.O., Bangalore 560064 (India)

    2014-08-25

    Non-volatile memory devices have been of immense research interest for their use in active memory storage in powered off-state of electronic chips. In literature, various molecules and metal compounds have been investigated in this regard. Molecular memory devices are particularly attractive as they offer the ease of storing multiple memory states in a unique way and also represent ubiquitous choice for miniaturized devices. However, molecules are fragile and thus the device breakdown at nominal voltages during repeated cycles hinders their practical applicability. Here, in this report, a synergetic combination of an organic molecule and an inorganic metal, i.e., a metal-organic complex, namely, palladium hexadecylthiolate is investigated for memory device characteristics. Palladium hexadecylthiolate following partial thermolysis is converted to a molecular nanocomposite of Pd(II), Pd(0), and long chain hydrocarbons, which is shown to exhibit non-volatile memory characteristics with exceptional stability and retention. The devices are all solution-processed and the memory action stems from filament formation across the pre-formed cracks in the nanocomposite film.

  19. Combustion rates of chars from high-volatile fuels for FBC application

    SciTech Connect (OSTI)

    Masi, S.; Salatino, P.; Senneca, O.

    1997-12-31

    The fluidized bed combustion of high volatile fuels is often associated with huge occurrence of comminution phenomena. These result into in-bed generation of substantial amounts of carbon fines which further undergo competitive processes of combustion and elutriation. The small size of carbon fines generated by comminution is such that their further combustion is largely controlled by the intrinsic kinetics of carbon oxidation, alone or in combination with intraparticle diffusion. The competition between fine combustion and elutriation strongly affects the efficiency of fixed carbon conversion and calls for thorough characterization of the combustion kinetics and of residence times of fines in a fluidized bed of coarse solids. In this paper a collection of intrinsic combustion kinetic and porosimetric data for chars from three high-volatile fuels suitable for FBC application is presented. Chars from a Refuse Derived Fuel (RDF), a Tyre Derived Fuel (TDF) and a biomass (Robinia Pseudoacacia) are obtained from devolatilization, in fluidized bed, of fuel samples. Thermogravimetric analysis, mercury porosimetry and helium pycnometry are used to characterize the reactivity and the pore structure of the chars. Combustion rates are characterized over a wide range of temperatures (320--850 C) and oxygen partial pressures, covering the entire range of interest in fluidized bed combustion. Analysis of thermogravimetric and porosimetric data is directed to obtaining the parameters (pre-exponential factors, reaction orders, activation energies, intraparticle diffusivities) of combustion kinetic submodels for application in fluidized bed combustor modeling.

  20. Scaling and memory of intraday volatility return intervals in stock market

    E-Print Network [OSTI]

    Wang, F; Stanley, H E; Yamasaki, K; Havlin, Shlomo; Wang, Fengzhong; Yamasaki, Kazuko

    2006-01-01

    We study the return interval $\\tau$ between price volatilities that are above a certain threshold $q$ for 31 intraday datasets, including the Standard & Poor's 500 index and the 30 stocks that form the Dow Jones Industrial index. For different threshold $q$, the probability density function $P_q(\\tau)$ scales with the mean interval $\\bar{\\tau}$ as $P_q(\\tau)={\\bar{\\tau}}^{-1}f(\\tau/\\bar{\\tau})$, similar to that found in daily volatilities. Since the intraday records have significantly more data points compared to the daily records, we could probe for much higher thresholds $q$ and still obtain good statistics. We find that the scaling function $f(x)$ is consistent for all 31 intraday datasets in various time resolutions, and the function is well approximated by the stretched exponential, $f(x)\\sim e^{-a x^\\gamma}$, with $\\gamma=0.38\\pm 0.05$ and $a=3.9\\pm 0.5$, which indicates the existence of correlations. We analyze the conditional probability distribution $P_q(\\tau|\\tau_0)$ for $\\tau$ following a certa...