National Library of Energy BETA

Sample records for volatile sub stances

  1. Interfacial charge-mediated non-volatile magnetoelectric coupling in Co<sub>0.3sub>Fe>0.7sub>/Ba>0.6sub>Sr>0.4sub>TiO>3sub>/Nb:SrTiO>3sub> multiferroic heterostructures

    SciTech Connect (OSTI)

    Zhou, Ziyao; Howe, Brandon M.; Liu, Ming; Nan, Tianxiang; Chen, Xing; Mahalingam, Krishnamurthy; Sun, Nian X.; Brown, Gail J.

    2015-01-13

    The central challenge in realizing non-volatile, E-field manipulation of magnetism lies in finding an energy efficient means to switch between the distinct magnetic states in a stable and reversible manner. In this work, we demonstrate using electrical polarization-induced charge screening to change the ground state of magnetic ordering in order to non-volatilely tune magnetic properties in ultra-thin Co<sub>0.3sub>Fe>0.7sub>/Ba>0.6sub>Sr>0.4sub>TiO>3sub>/Nb:SrTiO>3sub> (001) multiferroic heterostructures. A robust, voltage-induced, non-volatile manipulation of out-of-plane magnetic anisotropy up to 40 Oe is demonstrated and confirmed by ferromagnetic resonance measurements. This discovery provides a framework for realizing charge-sensitive order parameter tuning in ultra-thin multiferroic heterostructures, demonstrating great potential for delivering compact, lightweight, reconfigurable, and energy-efficient electronic devices.

  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. High temperature corrosion studies. A. Iron: based superalloy in SO/sub 2//O/sub 2/ atmospheres. B. Gas: solid reaction with formation of volatile species

    SciTech Connect (OSTI)

    Liu, T.K.

    1980-03-01

    The thermogravimetric method was used to study high temperature corrosion under SO/sub 2//O/sub 2/ atmosphere applied to Armco 18SR alloys with different heat treatment histories, Armco T310 and pure chromium between 750 and 1100/sup 0/C. The weight gain follows the parabolic rate law. The volatilization of the protective Cr/sub 2/O/sub 3/ layer via formation of CrO/sub 3/ was taken into account above 900/sup 0/C for long time runs. The parabolic rate and the volatilization rate, derived from fitting the experimental data to the modified Tedmon's non-linear model, were correlated using the Arrhenius equation. Armco 18SR-C has the best corrosion resistance of the Armco 18SR alloys. Armco T310 is not protective at high temperatures. The available rate data on the oxidation of chromium oxide, chlorination of chromium, oxidation-chlorination of chromium oxide, chlorination of nickel and chlorination of iron were found to be predictable. The calculation of high temperature volatilization rate was performed using the available fluid correlation equations and the Lennard-Jones parameters derived from the molecule with similar structure and from the low temperature viscosity measurement. The lower predicted volatilization rate is due to the use of the Chapman-Enskog equation with the Lennard-Jones parameters mostly derived from the low temperature viscosity measurement. This was substantiated by comparing the reliable high temperature diffusion rate in the literature with the above mentioned calculational method. The experimental volatilization rates of this study are compared with the other related studies and the mass transfer predictions.

  4. Current status of fluoride volatility method development

    SciTech Connect (OSTI)

    Uhlir, J.; Marecek, M.; Skarohlid, J.

    2013-07-01

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

  5. Theoretical predictions of properties and volatility of chlorides and oxychlorides of group-4 elements. I. Electronic structures and properties of MCl{sub 4} and MOCl{sub 2} (M = Ti, Zr, Hf, and Rf)

    SciTech Connect (OSTI)

    Pershina, V.; Borschevsky, A.; Iliaš, M.

    2014-08-14

    Relativistic, infinite order exact two-component, density functional theory electronic structure calculations were performed for MCl{sub 4} and MOCl{sub 2} of group-4 elements Ti, Zr, Hf, and element 104, Rf, with the aim to predict their behaviour in gas-phase chromatography experiments. RfCl{sub 4} and RfOCl{sub 2} were shown to be less stable than their lighter homologs in the group, tetrachlorides and oxychlorides of Zr and Hf, respectively. The oxychlorides turned out to be stable as a bent structure, though the stabilization energy with respect to the flat one (C{sub 2v}) is very small. The trend in the formation of the tetrachlorides from the oxychlorides in group 4 is shown to be Zr < Hf < Rf, while the one in the formation of the oxychlorides from the chlorides is opposite. All the calculated properties are used to estimate adsorption energy of these species on various surfaces in order to interpret results of gas-phase chromatography experiments, as is shown in Paper II.

  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. Volatile fluoride process for separating plutonium from other materials

    DOE Patents [OSTI]

    Spedding, F. H.; Newton, A. S.

    1959-04-14

    The separation of plutonium from uranium and/or fission products by formation of the higher fluorides off uranium and/or plutonium is described. Neutronirradiated uranium metal is first converted to the hydride. This hydrided product is then treated with fluorine at about 315 deg C to form and volatilize UF/sub 6/ leaving plutonium behind. Thc plutonium may then be separated by reacting the residue with fluorine at about 5004DEC and collecting the volatile plutonium fluoride thus formed.

  8. Oil Price Volatility

    U.S. Energy Information Administration (EIA) Indexed Site

    Speculation and Oil Price Volatility Robert J. Weiner Robert J. Weiner Professor of International Business, Public Policy & Professor of International Business, Public Policy & Public Administration, and International Affairs Public Administration, and International Affairs George Washington University; George Washington University; Membre Associ Membre Associ é é , GREEN, Universit , GREEN, Universit é é Laval Laval EIA Annual Conference Washington Washington 7 April 2009 7 April

  9. Fluorination behavior of UO{sub 2}F{sub 2} in the presence of F{sub 2} and O{sub 2}

    SciTech Connect (OSTI)

    Matsuda, Minoru; Sato, Nobuaki; Kirishima, Akira; Tochiyama, Osamu

    2007-07-01

    To apply the fluoride volatility process to the spent nuclear fuel, fluorination of UO{sub 2} by fluorine has been studied. In this reaction, it is possible that the U-O-F compounds, such as UO{sub 2}F{sub 2}, are produced. Therefore, study of such compounds is useful in order to know the fluorination behavior of UO{sub 2}. This paper presents the fluorination behavior of UO{sub 2}F{sub 2} in the presence of F{sub 2} and O{sub 2}, analyzed by thermogravimetry and differential thermal analysis (TG-DTA) method using anti-corrosion type differential thermo-balance. In fluorine gas, exothermic peaks appeared and volatilization of UF{sub 6}. In oxygen gas, only slowly pace decomposition was measured from UO{sub 22} to UF{sub 6} and UO{sub 3}. (authors)

  10. ARM - Measurement - Volatile organic compounds

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

    govMeasurementsVolatile organic compounds ARM Data Discovery Browse Data Comments? We would love to hear from you! Send us a note below or call us at 1-888-ARM-DATA. Send Measurement : Volatile organic compounds The quantity or concentration measure of volatile organic compounds including both man-made and naturally occurring chemical compounds (this is inclusive of hydrocarbons). Categories Aerosols Instruments The above measurement is considered scientifically relevant for the following

  11. Volatile chemical reagent detector

    DOE Patents [OSTI]

    Chen, Liaohai; McBranch, Duncan; Wang, Rong; Whitten, David

    2004-08-24

    A device for detecting volatile chemical reagents based on fluorescence quenching analysis that is capable of detecting neutral electron acceptor molecules. The device includes a fluorescent material, a contact region, a light source, and an optical detector. The fluorescent material includes at least one polymer-surfactant complex. The polymer-surfactant complex is formed by combining a fluorescent ionic conjugated polymer with an oppositely charged surfactant. The polymer-surfactant complex may be formed in a polar solvent and included in the fluorescent material as a solution. Alternatively, the complex may be included in the fluorescent material as a thin film. The use of a polymer-surfactant complex in the fluorescent material allows the device to detect both neutral and ionic acceptor molecules. The use of a polymer-surfactant complex film allows the device and the fluorescent material to be reusable after exposing the fluorescent material to a vacuum for limited time.

  12. 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.

  13. 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.

  14. FLUORIDE VOLATILITY PROCESS FOR THE RECOVERY OF URANIUM

    DOE Patents [OSTI]

    Katz, J.J.; Hyman, H.H.; Sheft, I.

    1958-04-15

    The separation and recovery of uraniunn from contaminants introduced by neutron irradiation by a halogenation and volatilization method are described. The irradiated uranium is dissolved in bromine trifluoride in the liquid phase. The uranium is converted to the BrF/sub 3/ soluble urmium hexafluoride compound whereas the fluorides of certain contaminating elements are insoluble in liquid BrF/sub 3/, and the reaction rate of the BrF/sub 3/ with certain other solid uranium contamirnnts is sufficiently slower than the reaction rate with uranium that substantial portions of these contaminating elements will remain as solids. These solids are then separated from the solution by a distillation, filtration, or centrifugation step. The uranium hexafluoride is then separated from the balance of the impurities and solvent by one or more distillations.

  15. 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.

  16. Volatile organic compound sensor system

    DOE Patents [OSTI]

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

    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.

  17. CVD method for forming B.sub.i -containing oxide superconducting films

    DOE Patents [OSTI]

    Wessels, Bruce W. (Wilmette, IL); Marks, Tobin J. (Evanston, IL); Richeson, Darrin S. (Evanston, IL); Tonge, Lauren M. (Sanford, MI); Zhang, Jiming (Chicago, IL)

    1994-01-01

    Films of high T.sub.c Bi-Sr-Ca-Cu-O superconductor have been prepared by MOCVD using volatile metal organic precursors and water vapor. The metal organic precursors are volatized along with a bismuth source, such as Bi(C.sub.6 H.sub.5).sub.3, deposited on a heated substrate to form a film, and annealed.

  18. 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.

  19. 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

  20. 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.

  1. Volatile organic compound sensing devices

    DOE Patents [OSTI]

    Lancaster, Gregory D.; Moore, Glenn A.; Stone, Mark L.; Reagen, William K.

    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.

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

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

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

  3. Diselenophosphate-Induced Conversion of an Achiral [Cu <sub>20sub> H <sub>11sub> {S <sub>2sub> P(O i Pr) <sub>2sub> } <sub>9sub> ] into a Chiral [Cu <sub>20sub> H <sub>11sub> {Se <sub>2sub> P(O i Pr) <sub>2sub> } <sub>9sub> ] Polyhydrido Nanocluster

    SciTech Connect (OSTI)

    Dhayal, Rajendra S.; Liao, Jian-Hong; Wang, Xiaoping; Liu, Yu-Chiao; Chiang, Ming-His; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.

    2015-11-09

    A polyhydrido copper nanocluster, [Cu<sub>20sub>H>11sub>{Se>2sub>P(OiPr)>2sub>}>9sub>] (2<sub>H>), which exhibits an intrinsically chiral inorganic core of C-3 symmetry, was synthesized from achiral [Cu<sub>20sub>H>11sub>{S>2sub>P(OiPr)>2sub>}>9sub>] (1(H)) of C-3h symmetry by a ligand-exchange method. Likewise, the structure has a distorted cuboctahedral Cu-13 core, two triangular faces of which are capped along the C-3 axis, one by a Cu-6 cupola and the other by a single Cu atom. The Cu-20 framework is further stabilized by 9 diselenophosphate and 11 hydride ligands. The number of hydride, phosphorus, and selenium resonances and their splitting patterns in multinuclear NMR spectra of 2(H) indicate that the chiral Cu20H11 core retains its C-3 symmetry in solution. Moreover, the 11 hydride ligands were located by neutron diffraction experiments and shown to be capping (3)-H and interstitial (5)-H ligands (in square-pyramidal and trigonal-bipyramidal cavities), as supported by DFT calculations on [Cu<sub>20sub>H>11sub>(Se>2sub>PH>2sub>)>9sub>] (2<sub>H>') as a simplified model.

  4. Modelling of volatility in monetary transmission mechanism

    SciTech Connect (OSTI)

    Dobešová, Anna; Klepáč, Václav; Kolman, Pavel; Bednářová, Petra

    2015-03-10

    The aim of this paper is to compare different approaches to modeling of volatility in monetary transmission mechanism. For this purpose we built time-varying parameter VAR (TVP-VAR) model with stochastic volatility and VAR-DCC-GARCH model with conditional variance. The data from three European countries are included in the analysis: the Czech Republic, Germany and Slovakia. Results show that VAR-DCC-GARCH system captures higher volatility of observed variables but main trends and detected breaks are generally identical in both approaches.

  5. 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.

  6. 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.

  7. Bioorganic nanodots for non-volatile memory devices

    SciTech Connect (OSTI)

    Amdursky, Nadav; Shalev, Gil; Handelman, Amir; Natan, Amir; Rosenwaks, Yossi; Litsyn, Simon; Szwarcman, Daniel; Rosenman, Gil; Roizin, Yakov

    2013-12-01

    In recent years we are witnessing an intensive integration of bio-organic nanomaterials in electronic devices. Here we show that the diphenylalanine bio-molecule can self-assemble into tiny peptide nanodots (PNDs) of ∼2 nm size, and can be embedded into metal-oxide-semiconductor devices as charge storage nanounits in non-volatile memory. For that purpose, we first directly observe the crystallinity of a single PND by electron microscopy. We use these nanocrystalline PNDs units for the formation of a dense monolayer on SiO{sub 2} surface, and study the electron/hole trapping mechanisms and charge retention ability of the monolayer, followed by fabrication of PND-based memory cell device.

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

    SciTech Connect (OSTI)

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

    1993-09-15

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

  9. A new model for thermal volatilization of solid particles undergoing flash-pyrolysis

    SciTech Connect (OSTI)

    Villermaux, J.; Antoine, B.; Lede, J.; Soulignac, F.

    1983-01-01

    The authors propose a new model describing the volatilization of a solid by thermal penetration (VTP model). This model was initially imagined for interpreting flash-pyrolysis of sawdust particles. Actually, it could be applied to any kind of solid reactions where volatilization is controlled by heat conduction from the outer surface. Although relying on very simple assumptions, the VTP model makes it possible to estimate the rate of consumption of solid particles as a function of physicochemical parameters. Evidence for the existence of two volatilization regimes is provided, depending on the value of the thermal Thiele Modulus M and the thermal Biot number B. The ablation regime is achieved if both M = t /SUB T/ /t /SUB R/ and B = hL /SUB o/ /lambda are large (M, B > 100). In this regime, the shrinking velocity is constant and the reaction takes place only in a thin layer at the solid surface. Experimental data on wood pyrolysis obtained with sawdust or with massive rods confirm the existence of these two regimes (see companion paper). Total consumption times estimated in a cyclone reactor or direct measurement of ablation velocities are in agreement with theoretical predictions of the VPT model. These preliminary results have been obtained with very simple numerical methods which are not best adapted to the ''stiff'' conditions encountered in the ablation regime (M and B both large). Further improvements are in progress, which will make it possible to perform more accurate simulations in a broader range of variation of parameters.

  10. Remarkably robust and correlated coherence and antiferromagnetism in (Ce<sub>1-xsub>Lax)Cu>2sub>Ge>2sub>

    SciTech Connect (OSTI)

    Hodovanets, H.; Budko, S. L.; Straszheim, W. E.; Taufour, V.; Mun, E. D.; Kim, H.; Flint, R.; Canfield, P. C.

    2015-06-08

    We present magnetic susceptibility, resistivity, specific heat, and thermoelectric power measurements on (Ce<sub>1-xsub>Lax)Cu>2sub>Ge>2sub> single crystals (0 ? x ? 1). With La-substitution, the antiferromagnetic temperature T<sub>N> is suppressed in an almost linear fashion and moves below 0.36 K, the base temperature of our measurements for x > 0.8. Surprisingly, in addition to robust antiferromagnetism, the system also shows low temperature coherent scattering below T<sub>coh> up to ~0.9 of La, indicating a small percolation limit ~9% of Ce. T<sub>coh> as a function of magnetic field was found to have different behavior for x < 0.9 and x > 0.9. Remarkably, (T<sub>coh>)2 at H = 0 was found to be linearly proportional to T<sub>N>. In conclusion, the jump in the magnetic specific heat ?C<sub>m> at T<sub>N> as a function of T<sub>K/TN> for (Ce<sub>1-xsub>Lax)Cu>2sub>Ge>2sub> follows the theoretical prediction based on the molecular field calculation for the S = 1/2 resonant level model.

  11. Remarkably robust and correlated coherence and antiferromagnetism in (Ce<sub>1-xsub>Lax)Cu>2sub>Ge>2sub>

    SciTech Connect (OSTI)

    Hodovanets, H.; Bud’ko, S. L.; Straszheim, W. E.; Taufour, V.; Mun, E. D.; Kim, H.; Flint, R.; Canfield, P. C.

    2015-06-08

    We present magnetic susceptibility, resistivity, specific heat, and thermoelectric power measurements on (Ce<sub>1-xsub>Lax)Cu>2sub>Ge>2sub> single crystals (0 ≤ x ≤ 1). With La-substitution, the antiferromagnetic temperature T<sub>N> is suppressed in an almost linear fashion and moves below 0.36 K, the base temperature of our measurements for x > 0.8. Surprisingly, in addition to robust antiferromagnetism, the system also shows low temperature coherent scattering below T<sub>coh> up to ~0.9 of La, indicating a small percolation limit ~9% of Ce. T<sub>coh> as a function of magnetic field was found to have different behavior for x < 0.9 and x > 0.9. Remarkably, (T<sub>coh>)2 at H = 0 was found to be linearly proportional to T<sub>N>. In conclusion, the jump in the magnetic specific heat δC<sub>m> at T<sub>N> as a function of T<sub>K/TN> for (Ce<sub>1-xsub>Lax)Cu>2sub>Ge>2sub> follows the theoretical prediction based on the molecular field calculation for the S = 1/2 resonant level model.

  12. 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.

  13. 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 μ₀H) 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.

  14. Non-volatile memory for checkpoint storage

    SciTech Connect (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.

  15. Thermal Stabilization of {sup 233}UO{sub 2}, {sup 233}UO{sub 3}, and {sup 233}U{sub 3}O{sub 8}

    SciTech Connect (OSTI)

    Thein, S.M.

    2000-07-26

    This report identifies an appropriate thermal stabilization temperature for {sup 233}U oxides. The temperature is chosen principally on the basis of eliminating moisture and other residual volatiles. This report supports the U. S. Department of Energy (DOE) Standard for safe storage of {sup 233}U (DOE 2000), written as part of the response to Recommendation 97-1 of the Defense Nuclear Facilities Safety Board (DNFSB), addressing safe storage of {sup 233}U. The primary goals in choosing a stabilization temperature are (1) to ensure that the residual volatiles content is less than 0.5 wt % including moisture, which might produce pressurizing gases via radiolysis during long-term sealed storage; (2) to minimize potential for water readsorption above the 0.5 wt % threshold; and (3) to eliminate reactive uranium species. The secondary goals are (1) to reduce potential future chemical reactivity and (2) to increase the particle size thereby reducing the potential airborne release fraction (ARF) under postulated accident scenarios. The prevalent species of uranium oxide are the chemical forms UO{sub 2}, UO{sub 3}, and U{sub 3}O{sub 8}. Conversion to U{sub 3}O{sub 8} is sufficient to accomplish all of the desired goals. The preferred storage form is U{sub 3}O{sub 8} because it is more stable than UO{sub 2} or UO{sub 3} in oxidizing atmospheres. Heating in an oxidizing atmosphere at 750 C for at least one hour will achieve the thermal stabilization desired.

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

    DOE Patents [OSTI]

    Wingo, Robert M.; McCabe, Kirsten J.; Haarmann, Timothy K.

    2010-11-30

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

  17. Extended Research on Detection of Deception Using Volatile Organic...

    Office of Scientific and Technical Information (OSTI)

    Language: English Subject: 98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL PROTECTION; CENTRAL NERVOUS SYSTEM; DETECTION; ORGANIC COMPOUNDS; TESTING; VOLATILE MATTER deception, ...

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

    Office of Scientific and Technical Information (OSTI)

    Subject: 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; COPPER; COPPER COMPOUNDS; EVALUATION; POWER PLANTS; SOLUBILITY; STEAM; STEAM GENERATION; VOLATILITY; WATER

  19. Structure symmetry determination and magnetic evolution in Sr<sub>2sub>Ir>1–xsub>RhxO>4sub>

    SciTech Connect (OSTI)

    Ye, Feng; Wang, Xiaoping; Hoffmann, Christina; Wang, Jinchen; Chi, Songxue; Matsuda, Masaaki; Chakoumakos, Bryan C.; Fernandez-Baca, Jaime A.; Cao, Gang

    2015-11-23

    We use single-crystal neutron diffraction to determine the crystal structure symmetry and to study the magnetic evolution in the rhodium doped iridates Sr<sub>2sub>Ir>1–xsub>RhxO>4sub> (0 ≤ x ≤ 0.16). Throughout this doping range, the crystal structure retains a tetragonal symmetry (space group I4<sub>1sub>/a) with two distinct magnetic Ir sites in the unit cell forming staggered IrO<sub>6sub> rotation. Upon Rh doping, the magnetic order is suppressed and the magnetic moment of Ir4+ is reduced from 0.21 μ<sub>B>/Ir for x = 0 to 0.18 μ<sub>B>/Ir for x = 0.12. As a result, the magnetic structure at x = 0.12 is different from that of the parent compound while the moments remain in the basal plane.

  20. Thermodynamic Properties of α-Fe<sub>2sub>O>3sub> and Fe<sub>3sub>O>4sub> Nanoparticles

    SciTech Connect (OSTI)

    Spencer, Elinor C.; Ross, Nancy L.; Olsen, Rebecca E.; Huang, Baiyu; Kolesnikov, Alexander I.; Woodfield, Brian F.

    2015-04-21

    Here we comprehansively assessed the thermodynamic properties of hydrated α-Fe<sub>2sub>O>3sub> (hematite) and Fe<sub>3sub>O>4sub> (magnetite) nanoparticles. In addition to 9 nm Fe<sub>3sub>O>4sub>, three α-e<sub>2sub>O>3sub>nanoparticles samples of different sizes (11, 14, and 25 nm) and bulk α-e<sub>2sub>O>3sub> have been evaluated by inelastic neutron scattering methods. The contribution of the two-level magnetic spin flip transition to the heat capacity of the α-e<sub>2sub>O>3sub> particles has been determined. The isochoric heat capacity of the water confined on the surface of these two types of iron oxide particles have been calculated from their INS spectra, and is affected by the chemical composition of the underlying particle. Furthermore, the heat capacity and dynamics of the particle hydration layers appear to be influenced by a complex array of factors including particle size, water coverage, and possibly the magnetic state of the particle itself.

  1. Visible Light Assisted Photocatalytic Hydrogen Generation by Ta<sub>2sub>O>5sub>/Bi>2sub>O>3sub>, TaON/Bi<sub>2sub>O>3sub>, and Ta<sub>3sub>N>5sub>/Bi>2sub>O>3sub> Composites

    SciTech Connect (OSTI)

    Adhikari, Shiba; Hood, Zachary D.; More, Karren Leslie; Ivanov, Ilia N.; Zhang, Lifeng; Gross, Michael; Lachgar, Abdou

    2015-06-15

    Composites comprised of two semiconducting materials with suitable band gaps and band positions have been reported to be effective at enhancing photocatalytic activity in the visible light region of the electromagnetic spectrum. Here, we report the synthesis, complete structural and physical characterizations, and photocatalytic performance of a series of semiconducting oxide composites. UV light active tantalum oxide (Ta2O5) and visible light active tantalum oxynitride (TaON) and tantalum nitride (Ta<sub>3sub>N>5sub>) were synthesized, and their composites with Bi<sub>2sub>O>3sub> were prepared in situ using benzyl alcohol as solvent. The composite prepared using equimolar amounts of Bi<sub>2sub>O>3sub> and Ta<sub>2sub>O>5sub> leads to the formation of the ternary oxide, bismuth tantalate (BiTaO<sub>4sub>) upon calcination at 1000 °C. The composites and single phase bismuth tantalate formed were characterized by powder X-ray diffraction (PXRD), thermogravimetric analysis (TGA), Brunauer–Emmett–Teller (BET) surface area measurement, scanning electron microscopy (SEM), transmission electron microscopy (TEM), UV–Vis diffuse reflectance spectroscopy, and photoluminescence. The photocatalytic activities of the catalysts were evaluated for generation of hydrogen using aqueous methanol solution under visible light irradiation (λ ≥ 420 nm). The results show that as-prepared composite photocatalysts extend the light absorption range and restrict photogenerated charge-carrier recombination, resulting in enhanced photocatalytic activity compared to individual phases. The mechanism for the enhanced photocatalytic activity for the heterostructured composites is elucidated based on observed activity, band positions calculations, and photoluminescence data.

  2. Partitioning of Volatile Organics in Diesel Particulate and Exhaust |

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

    Department of Energy Partitioning of Volatile Organics in Diesel Particulate and Exhaust Partitioning of Volatile Organics in Diesel Particulate and Exhaust Evaluation of how sampling details affect the measurement of volatile organic compounds in diesel exhaust deer08_strzelec.pdf (209.9 KB) More Documents & Publications Trends in Particulate Nanostructure Method Development: Identification of the Soluble Organic Fraction of Particulate Matter on DPF Soot Diesel Particulate Oxidation

  3. 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.

  4. Analysis of Price Volatility in Natural Gas Markets

    Reports and Publications (EIA)

    2007-01-01

    This article presents an analysis of price volatility in the spot natural gas market, with particular emphasis on the Henry Hub in Louisiana.

  5. 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...

  6. Rhenium volatilization in waste glasses (Journal Article) | SciTech...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Rhenium volatilization in waste glasses Citation Details In-Document ... OSTI Identifier: 1252517 Type: Publisher's Accepted Manuscript Journal Name: Journal of ...

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

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

    Evaluation of how sampling details affect the measurement of volatile organic compounds in ... Identification of the Soluble Organic Fraction of Particulate Matter on DPF ...

  8. Reducing volatilization of heavy metals in phosphate-pretreated...

    Office of Scientific and Technical Information (OSTI)

    The results showed that the volatilization behavior in phosphate-pretreated MSWI fly ash ... Resource Type: Journal Article Resource Relation: Journal Name: Waste Management; Journal ...

  9. 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

    2015-02-09

    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 μg kg−1<sub>air>, compared with measurements of 1.0–1.5 μg 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

  10. 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}.

  11. 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.

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

    DOE Patents [OSTI]

    Penetrante, Bernardino M.; Vogtlin, George E.; Merritt, Bernard T.; Brusasco, Raymond M.

    2000-01-01

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

  13. Fragile structural transition in Mo<sub>3sub>Sb>7sub>

    SciTech Connect (OSTI)

    Yan, Jiaqiang -Q.; McGuire, Michael A; May, Andrew F; Parker, David S.; Mandrus, D. G.; Sales, Brian C.

    2015-08-10

    Mo<sub>3sub>Sb>7sub> single crystals lightly doped with Cr, Ru, or Te are studied in order to explore the interplay between superconductivity, magnetism, and the cubic-tetragonal structural transition. The structural transition at 53 K is extremely sensitive to Ru or Te substitution which introduces additional electrons, but robust against Cr substitution. We observed no sign of a structural transition in superconducting Mo<sub>2.91sub>Ru>0.09sub>Sb>7sub> and Mo<sub>3sub>Sb>6.975sub>Te>0.025sub>. In contrast, 3 at.% Cr doping only slightly suppresses the structural transition to 48 K while leaving no trace of superconductivity above 1.8 K. Analysis of magnetic properties suggests that the interdimer interaction in Mo<sub>3sub>Sb>7sub> is near a critical value and essential for the structural transition. Futhermore, all dopants suppress the superconductivity of Mo<sub>3sub>Sb>7sub>. The tetragonal structure is not necessary for superconductivity.

  14. 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.

  15. Fe<sub>2sub>O>3sub>–TiO>2sub> core–shell nanorod arrays for visible light photocatalytic applications

    SciTech Connect (OSTI)

    Yao, Kun; Basnet, Pradip; Sessions, Henry; Larsen, George K.; Murph, Simona E. Hunyadi; Zhao, Yiping

    2015-11-11

    By using the glancing angle deposition technique and post-deposition annealing, Fe<sub>2sub>O>3sub>–TiO>2sub> core-shell nanorod arrays with specific crystalline states can be designed and fabricated. The Fe<sub>2sub>O>3sub>–TiO>2sub> core-shell samples annealed at temperatures greater than 450°C formed α-Fe<sub>2sub>O>3sub> and anatase TiO<sub>2sub>, and showed higher catalytic efficiency for the degradation of methylene blue (MB) under visible light illumination when compared with pure anatase TiO<sub>2sub> or α-Fe<sub>2sub>O>3sub> nanorod arrays. Solar conversion of carbon dioxide and water vapor in the presence of Fe<sub>2sub>O>3sub>–TiO>2sub> core-shell nanorod arrays was also investigated. Carbon monoxide, hydrogen, methane, and methanol along with other hydrocarbons were produced after only several hours’ exposure under ambient sunlight. It was determined that the core-shell structure showed greater efficiency for solar CO<sub>2sub> conversion than the pure TiO<sub>2sub> nanorod arrays.

  16. VOLATILE CHLORIDE PROCESS FOR THE RECOVERY OF METAL VALUES

    DOE Patents [OSTI]

    Hanley, W.R.

    1959-01-01

    A process is presented for recovering uranium, iron, and aluminum from centain shale type ores which contain uranium in minute quantities. The ore is heated wiih a chlorinating agent. such as chlorine, to form a volatilized stream of metal chlorides. The chloride stream is then passed through granular alumina which preferentially absorbs the volatile uranium chloride and from which the uranium may later be recovered. The remaining volatilized chlorides, chiefly those of iron and aluminum, are further treated to recover chlorine gas for recycle, and to recover ferric oxide and aluminum oxide as valuable by-products.

  17. 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.

  18. The competing oxide and sub-oxide formation in metal-oxide molecular beam epitaxy

    SciTech Connect (OSTI)

    Vogt, Patrick; Bierwagen, Oliver

    2015-02-23

    The hetero-epitaxial growth of the n-type semiconducting oxides β-Ga{sub 2}O{sub 3}, In{sub 2}O{sub 3}, and SnO{sub 2} on c- and r-plane sapphire was performed by plasma-assisted molecular beam epitaxy. The growth-rate and desorbing flux from the substrate were measured in-situ under various oxygen to metal ratios by laser reflectometry and quadrupole mass spectrometry, respectively. These measurements clarified the role of volatile sub-oxide formation (Ga{sub 2}O, In{sub 2}O, and SnO) during growth, the sub-oxide stoichiometry, and the efficiency of oxide formation for the three oxides. As a result, the formation of the sub-oxides decreased the growth-rate under metal-rich growth conditions and resulted in etching of the oxide film by supplying only metal flux. The flux ratio for the exclusive formation of the sub-oxide (e.g., the p-type semiconductor SnO) was determined, and the efficiency of oxide formation was found to be the highest for SnO{sub 2}, somewhat lower for In{sub 2}O{sub 3}, and the lowest for Ga{sub 2}O{sub 3}. Our findings can be generalized to further oxides that possess related sub-oxides.

  19. From thermoelectric bulk to nanomaterials: Current progress for Bi <sub>2sub> Te <sub>3sub> and CoSb <sub>3sub>: From thermoelectric bulk to nanomaterials

    SciTech Connect (OSTI)

    Peranio, N.; Eibl, O.; Bäßler, S.; Nielsch, K.; Klobes, B.; Hermann, R. P.; Daniel, M.; Albrecht, M.; Görlitz, H.; Pacheco, V.; Bedoya-Martínez, N.; Hashibon, A.; Elsässer, C.

    2015-10-29

    We synthesized Bi<sub>2sub>Te>3sub> and CoSb<sub>3sub> based nanomaterials and their thermoelectric, structural, and vibrational properties analyzed to assess and reduce ZT-limiting mechanisms. The same preparation and/or characterization methods were applied in the different materials systems. Single-crystalline, ternary p-type Bi<sub>15sub>Sb>29sub>Te>56sub>, and n-type Bi<sub>38sub>Te>55sub>Se>7sub> nanowires with power factors comparable to nanostructured bulkmaterialswere prepared by potential-pulsed electrochemical deposition in a nanostructured Al<sub>2sub>O>3sub> matrix. p-type Sb<sub>2sub>Te>3sub>, n-type Bi<sub>2sub>Te>3sub>, and n-type CoSb<sub>3sub> thin films were grown at room temperature using molecular beam epitaxy and were subsequently annealed at elevated temperatures. It yielded polycrystalline, single phase thin films with optimized charge carrier densities. In CoSb<sub>3sub> thin films the speed of sound could be reduced by filling the cage structure with Yb and alloying with Fe yielded p-type material. Bi<sub>2sub>(Te>0.91sub>Se>0.09sub>)>3sub>/SiC and (Bi<sub>0.26sub>Sb>0.74sub>)>2sub>Te>3sub>/SiC nanocomposites with low thermal conductivities and ZT values larger than 1 were prepared by spark plasma sintering. Nanostructure, texture, chemical composition, as well as electronic and phononic excitations were investigated by X-ray diffraction, nuclear resonance scattering, inelastic neutron scattering, M ossbauer spectroscopy, and transmission electron microscopy. Furthermore, for Bi<sub>2sub>Te>3sub> materials, ab-initio calculations together with equilibrium and non-equilibrium molecular dynamics simulations for point defects yielded their formation energies and their effect on lattice thermal conductivity, respectively. Current advances in thermoelectric Bi<sub>2sub>Te>3sub> and CoSb<sub>3sub> based nanomaterials are

  20. Magnetic and structural properties of ferromagnetic Fe<sub>5sub>PB>2sub> and Fe<sub>5sub>SiB>2sub> and effects of Co and Mn substitutions

    SciTech Connect (OSTI)

    McGuire, Michael A.; Parker, David S.

    2015-10-22

    Crystallographic and magnetic properties of Fe<sub>5sub>PB>2sub>, Fe<sub>4sub>CoPB>2sub>, Fe<sub>4sub>MnPB>2sub>, Fe<sub>5sub>SiB>2sub>, Fe<sub>4sub>CoSiB>2sub>, and Fe<sub>4sub>MnSiB>2sub> are reported. All adopt the tetragonal Cr<sub>5sub>B>3sub> structure-type and are ferromagnetic at room temperature with easy axis of magnetization along the c-axis. The spin reorientation in Fe<sub>5sub>SiB>2sub> is observed as an anomaly in the magnetization near 170 K, and is suppressed by substitution of Co or Mn for Fe. The silicides are found to generally have larger magnetic moments than the phosphides, but the data suggests smaller magnetic anisotropy in the silicides. Cobalt substitution reduces the Curie temperatures by more than 100 K and ordered magnetic moments by 16-20%, while manganese substitution has a much smaller effect. This suggests Mn moments align ferromagnetically with the Fe and that Co does not have an ordered moment in these structures. Anisotropic thermal expansion is observed in Fe<sub>5sub>PB>2sub> and Fe<sub>5sub>SiB>2sub>, with negative thermal expansion seen along the c-axis of Fe<sub>5sub>SiB>2sub>. First principles calculations of the magnetic properties of Fe<sub>5sub>SiB>2sub> and Fe<sub>4sub>MnSiB>2sub> are reported. The results, including the magnetic moment and anisotropy, and are in good agreement with experiment.

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

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

    Volatility of Vanadia from Vanadia-Based SCR Catalysts under Accelerated Aging Conditions TiO2-supported vanadia (and tungsta) can be stabillized by optimization of the catalyst ...

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

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

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

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

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

    Fractioins of Gasoline and Diesel Emissions | Department of Energy Toxicity of Combined Particle and Semi-Volatile Organic Fractioins of Gasoline and Diesel Emissions Comparative Toxicity of Combined Particle and Semi-Volatile Organic Fractioins of Gasoline and Diesel Emissions 2002 DEER Conference Presentation: Lovelace Respiratory Research Institute 2002_deer_mauderly.pdf (63 KB) More Documents & Publications Relationship Between Composition and Toxicity of Engine Emission Samples

  4. VOLATILE FLUORIDE PROCESS FOR SEPARATING PLUTONIUM FROM OTHER MATERIALS

    DOE Patents [OSTI]

    Spedding, F.H.; Newton, A.S.

    1959-04-14

    The separation of plutonium from uranium and/or tission products by formation of the higher fluorides of uranium and/or plutonium is discussed. Neutronirradiated uranium metal is first convcrted to the hydride. This hydrided product is then treatced with fluorine at about 315 deg C to form and volatilize UF/sup 6/ leaving plutonium behind. The plutonium may then be separated by reacting the residue with fluorine at about 500 deg C and collecting the volatile plutonium fluoride thus formed.

  5. Investigation of La<sub>xSr>1-xsub>CoyM>1-ysub>O>3-δsub> (M = Mn Fe) perovskite materials as thermochemical energy storage media

    SciTech Connect (OSTI)

    Babiniec, Sean Michael; Coker, Eric Nicholas; Miller, James E.; Ambrosini, Andrea

    2015-06-23

    Materials in the La<sub>xSr>1–xsub>CoyMn>1–ysub>O>3–δsub> (LSCM) and La<sub>xSr>1–xsub>CoyFe>1–ysub>O>3–δsub> (LSCF) families are candidates for high-temperature thermochemical energy storage due to their facility for cyclic endothermic reduction and exothermic oxidation. A set of 16 LSCM and 21 LSCF compositions were synthesized by a modified Pechini method and characterized by powder X-ray diffraction and thermogravimetric analysis. All materials were found to be various symmetries of the perovskite phase. LSCM was indexed as tetragonal, cubic, rhombohedral, or orthorhombic as a function of increased lanthanum content. For LSCF, compositions containing low lanthanum content were indexed as cubic while materials with high lanthanum content were indexed as rhombohedral. An initial screening of redox activity was completed by thermogravimetric analysis for each composition. The top three compositions with the greatest recoverable redox capacity for each family were further characterized in equilibrium thermogravimetric experiments over a range of temperatures and oxygen partial pressures. As a result, these equilibrium experiments allowed the extraction of thermodynamic parameters for LSCM and LSCF compositions operated in thermochemical energy storage conditions.

  6. Investigation of La<sub>xSr>1-xsub>CoyM>1-ysub>O>3-dsub> (M = Mn Fe) perovskite materials as thermochemical energy storage media.

    SciTech Connect (OSTI)

    Babiniec, Sean Michael; Ambrosini, Andrea; Coker, Eric Nicholas; Miller, James E.

    2015-06-23

    Materials in the La<sub>xSr>1–xsub>CoyMn>1–ysub>O>3–δsub> (LSCM) and La<sub>xSr>1–xsub>CoyFe>1–ysub>O>3–δsub> (LSCF) families are candidates for high-temperature thermochemical energy storage due to their facility for cyclic endothermic reduction and exothermic oxidation. A set of 16 LSCM and 21 LSCF compositions were synthesized by a modified Pechini method and characterized by powder X-ray diffraction and thermogravimetric analysis. All materials were found to be various symmetries of the perovskite phase. LSCM was indexed as tetragonal, cubic, rhombohedral, or orthorhombic as a function of increased lanthanum content. For LSCF, compositions containing low lanthanum content were indexed as cubic while materials with high lanthanum content were indexed as rhombohedral. An initial screening of redox activity was completed by thermogravimetric analysis for each composition. The top three compositions with the greatest recoverable redox capacity for each family were further characterized in equilibrium thermogravimetric experiments over a range of temperatures and oxygen partial pressures. As a result, these equilibrium experiments allowed the extraction of thermodynamic parameters for LSCM and LSCF compositions operated in thermochemical energy storage conditions.

  7. Investigation of La<sub>xSr>1-xsub>CoyM>1-ysub>O>3-dsub> (M = Mn Fe) perovskite materials as thermochemical energy storage media.

    SciTech Connect (OSTI)

    Babiniec, Sean Michael; Ambrosini, Andrea; Coker, Eric Nicholas; Miller, James E.

    2015-06-23

    Materials in the La<sub>xSr>1xsub>CoyMn>1ysub>O>3?sub> (LSCM) and La<sub>xSr>1xsub>CoyFe>1ysub>O>3?sub> (LSCF) families are candidates for high-temperature thermochemical energy storage due to their facility for cyclic endothermic reduction and exothermic oxidation. A set of 16 LSCM and 21 LSCF compositions were synthesized by a modified Pechini method and characterized by powder X-ray diffraction and thermogravimetric analysis. All materials were found to be various symmetries of the perovskite phase. LSCM was indexed as tetragonal, cubic, rhombohedral, or orthorhombic as a function of increased lanthanum content. For LSCF, compositions containing low lanthanum content were indexed as cubic while materials with high lanthanum content were indexed as rhombohedral. An initial screening of redox activity was completed by thermogravimetric analysis for each composition. The top three compositions with the greatest recoverable redox capacity for each family were further characterized in equilibrium thermogravimetric experiments over a range of temperatures and oxygen partial pressures. As a result, these equilibrium experiments allowed the extraction of thermodynamic parameters for LSCM and LSCF compositions operated in thermochemical energy storage conditions.

  8. Electronic structure, irreversibility line and magnetoresistance of Cu<sub>0.3sub>Bi>2sub>Se>3sub> superconductor

    SciTech Connect (OSTI)

    Hemian, Yi; Gu, Genda; Chen, Chao -Yu; Sun, Xuan; Xie, Zhuo -Jin; Feng, Ya; Liang, Ai -Ji; Peng, Ying -Ying; He, Shao -Long; Zhao, Lin; Liu, Guo -Dong; Dong, Xiao -Li; Zhang, Jun; Chen, Chuang -Tian; Xu, Zu -Yan; Zhou, X. -J.

    2015-06-01

    Cu<sub>xBi>2sub>Se>3sub> is a superconductor that is a potential candidate for topological superconductors. We report our laser-based angle-resolved photoemission measurement on the electronic structure of the Cu<sub>xBi>2sub>Se>3sub> superconductor, and a detailed magneto-resistance measurement in both normal and superconducting states. We find that the topological surface state of the pristine Bi<sub>2sub>Se>3sub> topological insulator remains robust after the Cu-intercalation, while the Dirac cone location moves downward due to electron doping. Detailed measurements on the magnetic field-dependence of the resistance in the superconducting state establishes an irreversibility line and gives a value of the upper critical field at zero temperature of ~4000 Oe for the Cu<sub>0.3sub>Bi>2sub>Se>3sub> superconductor with a middle point T<sub>c> of 1.9K. The relation between the upper critical field Hc2 and temperature T is different from the usual scaling relation found in cuprates and in other kinds of superconductors. Small positive magneto-resistance is observed in Cu<sub>0.3sub>Bi>2sub>Se>3sub> superconductors up to room temperature. As a result, these observations provide useful information for further study of this possible candidate for topological superconductors.

  9. Discovery of a metastable Al<sub>20sub>Sm>4sub> phase

    SciTech Connect (OSTI)

    Ye, Z.; Zhang, F.; Sun, Y.; Mendelev, M. I.; Ott, R. T.; Park, E.; Besser, M. F.; Kramer, M. J.; Ding, Z.; Wang, C. -Z.; Ho, K. -M.

    2015-03-09

    In this study, we present an efficient genetic algorithm, integrated with experimental diffraction data, to solve a nanoscale metastable Al<sub>20sub>Sm>4sub> phase that evolves during crystallization of an amorphous magnetron sputtered Al<sub>90sub>Sm>10sub> alloy. The excellent match between calculated and experimental X-ray diffraction patterns confirms an accurate description of this metastable phase. Molecular dynamic simulations of crystal growth from the liquid phase predict the formation of disordered defects in the devitrified crystal.

  10. 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%.

  11. Superconductivity in strong spin orbital coupling compound Sb<sub>2sub>Se>3sub>

    SciTech Connect (OSTI)

    Kong, P. P.; Sun, F.; Xing, L. Y.; Zhu, J.; Zhang, S. J.; Li, W. M.; Liu, Q. Q.; Wang, X. C.; Feng, S. M.; Yu, X. H.; Zhu, J. L.; Yu, R. C.; Yang, W. G.; Shen, G. Y.; Zhao, Y. S.; Ahuja, R.; Mao, H. K.; Jin, C. Q.

    2014-10-20

    Recently, A<sub>2sub>B>3sub> type strong spin orbital coupling compounds such as Bi<sub>2sub>Te>3sub>, Bi<sub>2sub>Se>3sub> and Sb<sub>2sub>Te>3sub> were theoretically predicated to be topological insulators and demonstrated through experimental efforts. The counterpart compound Sb<sub>2sub>Se>3sub> on the other hand was found to be topological trivial, but theoretical studies indicated that the pressure might induce Sb<sub>2sub>Se>3sub> into a topological nontrivial state. We report on the discovery of superconductivity in Sb<sub>2sub>Se>3sub> single crystal induced via pressure. Our experiments indicated that Sb<sub>2sub>Se>3sub> became superconductive at high pressures above 10 GPa proceeded by a pressure induced insulator to metal like transition at ~3 GPa which should be related to the topological quantum transition. The superconducting transition temperature (T<sub>C>) increased to around 8.0 K with pressure up to 40 GPa while it keeps ambient structure. As a result, high pressure Raman revealed that new modes appeared around 10 GPa and 20 GPa, respectively, which correspond to occurrence of superconductivity and to the change of T<sub>C> slop as the function of high pressure in conjunction with the evolutions of structural parameters at high pressures.

  12. Magnetic structures of R<sub>5sub>Ni>2sub>In>4sub> and R<sub>11sub>Ni>4sub>In>9sub> ( R = Tb and Ho): Strong hierarchy in the temperature dependence of the magnetic ordering in the multiple rare-earth sublattices

    SciTech Connect (OSTI)

    Ritter, C.; Provino, A.; Manfrinetti, P.; Pecharsky, V. K.; Gschneidner, Jr., K. A.; Dhar, S. K.

    2015-11-09

    In this study, the magnetic properties and magnetic structures of the R<sub>5sub>Ni>2sub>In>4sub> and the microfibrous R <sub>11sub>Ni>4sub>In>9sub> compounds with R = Tb and Ho have been examined using magnetization, heat capacity, and neutron diffraction data. Rare earth atoms occupy three and five symmetrically inequivalent rare earth sites in R<sub>5sub>Ni>2sub>In>4sub> and R <sub>11sub>Ni>4sub>In>9sub> compounds, respectively. As a result of the intra- and inter-magnetic sublattice interactions, the magnetic exchange interactions are different for various rare earth sites; this leads to a cascade of magnetic transitions with a strong hierarchy in the temperature dependence of the magnetic orderings.

  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. Structural and magnetic phase transitions near optimal superconductivity in BaFe<sub>2sub>(As>1-xsub>Px)>2sub>

    SciTech Connect (OSTI)

    Hu, Ding; Lu, Xingye; Zhang, Wenliang; Luo, Huiqian; Li, Shiliang; Wang, Peipei; Chen, Genfu; Han, Fei; Banjara, Shree R.; Sapkota, A.; Kreyssig, A.; Goldman, A. I.; Yamani, Z.; Niedermayer, Christof; Skoulatos, Markos; Georgii, Robert; Keller, T.; Wang, Pengshuai; Yu, Weiqiang; Dai, Pengcheng

    2015-04-17

    In this study, we use nuclear magnetic resonance (NMR), high-resolution x-ray and neutron scattering to study structural and magnetic phase transitions in phosphorus-doped BaFe<sub>2sub>(As>1-xsub>Px)>2sub>. Thus, previous transport, NMR, specific heat, and magnetic penetration depth measurements have provided compelling evidence for the presence of a quantum critical point (QCP) near optimal superconductivity at x = 0.3. However, we show that the tetragonal-to-orthorhombic structural (T<sub>s>) and paramagnetic to antiferromagnetic (AF, T<sub>N>) transitions in BaFe<sub>2sub>(As>1-xsub>Px)>2sub> are always coupled and approach to T<sub>N> ≈ T<sub>s> ≥ T<sub>c> (≈ 29 K) for x = 0.29 before vanishing abruptly for x ≥ 0.3. These results suggest that AF order in BaFe<sub>2sub>(As>1-xsub>Px)>2sub> disappears in a weakly first order fashion near optimal superconductivity, much like the electron-doped iron pnictides with an avoided QCP.

  15. Characterization of second-phase plates in a Gd<sub>5sub>Ge>3sub> intermetallic compound

    SciTech Connect (OSTI)

    Cao, Qing; Chumbley, Leonard S.

    2013-05-16

    Rare-earth compounds based on the stoichiometry R5(Si<sub>xGe>1-xsub>)>4sub> (R = rare-earth elements) exhibit many unusual features, including possessing R<sub>5sub>(SixGe>1-xsub>)>3sub> thin plates which always precipitate from the matrix despite efforts to suppress their formation. In an effort to better understand the unique relationship between these two intermetallic alloy systems, the bulk microstructure of the compound Gd<sub>5sub>Ge>3sub> was examined using scanning (SEM) and transmission electron microscopy (TEM) and optical microscopy. Surprisingly, SEM examination revealed a series of thin plates present in the Gd<sub>5sub>Ge>3sub> matrix similar to what is seen in Gd<sub>5sub>Ge>4sub>. TEM observation revealed that a role reversal had occurred, with the thin plates possessing the orthorhombic structure and composition of Gd<sub>5sub>Ge>4sub>. The orientation relationship between Gd<sub>5sub>Ge>4sub> thin plates and the Gd<sub>5sub>Ge>3sub> matrix was determined to be Graphic the same relationship reported for Gd<sub>5sub>Ge>3sub> plates precipitating from a Gd<sub>5sub>Ge>4sub> matrix. However, by exchanging the respective roles of the phases as regards matrix vs. precipitate, the total number of precipitation variants seen can be increased from two to six. The persistence with which these two intermetallic systems co-exist is truly unique. However, understanding exactly the kinetic and thermodynamic conditions that lead to their unique relationship is hampered by the high formation temperatures at which the observed reaction occurs.

  16. Evolution of competing magnetic order in the J<sub>eff>=1/2 insulating state of Sr<sub>2sub>Ir>1-xsub>RuxO>4sub>

    SciTech Connect (OSTI)

    Calder, Stuart A.; Kim, Jong-Woo; Cao, Guixin; Cantoni, Claudia; May, Andrew F; Cao, Huibo B.; Aczel, Adam A.; Matsuda, Masaaki; Choi, Yongseong; Haskel, Daniel; Sales, B. C.; Mandrus, David; Lumsden, Mark D.; Christianson, Andrew D.

    2015-10-27

    We investigate the magnetic properties of the series Sr<sub>2sub>Ir>1-xsub>RuxO>4sub> with neutron, resonant x-ray and magnetization measurements. The results indicate an evolution and coexistence of magnetic structures via a spin flop transition from ab-plane to c-axis collinear order as the 5d Ir4+ ions are replaced with an increasing concentration of 4d Ru4+ ions. The magnetic structures within the ordered regime of the phase diagram (x<0.3) are reported. Despite the changes in magnetic structure no alteration of the J<sub>eff>=1/2 ground state is observed. This behavior of Sr<sub>2sub>Ir>1-xsub>RuxO>4sub> is consistent with electronic phase separation and diverges from a standard scenario of hole doping. The role of lattice alterations with doping on the magnetic and insulating behavior is considered. Our results presented here provide insight into the magnetic insulating states in strong spin-orbit coupled materials and the role perturbations play in altering the behavior.

  17. trans-K<sub>3sub>[TcO>2sub>(CN)>4sub>

    SciTech Connect (OSTI)

    Chatterjee, Sayandev; Del Negro, Andrew S; Edwards, Matthew K; Twamley, Brendan; Krause, Jeanette A; Bryan, Samuel A

    2010-07-14

    The dioxotetracyanotechnetate anion, [TcO<sub>2sub>(CN)>4sub>]3-, of the title complex has octahedral symmetry. The technetium is located on a center of inversion and is bound by two oxygen atoms and four cyano ligands. The Tc=O bond distance of 1.7721 (12) Å is consistent with double bond character. The potassium cations [located on special (1/2,0,1) and general positions] reside in octahedral or tetrahedral environments; interionic K···O and K···N interactions occur in the 2.7877 (19)-2.8598 (15) Å range.

  18. FIELD SCREENING FOR HALOGENATED VOLATILE ORGANIC COMPOUNDS

    SciTech Connect (OSTI)

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

    2003-07-01

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

  19. Comparison of non-thermal plasma techniques for abatement of volatile organic compounds and nitrogen oxides

    SciTech Connect (OSTI)

    Penetrante, B.M.; Hsiao, M.C.; Bardsley, J.N.

    1996-01-11

    Non-thermal plasma processing is an emerging technology for the abatement of dilute concentrations of volatile organic compounds (VOCs), nitrogen oxides (NO{sub x}) and other hazardous air pollutants (HAPs) in atmospheric-pressure gas streams. Either electrical discharge or electron beam methods can produce these plasmas. Recent laboratory-scale experiments show that the electron beam method is remarkably more energy efficient than competing non-thermal plasma techniques based on pulsed corona and other types of electrical discharge plasma. Preliminary cost analysis based on these data also show that the electron beam method may be cost-competitive to thermal and catalytic methods that employ heat recovery or hybrid techniques.

  20. 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.

  1. Gold-rich R<sub>3sub>Au>7sub>Sn>3sub>: Establishing the interdependence between electronic features and physical properties

    SciTech Connect (OSTI)

    Provino, Alessia; Steinberg, Simon; Smetana, Volodymyr; Kulkarni, Ruta; Dhar, Sudesh K.; Manfrinetti, Pietro; Mudring, Anja -Verena

    2015-05-18

    Two new polar intermetallic compounds Y<sub>3sub>Au>7sub>Sn>3sub> (I) and Gd<sub>3sub>Au>7sub>Sn>3sub> (II) have been synthesized and their structures have been determined by single crystal X-ray diffraction (P6<sub>3sub>/m; Z = 2, a = 8.148(1)/8.185(3), and c = 9.394(2)/9.415(3) for I/II, respectively). They can formally be assigned to the Cu<sub>10sub>Sn>3sub> type and consist of parallel slabs of Sn centered, edge-sharing trigonal Au<sub>6sub> antiprisms connected through R<sub>3sub> (R = Y, Gd) triangles. Additional Au atoms reside in the centres of trigonal Au<sub>6sub> prisms forming Au@Au<sub>6sub> clusters with Au–Au distances of 2.906–2.960 Å, while the R–R contacts in the R<sub>3sub> groups are considerably larger than the sums of their metallic radii. These exclusive structural arrangements provide alluring systems to study the synergism between strongly correlated systems, particularly, those in the structure of (II), and extensive polar intermetallic contacts, which has been inspected by measurements of the magnetic properties, heat capacities and electrical conductivities of both compounds. Gd<sub>3sub>Au>7sub>Sn>3sub> shows an antiferromagnetic ordering at 13 K, while Y<sub>3sub>Au>7sub>Sn>3sub> is a Pauli paramagnet and a downward curvature in its electrical resistivity at about 1.9 K points to a superconducting transition. DFT-based band structure calculations on R<sub>3sub>Au>7sub>Sn>3sub> (R = Y, Gd) account for the results of the conductivity measurements and different spin ordering models of (II) provide conclusive hints about its magnetic structure. As a result, chemical bonding analyses of both compounds indicate that the vast majority of bonding originates from the heteroatomic Au–Gd and Au–Sn interactions, while homoatomic Au–Au bonding is evident within the Au@Au<sub>6sub> clusters.

  2. Gold-rich R<sub>3sub>Au>7sub>Sn>3sub>: Establishing the interdependence between electronic features and physical properties

    SciTech Connect (OSTI)

    Provino, Alessia; Steinberg, Simon; Smetana, Volodymyr; Kulkarni, Ruta; Dhar, Sudesh K.; Manfrinetti, Pietro; Mudring, Anja -Verena

    2015-05-18

    Two new polar intermetallic compounds Y<sub>3sub>Au>7sub>Sn>3sub> (I) and Gd<sub>3sub>Au>7sub>Sn>3sub> (II) have been synthesized and their structures have been determined by single crystal X-ray diffraction (P6<sub>3/msub>; Z = 2, a = 8.148(1)/8.185(3), and c = 9.394(2)/9.415(3) for I/II, respectively). They can formally be assigned to the Cu<sub>10sub>Sn>3sub> type and consist of parallel slabs of Sn centered, edge-sharing trigonal Au<sub>6sub> antiprisms connected through R<sub>3sub> (R = Y, Gd) triangles. Additional Au atoms reside in the centres of trigonal Au<sub>6sub> prisms forming Au@Au<sub>6sub> clusters with Au–Au distances of 2.906–2.960 Å, while the R–R contacts in the R<sub>3sub> groups are considerably larger than the sums of their metallic radii. These exclusive structural arrangements provide alluring systems to study the synergism between strongly correlated systems, particularly, those in the structure of (II), and extensive polar intermetallic contacts, which has been inspected by measurements of the magnetic properties, heat capacities and electrical conductivities of both compounds. Gd<sub>3sub>Au>7sub>Sn>3sub> shows an antiferromagnetic ordering at 13 K, while Y<sub>3sub>Au>7sub>Sn>3sub> is a Pauli paramagnet and a downward curvature in its electrical resistivity at about 1.9 K points to a superconducting transition. DFT-based band structure calculations on R<sub>3sub>Au>7sub>Sn>3sub> (R = Y, Gd) account for the results of the conductivity measurements and different spin ordering models of (II) provide conclusive hints about its magnetic structure. As a result, chemical bonding analyses of both compounds indicate that the vast majority of bonding originates from the heteroatomic Au–Gd and Au–Sn interactions, while homoatomic Au–Au bonding is evident within the Au@Au<sub>6sub> clusters.

  3. Spin glass in semiconducting KFe<sub>1.05sub>Ag>0.88sub>Te>2sub> single crystals

    SciTech Connect (OSTI)

    Ryu, H.; Lei, H.; Klobes, B.; Warren, J. B.; Hermann, R. P.; Petrovic, C.

    2015-05-26

    We report discovery of KFe<sub>1.05sub>Ag>0.88sub>Te>2sub> single crystals with semiconducting spin glass ground state. Composition and structure analysis suggest nearly stoichiometric I4/mmm space group but allow for the existence of vacancies, absent in long range semiconducting antiferromagnet KFe<sub>1.05sub>Ag>0.88sub>Te>2sub>. The subtle change in stoichometry in Fe/Ag sublattice changes magnetic ground state but not conductivity, giving further insight into the semiconducting gap mechanism.

  4. Itinerant magnetism in metallic CuFe<sub>2sub>Ge>2sub>

    SciTech Connect (OSTI)

    Shanavas, K. V.; Singh, David J.; He, Ruihua

    2015-03-25

    Theoretical calculations are performed to understand the electronic structure and magnetic properties of CuFe<sub>2sub>Ge>2sub>. The band structure reveals large electron density N(E<sub>F>) at the Fermi level suggesting a strong itinerant character of magnetism. The Fermi surface is dominated by two dimensional sheet like structures, with potentially strong nesting between them. The magnetic ground state appears to be ferromagnetic along a and antiferromagnetic in other directions. The results show that CuFe<sub>2sub>Ge>2sub> is an antiferromagnetic metal, with similarities to the Fe-based superconductors; such as magnetism with substantial itinerant character and coupling between magnetic order and electrons at the Fermi energy.

  5. Effect of neutron irradiation on defect evolution in Ti<sub>3sub>SiC>2sub> and Ti<sub>2sub>AlC

    SciTech Connect (OSTI)

    Tallman, Darin J.; He, Lingfeng; Garcia-Diaz, Brenda L.; Hoffman, Elizabeth N.; Kohse, Gordon; Sindelar, Robert L.; Barsoum, Michel W.

    2015-10-23

    Here, we report on the characterization of defects formed in polycrystalline Ti<sub>3sub>SiC>2sub> and Ti<sub>2sub>AlC samples exposed to neutron irradiation – up to 0.1 displacements per atom (dpa) at 350 ± 40 °C or 695 ± 25 °C, and up to 0.4 dpa at 350 ± 40 °C. Black spots are observed in both Ti<sub>3sub>SiC>2sub> and Ti<sub>2sub>AlC after irradiation to both 0.1 and 0.4 dpa at 350 °C. After irradiation to 0.1 dpa at 695 °C, small basal dislocation loops, with a Burgers vector of b = 1/2 [0001] are observed in both materials. At 9 ± 3 and 10 ± 5 nm, the loop diameters in the Ti<sub>3sub>SiC>2sub> and Ti<sub>2sub>AlC samples, respectively, were comparable. At 1 × 1023 loops/m3, the dislocation loop density in Ti<sub>2sub>AlC was ≈1.5 orders of magnitude greater than in Ti<sub>3sub>SiC>2sub>, at 3 x 1021 loops/m3. After irradiation at 350 °C, extensive microcracking was observed in Ti<sub>2sub>AlC, but not in Ti<sub>3sub>SiC>2sub>. The room temperature electrical resistivities increased as a function of neutron dose for all samples tested, and appear to saturate in the case of Ti<sub>3sub>SiC>2sub>. The MAX phases are unequivocally more neutron radiation tolerant than the impurity phases TiC and Al<sub>2sub>O>3sub>. Based on these results, Ti<sub>3sub>SiC>2sub> appears to be a more promising MAX phase candidate for high temperature nuclear applications than Ti<sub>2sub>AlC.

  6. 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; Marra, James; Amoroso, Jake; Conradson, Steven D.; Tang, Ming

    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.

  7. Synthesis, crystal structure, and magnetism of A<sub>2sub>Co>12sub>As>7sub> (A=Ca, Y, Ce–Yb)

    SciTech Connect (OSTI)

    Tan, Xiaoyan; Ovidiu Garlea, V.; Chai, Ping; Geondzhian, Andrey Y.; Yaroslavtsev, Alexander A.; Xin, Yan; Menushenkov, Alexey P.; Chernikov, Roman V.; Shatruk, Michael

    2015-08-28

    In this study, ternary intermetallics, A<sub>2sub>Co>12sub>As>7sub> (A=Ca, Y, Ce–Yb), have been synthesized by annealing mixtures of elements in molten Bi at 1223 K. The materials obtained crystallize in the P6<sub>3sub>/m variant of the Zr<sub>2sub>Fe>12sub>P>7sub> structure type. The unit cell volume shows a monotonic decrease with the increasing atomic number of the rare-earth metal, with the exception of Ce-, Eu-, and Yb-containing compounds. An examination of these outliers with X-ray absorption near edge structures (XANES) spectroscopy revealed mixed valence of Ce, Eu, and Yb, with the average oxidation states of +3.20(1), +2.47(5), and +2.91(1), respectively, at room temperature. Magnetic behavior of A<sub>2sub>Co>12sub>As>7sub> is generally characterized by ferromagnetic ordering of Co 3d moments at 100–140 K, followed by low-temperature ordering of rare-earth 4f moments. The 3d-4f magnetic coupling changes from antiferromagnetic for A=Pr–Sm to ferromagnetic for A=Ce and Eu–Yb. Finally, polarized neutron scattering experiments were performed to support the postulated ferro- and ferrimagnetic ground states for Ce<sub>2sub>Co>12sub>As>7sub> and Nd<sub>2sub>Co>12sub>As>7sub>, respectively.

  8. The magnetic structure of EuCu<sub>2sub>Sb>2sub>

    SciTech Connect (OSTI)

    Ryan, D. H.; Cadogan, J. M.; Anand, V. K.; Johnston, D. C.; Flacau, R.

    2015-05-06

    Antiferromagnetic ordering of EuCu<sub>2sub>Sb>2sub> which forms in the tetragonal CaBe<sub>2sub>Ge>2sub>-type structure (space group P4/nmm #129) has been studied using neutron powder diffraction and 151Eu Mssbauer spectroscopy. The room temperature 151Eu isomer shift of 12.8(1) mm/s shows the Eu to be divalent, while the 151Eu hyperfine magnetic field (B<sub>hf>) reaches 28.7(2) T at 2.1 K, indicating a full Eu2+ magnetic moment. B<sub>hf>(T) follows a smooth $S=\\frac{7}{2}$ Brillouin function and yields an ordering temperature of 5.1(1) K. Refinement of the neutron diffraction data reveals a collinear A-type antiferromagnetic arrangement with the Eu moments perpendicular to the tetragonal c-axis. As a result, the refined Eu magnetic moment at 0.4 K is 7.08(15) ?<sub>B> which is the full free-ion moment expected for the Eu2+ ion with $S=\\frac{7}{2}$ and a spectroscopic splitting factor of g = 2.

  9. The magnetic structure of EuCu<sub>2sub>Sb>2sub>

    SciTech Connect (OSTI)

    Ryan, D. H.; Cadogan, J. M.; Anand, V. K.; Johnston, D. C.; Flacau, R.

    2015-05-06

    Antiferromagnetic ordering of EuCu<sub>2sub>Sb>2sub> which forms in the tetragonal CaBe<sub>2sub>Ge>2sub>-type structure (space group P4/nmm #129) has been studied using neutron powder diffraction and 151Eu Mössbauer spectroscopy. The room temperature 151Eu isomer shift of –12.8(1) mm/s shows the Eu to be divalent, while the 151Eu hyperfine magnetic field (B<sub>hf>) reaches 28.7(2) T at 2.1 K, indicating a full Eu2+ magnetic moment. B<sub>hf>(T) follows a smooth $S=\\frac{7}{2}$ Brillouin function and yields an ordering temperature of 5.1(1) K. Refinement of the neutron diffraction data reveals a collinear A-type antiferromagnetic arrangement with the Eu moments perpendicular to the tetragonal c-axis. As a result, the refined Eu magnetic moment at 0.4 K is 7.08(15) μ<sub>B> which is the full free-ion moment expected for the Eu2+ ion with $S=\\frac{7}{2}$ and a spectroscopic splitting factor of g = 2.

  10. Magnetoelectric coupling tuned by competing single iron anisotropies in Mn<sub>1-xsub>NixTiO>3sub>

    SciTech Connect (OSTI)

    Chi, Songxue; Ye, Feng; Zhou, Haidong D.; Choi, E. S.; Hwang, J.; Cao, Huibo; Fernandez-Baca, Jaime A.

    2014-01-01

    A flop of electric polarization from P<sub>c> to P<sub>a> is observed in MnTiO<sub>3sub> as a spin flop transtion is triggered by a c-axis magnetic field, H<sub>c>=7 T. The critical magnetic field for P<sub>a> is significantly reduced in Mn<sub>1-xsub>NixTiO>3sub> (x=0.33). Neutron diffraction measurements revealed similar magnetic arrangements for the two compositions where the ordered spins couple antiferromagnetically with their nearest intra- and inter-planar neighbors. In the x=0.33 system, the single ion anisotropies of Mn2+ and Ni2+ compete and give rise to an additional spin reorientation transition at TR. A magnetic field, H<sub>c>, aligns the spins along c for T<sub>RN>. The rotation of the collinear spins away from the c-axis for Tsub>R> alters the magnetic point symmetry and gives rise to new ME susceptibility tensor form. Such linear ME response provides satisfactory explanation for behavior of field-induced electric polarization in both compositions. As the Ni content increases to x=0.5 and 0.68, the ME effect disappears as a new magnetic phase emerges.

  11. Second order phase transition temperature of single crystals of Gd<sub>5sub>Si>1.3sub>Ge>2.7sub> and Gd<sub>5sub>Si>1.4sub>Ge>2.6sub>

    SciTech Connect (OSTI)

    Hadimani, R. L.; Melikhov, Y.; Schlagel, D. L.; Lograsso, T. A.; Dennis, K. W.; McCallum, R. W.; Jiles, D. C.

    2015-01-30

    Gd<sub>5sub>(SixGe>1–xsub>)>4sub> has mixed phases in the composition range 0.32 < x < 0.41, which have not been widely studied. In this paper, we have synthesized and indexed single crystal samples of Gd<sub>5sub>Si>1.3sub>Ge>2.7sub> and Gd<sub>5sub>Si>1.4sub>Ge>2.6sub>. In this study, we have investigated the first order and second order phase transition temperatures of these samples using magnetic moment vs. temperature and magnetic moment vs. magnetic field at different temperatures. We have used a modified Arrott plot technique that was developed and reported by us previously to determine the “hidden” second order phase transition temperature of the orthorhombic II phase.

  12. Cycling Endurance of SONOS Non-Volatile Memory Stacks Prepared with Nitrided SiO(2)/Si(100) Intefaces

    SciTech Connect (OSTI)

    Habermehl, S.; Nasby, R.D.; Rightley, M.J.

    1999-01-11

    The effects of nitrided SiO{sub 2}/Si(100) interfaces upon cycling endurance in silicon-oxide-nitride-oxide-silicon (SONOS) non-volatile memory transistors are investigated. Analysis of MOSFET sub-threshold characteristics indicate cycling degradation to be a manifestation of interface state (D{sub it}) generation at the tunnel oxide/silicon interface. After 10{sup 6} write/erase cycles, SONOS film stacks prepared with nitrided tunnel oxides exhibit enhanced cycling endurance with {Delta}D{sub it}=3x10{sup 12} V{sup -1}cm{sup -2}, compared to {Delta}D{sub it}=2x10{sup 13} V{sup -l}cm{sup -2} for non-nitrided tunnel oxides. Additionally, if the capping oxide is formed by steam oxidation, rather than by deposition, SONOS stacks prepared with non-nitrided tunnel oxides exhibit endurance characteristics similar to stacks with nitrided tunnel oxides. From this observation it is concluded that latent nitridation of the tunnel oxidehilicon interface occurs during steam oxide cap formation.

  13. Greenhouse gas mitigation technology results of CO{sub 2} capture & disposal studies

    SciTech Connect (OSTI)

    Audus, H.; Riemer, P.W.F.; Ormerod, W.G.

    1995-12-31

    In response to the increase in the global concentrations of greenhouse gases, the IEA Greenhouse Gas R&D Programme is carrying out an assessment of greenhouse gas abatement technologies with particular reference to carbon dioxide emissions from fossil-fuel power generation systems. The Programme has examined, on a consistent basis, the options available for capturing and disposing of the CO{sub 2} product from a range of gas and coal fired power generation plant types, each with an output of 500MW(e). Systems under consideration include PF+FGD, IGCC, NGCC and a CO{sub 2}/O{sub 2} recycle scheme. CO{sub 2} capture technologies considered include chemical and physical absorption, solid adsorption, cryogenics, membrane separation and gas separation membranes. Carbon dioxide disposal options considered are; disposal in the oceans, in aquifers, in depleted gas reservoirs and terrestrial storage as a solid. In addition, a number of studies have evaluated the utilisation of CO{sub 2} for enhanced oil recovery and the manufacture of chemicals, including a detailed investigation of dimethyl carbonate production. Comparison is also made with the alternative stance of compensatory forest plantations and substitution of fossil fuels with biomass. Emphasis has been placed on a requirement to determine the impact of the various technologies on the cost of electricity generation. This has been achieved by analysing the core of specific schemes, on a common basis, and comparative results are presented for various CO{sub 2} abatement options. A member of studies have also been carried out to evaluate transport options and the environmental impact of these technology combinations for carbon dioxide disposal. The results indicate that by combining the most favourable technologies for CO{sub 2} capture and disposal to efficient power generation technology, electricity generation costs could be increased by around 50%. Alternative schemes have similar or even greater cost penalties.

  14. Synthesis, Structure, and Electrochemical Performance of High Capacity Li<sub>2sub>Cu>0.5sub>Ni>0.5sub>O>2sub> Cathodes

    SciTech Connect (OSTI)

    Ruther, Rose E; Zhou, Hui; Dhital, Chetan; Saravanan, Kuppan; Kercher, Andrew K.; Chen, Guoying; Huq, Ashfia; Delnick, Frank M.; Nanda, Jagjit

    2015-09-08

    Orthorhombic Li<sub>2sub>NiO>2sub>, Li<sub>2sub>CuO>2sub>, and solid solutions thereof have been studied as potential cathode materials for lithium-ion batteries due to their high theoretical capacity and relatively low cost. While neither endmember shows good cycling stability, the intermediate composition, Li<sub>2sub>Cu>0.5sub>Ni>0.5sub>O>2sub>, yields reasonably high reversible capacities. A new synthetic approach and detailed characterization of this phase and the parent Li<sub>2sub>CuO>2sub> are presented. The cycle life of Li<sub>2sub>Cu>0.5sub>Ni>0.5sub>O>2sub> is shown to depend critically on the voltage window. The formation of Cu1+ at low voltage and oxygen evolution at high voltage limit the electrochemical reversibility. In situ X-ray absorption spectroscopy (XAS), in situ Raman spectroscopy, and gas evolution measurements are used to follow the chemical and structural changes that occur as a function of cell voltage.

  15. Anisotropic swelling and microcracking of neutron irradiated Ti<sub>3sub>AlC>2sub>-Ti>5sub>Al>2sub>C>3sub> materials

    SciTech Connect (OSTI)

    Ang, Caen K.; Silva, Chinthaka M.; Shih, Chunghao Phillip; Koyanagi, Takaaki; Katoh, Yutai; Zinkle, Steven J.

    2015-12-17

    M<sub>n + 1sub>AXn> (MAX) phase materials based on Ti–Al–C have been irradiated at 400 °C (673 K) with fission neutrons to a fluence of 2 × 1025 n/m2 (E > 0.1 MeV), corresponding to ~ 2 displacements per atom (dpa). We report preliminary results of microcracking in the Al-containing MAX phase, which contained the phases Ti<sub>3sub>AlC>2sub> and Ti<sub>5sub>Al>2sub>C>3sub>. Equibiaxial ring-on-ring tests of irradiated coupons showed that samples retained 10% of pre-irradiated strength. Volumetric swelling of up to 4% was observed. Phase analysis and microscopy suggest that anisotropic lattice parameter swelling caused microcracking. Lastly, variants of titanium aluminum carbide may be unsuitable materials for irradiation at light water reactor-relevant temperatures.

  16. Magnetic properties of bulk, and rapidly solidified nanostructured (Nd<sub>1-xsub>Cex)>2sub>Fe>14-ysub>Coy>B ribbons

    SciTech Connect (OSTI)

    Pathak, Arjun K.; Khan, M.; Gschneidner, Jr., K. A.; McCallum, R. W.; Zhou, L.; Sun, K.; Kramer, M. J.; Pecharsky, V. K.

    2015-11-06

    Magnetic properties of Ce and Co co-doped (Nd<sub>1-xsub>Cex)>2sub>Fe>14-ysub>Coy>B compounds have been investigated both in bulk polycrystalline and rapidly solidified nanostructured ribbon forms. For certain Ce concentrations the materials exhibit spin re-orientation transitions below 140 K. The Curie temperatures, saturation magnetizations, and other magnetic properties relevant for applications as permanent magnets are controlled by Ce and Co substitutions for Nd and Fe, respectively. Most importantly, the results show that Ce, Co co-doped compounds are excellent replacements for several Dy-based high performance permanent magnets (dysprosium is one of the critical elements and is, therefore, in short supply). As a result, the high temperature (>375 K) magnetic properties for Nd–Ce–Fe–Co–B based alloys show promise not only as a replacement for Dy-doped Nd<sub>2sub>Fe>14sub>B permanent magnets, but the new alloys also require significantly lower amounts of Nd, which too is the critical element that can be replaced by a more abundant Ce.

  17. Magnetostructural phase transformations in Tb <sub>1-xsub> Mn <sub>2sub>

    SciTech Connect (OSTI)

    Zou, Junding; Paudyal, Durga; Liu, Jing; Mudryk, Yaroslav; Pecharsky, Vitalij K.; Gschneidner, Karl A.

    2015-01-16

    Magnetism and phase transformations in non-stoichiometric Tb<sub>1-xsub>Mn>2sub> (x = 0.056, 0.039) have been studied as functions of temperature and magnetic field using magnetization, heat capacity, and X-ray powder diffraction measurements. Lowering the temperature, the compounds sequentially order ferrimagnetically and antiferromagnetically, and finally, exhibit spin reorientation transitions. Moreover, these structural distortions from room temperature cubic to low temperature rhombohedral structures occur at T<sub>N>, and are accompanied by large volume changes reaching ~-1.27% and -1.42%, respectively. First principles electronic structure calculations confirm the phase transformation from the ferrimagnetic cubic structure to the antiferromagnetic rhombohedral structure in TbMn<sub>2sub>.

  18. 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 TiO₂ 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 TaSe₂, 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.

  19. 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> = ½, 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> = ½ and the S = ½ 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.

  20. High-G testing of MEMS mechanical non-volatile memory and silicon...

    Office of Scientific and Technical Information (OSTI)

    High-G testing of MEMS mechanical non-volatile memory and silicon re-entry switch. Citation Details In-Document Search Title: High-G testing of MEMS mechanical non-volatile memory ...

  1. Caffeine increases striatal dopamine D<sub>2sub>/D>3sub> receptor availability in the human brain

    SciTech Connect (OSTI)

    Volkow, N. D.; Wang, G. -J.; Logan, J.; Alexoff, D.; Fowler, J. S.; Thanos, P. K.; Wong, C.; Casado, V.; Ferre, S.; Tomasi, D.

    2015-04-14

    Caffeine, the most widely consumed psychoactive substance in the world, is used to promote wakefulness and enhance alertness. Like other wake-promoting drugs (stimulants and modafinil), caffeine enhances dopamine (DA) signaling in the brain, which it does predominantly by antagonizing adenosine A<sub>2Asub> receptors (A<sub>2Asub>R). However, it is unclear if caffeine, at the doses consumed by humans, increases DA release or whether it modulates the functions of postsynaptic DA receptors through its interaction with adenosine receptors, which modulate them. We used positron emission tomography and [11C]raclopride (DA D<sub>2sub>/D>3sub> receptor radioligand sensitive to endogenous DA) to assess if caffeine increased DA release in striatum in 20 healthy controls. Caffeine (300mg p.o.) significantly increased the availability of D<sub>2sub>/D>3sub> receptors in putamen and ventral striatum, but not in caudate, when compared with placebo. In addition, caffeine-induced increases in D<sub>2sub>/D>3sub> receptor availability in the ventral striatum were associated with caffeine-induced increases in alertness. Our findings indicate that in the human brain, caffeine, at doses typically consumed, increases the availability of DA D<sub>2sub>/D>3sub> receptors, which indicates that caffeine does not increase DA in the striatum for this would have decreased D<sub>2sub>/D>3sub> receptor availability. Instead, we interpret our findings to reflect an increase in D<sub>2sub>/D>3sub> receptor levels in striatum with caffeine (or changes in affinity). Furthermore, the association between increases in D<sub>2sub>/D>3sub> receptor availability in ventral striatum and alertness suggests that caffeine might enhance arousal, in part, by upregulating D<sub>2sub>/D>3sub> receptors.

  2. Nanoporous Al2O3 as a "Getter" for Volatile Radionuclides into...

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

    Applications and Industries Environmental cleanup of volatile materials Nuclear fuel reprocessing Governmentcommercial nuclear facilities Chemical separationconcentration Water ...

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

    SciTech Connect (OSTI)

    Aaltonen, T.; lvarez Gonzlez, 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.; dAscenzo, N.; Datta, M.; de Barbaro, P.; DellOrso, M.; Demortier, L.; Deninno, M.; Devoto, F.; dErrico, M.; Di Canto, A.; Di Ruzza, B.; Dittmann, J. R.; DOnofrio, 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.; Gonzlez, 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.; Martnez, 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? 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>)=0.4520.048(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.

  4. 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.

  5. 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; Daz 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>.

  6. Robust antiferromagnetism preventing superconductivity in pressurized (Ba<sub>0.61sub>K>0.39sub>)Mn>2sub>Bi>2sub>

    SciTech Connect (OSTI)

    Gu, Dachun; Dai, Xia; Le, Congcong; Sun, Liling; Wu, Qi; Saparov, Bayrammurad; Guo, Jing; Gao, Peiwen; Zhang, Shan; Zhou, Yazhou; Zhang, Chao; Jin, Shifeng; Xiong, Lun; Li, Rui; Li, Yanchun; Li, Xiaodong; Liu, Jing; Sefat, Athena S.; Hu, Jiangping; Zhao, Zhongxian

    2014-12-05

    BaMn<sub>2sub>Bi>2sub> possesses an iso-structure of iron pnictide superconductors and similar antiferromagnetic (AFM) ground state to that of cuprates, therefore, it receives much more attention on its properties and is expected to be the parent compound of a new family of superconductors. When doped with potassium (K), BaMn<sub>2sub>Bi>2sub> undergoes a transition from an AFM insulator to an AFM metal. Consequently, it is of great interest to suppress the AFM order in the K-doped BaMn<sub>2sub>Bi>2sub> with the aim of exploring the potential superconductivity. Here, we report that external pressure up to 35.6 GPa cannot suppress the AFM order in the K-doped BaMn<sub>2sub>Bi>2sub> to develop superconductivity in the temperature range of 300 K–1.5 K, but induces a tetragonal (T) to an orthorhombic (OR) phase transition at ~20 GPa. Theoretical calculations for the T and OR phases, on basis of our high-pressure XRD data, indicate that the AFM order is robust in the pressurized Ba<sub>0.61sub>K>0.39sub>Mn>2sub>Bi>2sub>. Utlimately, both of our experimental and theoretical results suggest that the robust AFM order essentially prevents the emergence of superconductivity.

  7. High-Temperature Thermoelectric Properties of the Solid-Solution Zintl Phase Eu<sub>11sub>Cd>6sub>Sb>12-xsub>Asx> (x < 3)

    SciTech Connect (OSTI)

    Kazem, Nasrin; Xie, Weiwei; Ohno, Saneyuki; Zevalkink, Alexandra; Miller, Gordon J.; Snyder, G. Jeffrey; Kauzlarich, Susan M.

    2014-02-20

    Zintl phases are compounds that have shown promise for thermoelectric applications. The title solid–solution Zintl compounds were prepared from the elements as single crystals using a tin flux for compositions x = 0, 1, 2, and 3. Eu<sub>11sub>Cd>6sub>Sb>12–xsub>Asx> (x < 3) crystallize isostructurally in the centrosymmetric monoclinic space group C2/m (no. 12, Z = 2) as the Sr<sub>11sub>Cd>6sub>Sb>12sub> structure type (Pearson symbol mC58). Efforts to make the As compositions for x exceeding ~3 resulted in structures other than the Sr<sub>11sub>Cd>6sub>Sb>12sub> structure type. Single-crystal X-ray diffraction indicates that As does not randomly substitute for Sb in the structure but is site specific for each composition. The amount of As determined by structural refinement was verified by electron microprobe analysis. Electronic structures and energies calculated for various model structures of Eu<sub>11sub>Cd>6sub>Sb>10sub>As>2sub> (x = 2) indicated that the preferred As substitution pattern involves a mixture of three of the six pnicogen sites in the asymmetric unit. In addition, As substitution at the Pn4 site opens an energy gap at the Fermi level, whereas substitution at the other five pnicogen sites remains semimetallic with a pseudo gap. Thermoelectric properties of these compounds were measured on hot-pressed, fully densified pellets. Samples show exceptionally low lattice thermal conductivities from room temperature to 775 K: 0.78–0.49 W/mK for x = 0; 0.72–0.53 W/mK for x = 1; and 0.70–0.56 W/mK for x = 2. Eu<sub>11sub>Cd>6sub>Sb>12sub> shows a high p-type Seebeck coefficient (from +118 to 153 μ V/K) but also high electrical resistivity (6.8 to 12.8 mΩ·cm). The value of zT reaches 0.23 at 774 K. The properties of Eu<sub>11sub>Cd>6sub>Sb>12–xsub>Asx> are interpreted in discussion with the As site substitution.

  8. Highly dispersed SiO<sub>x/Al>2sub>O>3sub> catalysts illuminate the reactivity of isolated silanol sites

    SciTech Connect (OSTI)

    Mouat, Aidan R.; George, Cassandra; Kobayashi, Takeshi; Pruski, Marek; van?Duyne, Richard P.; Marks, Tobin J.; Stair, Peter C.

    2015-09-23

    The reaction of ?-alumina with tetraethylorthosilicate (TEOS) vapor at low temperatures selectively yields monomeric SiO<sub>x> species on the alumina surface. These isolated (-AlO)<sub>3sub>Si(OH) sites are characterized by PXRD, XPS, DRIFTS of adsorbed NH<sub>3sub>, CO, and pyridine, and 29Si and 27Al DNP-enhanced solid-state NMR spectroscopy. The formation of isolated sites suggests that TEOS reacts preferentially at strong Lewis acid sites on the ?-Al<sub>2sub>O>3sub> surface, functionalizing the surface with mild Brnsted acid sites. As a result, for liquid-phase catalytic cyclohexanol dehydration, these SiO<sub>x> sites exhibit up to 3.5-fold higher specific activity than the parent alumina with identical selectivity.

  9. Intrinsic quantum anomalous Hall effect in the kagome lattice Cs<sub>2sub>LiMn>3sub>F>12sub>

    SciTech Connect (OSTI)

    Xu, Gang; Lian, Biao; Zhang, Shou -Cheng

    2015-10-27

    In a kagome lattice, the time reversal symmetry can be broken by a staggered magnetic flux emerging from ferromagnetic ordering and intrinsic spin-orbit coupling, leading to several well-separated nontrivial Chern bands and intrinsic quantum anomalous Hall effect. Based on this idea and ab initio calculations, we propose the realization of the intrinsic quantum anomalous Hall effect in the single layer Cs<sub>2sub>Mn>3sub>F>12sub> kagome lattice and on the (001) surface of a Cs<sub>2sub>LiMn>3sub>F>12sub> single crystal by modifying the carrier coverage on it, where the band gap is around 20 meV. Furthermore, a simplified tight binding model based on the in-plane ddσ antibonding states is constructed to understand the topological band structures of the system.

  10. LaCrO{sub 3}-dispersed Cr for metallic interconnect of planar SOFC

    SciTech Connect (OSTI)

    Song, Rak-Hyun; Shin, Dong Ryul; Dokiya, Masayuki

    1996-12-31

    In the planar SOFC, the interconnect materials plays two roles as an electrical connection and as a gas separation plate in a cell stack. The interconnect materials must be chemically stable in reducing and oxidizing environments, and have high electronic conductivity, high thermal conductivity, matching thermal expansion with an electrolyte, high mechanical strength, good fabricability, and gas tightness. Lanthanum chromite so far has been mainly used as interconnect materials in planar SOFC. However, the ceramic materials are very weak in mechanical strength and have poor machining property as compared with metal. Also the metallic materials have high electronic conductivity and high thermal conductivity. Recently some researchers have studied metallic interconnects such as Al{sub 2}O{sub 3}/Inconel 600 cermet, Ni-20Cr coated with (LaSr)CoO{sub 3}, and Y{sub 2}O{sub 3-} or La{sub 2}O{sub 3}-dispersed Cr alloy. These alloys have still some problems because Ni-based alloys have high thermal expansion, the added Al{sub 2}O{sub 3}, Y{sub 2}O{sub 3} and La{sub 2}O{sub 3} to metals have no electronic conductivity, and the oxide formed on the surface of Cr alloy has high volatility. To solve these problems, in this study, LaCrO{sub 3}-dispersed Cr for metallic interconnect of planar SOFC was investigated. The LaCrO{sub 3}-dispersed Cr can be one candidate of metallic interconnect because LaCrO{sub 3} possesses electronic conductivity and Cr metal has relatively low thermal expansion. The content of 25 vol.% LaCrO{sub 3} Was selected on the basis of a theoretically calculated thermal expansion. The thermal expansion, electrical and oxidation properties were examined and the results were discussed as related to SOFC requirements.

  11. Structural phase transitions in Bi<sub>2sub>Se>3sub> under high pressure

    SciTech Connect (OSTI)

    Yu, Zhenhai; Gu, Genda; Wang, Lin; Hu, Qingyang; Zhao, Jinggeng; Yan, Shuai; Yang, Ke; Sinogeikin, Stanislav; Mao, Ho -kwang

    2015-11-02

    Raman spectroscopy and angle dispersive X-ray diffraction (XRD) experiments of bismuth selenide (Bi<sub>2sub>Se>3sub>) have been carried out to pressures of 35.6 and 81.2 GPa, respectively, to explore its pressure-induced phase transformation. The experiments indicate that a progressive structural evolution occurs from an ambient rhombohedra phase (Space group (SG): R-3m) to monoclinic phase (SG: C2/m) and eventually to a high pressure body-centered tetragonal phase (SG: I4/mmm). Evidenced by our XRD data up to 81.2 GPa, the Bi<sub>2sub>Se>3sub> crystallizes into body-centered tetragonal structures rather than the recently reported disordered body-centered cubic (BCC) phase. Furthermore, first principles theoretical calculations favor the viewpoint that the I4/mmm phase Bi<sub>2sub>Se>3sub> can be stabilized under high pressure (>30 GPa). Remarkably, the Raman spectra of Bi<sub>2sub>Se>3sub> from this work (two independent runs) are still Raman active up to ~35 GPa. Furthermore, it is worthy to note that the disordered BCC phase at 27.8 GPa is not observed here. The remarkable difference in atomic radii of Bi and Se in Bi<sub>2sub>Se>3sub> may explain why Bi<sub>2sub>Se>3sub> shows different structural behavior than isocompounds Bi<sub>2sub>Te>3sub> and Sb<sub>2sub>Te>3sub>.

  12. 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.

  13. Atomic Structure of Au<sub>329sub>(SR)>84sub> Faradaurate Plasmonic Nanomolecules

    SciTech Connect (OSTI)

    Kumara, Chanaka; Zuo, Xiaobing; Ilavsky, Jan; Cullen, David; Dass, Amala

    2015-04-03

    To design novel nanomaterials, it is important to precisely control the composition, determine the atomic structure, and manipulate the structure to tune the materials property. Here we present a comprehensive characterization of the material whose composition is Au<sub>329sub>(SR)>84sub> precisely, therefore referred to as a nanomolecule. The size homogeneity was shown by electron microscopy, solution X-ray scattering, and mass spectrometry. We proposed its atomic structure to contain the Au<sub>260sub> core using experiments and modeling of a total-scattering-based atomic-pair distribution functional analysis. HAADF-STEM images shows fcc-like 2.0 ± 0.1 nm diameter nanomolecules.

  14. Method for refreshing a non-volatile memory

    DOE Patents [OSTI]

    Riekels, James E.; Schlesinger, Samuel

    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.

  15. Cr-doped Ge{sub 2}Sb{sub 2}Te{sub 5} for ultra-long data retention phase change memory

    SciTech Connect (OSTI)

    Wang, Qing; Xia, Yangyang; Zheng, Yonghui; Zhang, Qi; Liu, Bo Song, Sannian; Cheng, Yan; Song, Zhitang; Feng, Songlin; Huo, Ruru

    2015-11-30

    Phase change memory is regarded as one of the most promising candidates for the next-generation non-volatile memory. Its storage medium, phase change material, has attracted continuous exploration. Ge{sub 2}Sb{sub 2}Te{sub 5} (GST) is the most popular phase change material, but its thermal stability needs to be improved when used in some fields at high temperature (more than 120 °C). In this paper, we doped Cr atoms into GST and obtained Cr{sub 10}(Ge{sub 2}Sb{sub 2}Te{sub 5}){sub 90} (labeled as Cr-GST) with high thermal stability. For Cr-GST film, the sheet resistance ratio between amorphous and crystalline states is high up to 3 orders of magnitude. The crystalline Cr-GST film inherits the phase structure of GST, with metastable face-centered cubic phase and/or stable hexagonal phase. The doped Cr atoms not only bond with other atoms but also help to improve the anti-oxidation property of Cr-GST. As for the amorphous thermal stability, the calculated temperature for 10-year-data-retention of Cr-GST film, based on the Arrhenius equation, is about 180 °C. The threshold current and threshold voltage of a cell based on Cr-GST are about 6 μA and 2.7 V. The cell could be operated by suitable voltages for more than 40 000 cycles. Thus, Cr-GST is proved to be a promising phase change material with ultra-long data retention.

  16. Influence of Electron Doping on Magnetic Order in CeRu<sub>2sub>Al>10sub>

    SciTech Connect (OSTI)

    Kobayashi, Riki; Kaneko, Koji; Saito, Kotaro; Mignot, Jean-Michel; André, Gilles; Robert, Julien; Wakimoto, Shuichi; Matsuda, Masaaki; Chi, Songxue; Haga, Yoshinori; Matsuda, Tatsuma D.; Yamamoto, Etsuji; Nishioka, Takashi; Matsumura, Masahiro; Tanida, Hiroshi; Sera, Masafumi

    2014-09-17

    The effect of electron doping by the substitution of Rh for Ru on unconventional magnetic order in CeRu<sub>2sub>Al>10sub> was investigated via neutron powder diffraction. In Ce(Ru<sub>1-xsub>Rhx)>2sub>Al>10sub> with x = 0.05, 0.12, and 0.2, reorientation of the ordered moment from the c- to the a-axis takes place in all samples, while the ordering vector q=(0 1 0) remains unchanged within this concentration range. The moment reorientation is accompanied by an enhancement in its size by a factor of ~2.4, from μ=0.43 μ<sub>B> at x=0 to μ =1.06, 1.04, and 1.02 μ<sub>B> for x=0.05, 0.12 and 0.2, respectively. The continuous decrease in N´eel temperature T<sub>0sub>(TN>), despite an abrupt increase in μ , underlines the strong anisotropy in the exchange interaction in CeRu<sub>2sub>Al>10sub>, and the fact that this anisotropy is easily suppressed by electron doping.

  17. Octonary resistance states in La<sub>0.7sub>Sr>0.3sub>MnO>3sub>/BaTiO>3sub>/La>0.7sub>Sr>0.3sub>MnO>3sub> multiferroic tunnel junctions

    SciTech Connect (OSTI)

    Yue -Wei Yin; Tao, Jing; Huang, Wei -Chuan; Liu, Yu -Kuai; Yang, Sheng -Wei; Dong, Si -Ning; Zhu, Yi -Mei; Li, Qi; Li, Xiao -Guang

    2015-10-06

    General drawbacks of current electronic/spintronic devices are high power consumption and low density storage. A multiferroic tunnel junction (MFTJ), employing a ferroelectric barrier layer sandwiched between two ferromagnetic layers, presents four resistance states in a single device and therefore provides an alternative way to achieve high density memories. Here, an MFTJ device with eight nonvolatile resistance states by further integrating the design of noncollinear magnetization alignments between the ferromagnetic layers is demonstrated. Through the angle-resolved tunneling magnetoresistance investigations on La<sub>0.7sub>Sr>0.3sub>MnO>3sub>/BaTiO>3sub>/La>0.7sub>Sr>0.3sub>MnO>3sub> junctions, it is found that, besides collinear parallel/antiparallel magnetic configurations, the MFTJ shows at least two other stable noncollinear (45° and 90°) magnetic configurations. As a result, combining the tunneling electroresistance effect caused by the ferroelectricity reversal of the BaTiO<sub>3sub> barrier, an octonary memory device is obtained, representing potential applications in high density nonvolatile storage in the future.

  18. Cation and Vacancy Disorder in U<sub>1-ysub>NdyO>2.00-Xsub> Alloys

    SciTech Connect (OSTI)

    Barabash, Rozaliya I.; Voit, Stewart L.; Aidhy, Dilpuneet S.; Lee, Seung Min; Knight, Travis W.; Sprouster, David J.; Ecker, Lynne E.

    2015-09-14

    In this study, the intermixing and clustering of U/Nd, O, and vacancies were studied by both laboratory and synchrotron-based x-ray diffraction in U<sub>1-ysub>NdyO>2-Xsub> alloys. It was found that an increased holding time at the high experimental temperature during initial alloy preparation results in a lower disorder of the Nd distribution in the alloys. Adjustment of the oxygen concentration in the U<sub>1-ysub>NdyO>2-Xsub> alloys with different Nd concentrations was accompanied by the formation of vacancies on the oxygen sublattice and a nanocrystalline component. The lattice parameters in the U<sub>1-ysub>NdyO>2-Xsub> alloys were also found to deviate significantly from Vegard's law when the Nd concentration was high (53%) and decreased with increasing oxygen concentration. Such changes indicate the formation of large vacancy concentrations during oxygen adjustment at these high temperatures. Finally, the change in the vacancy concentration after the oxygen adjustment was estimated relative to Nd concentration and oxygen stoichiometry.

  19. 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.

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

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

    Injection | Department of Energy Gasoline and Diesel Fuel Blends for Supercritical Fuel Injection Volatility of Gasoline and Diesel Fuel Blends for Supercritical Fuel Injection Supercritical dieseline could be used in diesel engines having efficient fuel systems and combustion chamber designs that decrease fuel consumption and mitigate emissions. p-02_anitescu.pdf (339.45 KB) More Documents & Publications Preparation, Injection and Combustion of Supercritical Fluids Evaluation of

  1. 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.

  2. From the ternary Eu(Au/In)<sub>2sub> and EuAu<sub>4sub>(Au/In)>2sub> with remarkable Au/In distributions to a new structure type: The gold-rich Eu<sub>5sub>Au>16sub>(Au/In)>6sub> structure

    SciTech Connect (OSTI)

    Steinberg, Simon; Card, Nathan; Mudring, Anja -Verena

    2015-08-13

    The ternary Eu(Au/In)<sub>2sub> (EuAu<sub>0.46sub>In>1.54sub>>(2)sub>) (I), EuAu<sub>4sub>(Au/In)>2sub> (EuAu<sub>4+xsub>In>2–xsub> with x = 0.75(2) (II), 0.93(2), and 1.03(2)), and Eu<sub>5sub>Au>16sub>(Au/In)>6sub> (Eu<sub>5sub>Au>17.29sub>In>4.71(3)sub>) (III) have been synthesized, and their structures were characterized by single-crystal X-ray diffraction. I and II crystallize with the CeCu<sub>2sub>-type (Pearson Symbol oI12; Imma; Z = 4; a = 4.9018(4) Å; b = 7.8237(5) Å; c = 8.4457(5) Å) and the YbAl<sub>4sub>Mo>2sub>-type (tI14; I4/mmm; Z = 2; a = 7.1612(7) Å; c = 5.5268(7) Å) and exhibit significant Au/In disorder. I is composed of an Au/In-mixed diamond-related host lattice encapsulating Eu atoms, while the structure of II features ribbons of distorted, squared Au<sub>8sub> prisms enclosing Eu, Au, and In atoms. Combination of these structural motifs leads to a new structure type as observed for Eu<sub>5sub>Au>16sub>(Au/In)>6sub> (Eu<sub>5sub>Au>17.29sub>In>4.71(3)sub>) (oS108; Cmcm; Z = 4; a = 7.2283(4) Å; b = 9.0499(6) Å; c = 34.619(2) Å), which formally represents a one-dimensional intergrowth of the series EuAu<sub>2sub>–“EuAu>4sub>In>2sub>”. The site preferences of the disordered Au/In positions in II were investigated for different hypothetical “EuAu<sub>4sub>(Au/In)>2sub>” models using the projector-augmented wave method and indicate that these structures attempt to optimize the frequencies of the heteroatomic Au–In contacts. Furthermore, a chemical bonding analysis on two “EuAu<sub>5sub>In” and “EuAu<sub>4sub>In>2sub>” models employed the TB-LMTO-ASA method and reveals that the subtle interplay between the local atomic environments and the bond energies determines the structural and site preferences for these systems.

  3. 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.

  4. Volatilization of organotin compounds from estuarine and coastal environments

    SciTech Connect (OSTI)

    Amouroux, D.; Tessier, E.; Donard, O.F.X.

    2000-03-15

    The occurrence and speciation of volatile tin compounds (Sn) have been investigated in a contaminated area of the Arcachon Bay (SW France) and in the water column of the Scheldt (Belgium/Netherlands) and Gironde (SW France) estuaries. This paper describes the application of a multi-isotope analytical method, using gas chromatography and inductively coupled plasma-mass spectrometry. Analytes were collected by cryogenic trapping of the gaseous species. This trapping has allowed the authors to probe volatile tin compounds by detecting both {sup 118}Sn and {sup 120}Sn isotopes. Volatile organic tin compounds have been determined in both sediment and water. They could result from both natural methylation and hybridization processes of inorganic tin and from anthropogenic butyltin derivatives released from ship antifouling paintings which have accumulated in sediments. The most ubiquitous species were found to be the methylated forms of butyltin derivatives. These results suggest that biological and/or chemical methylation mechanisms are likely to occur in sediments and to lead to remobilization of tin species into the water column and subsequently to the atmosphere. Finally, sediment-water and water-atmosphere fluxes have been calculated to assess the potential impact of these processes on the fate of organotin compounds in coastal environments.

  5. Influence of Ga-concentration on the electrical and magnetic properties of magnetoelectric CoGa<sub>xFe>2–xsub>O>4sub>/BaTiO>3sub> composite

    SciTech Connect (OSTI)

    Ni, Yan; Zhang, Zhen; Nlebedim, Cajetan I.; Jiles, David C.

    2015-03-20

    Multiferroic materials exhibit magnetoelectric (ME) coupling and promise new device applications including magnetic sensors, generators, and filters. An effective method for developing ME materials with enhanced ME effect is achieved by the coupling through the interfacial strain between piezoelectric and magnetostrictive materials. In this study, the electrical and magnetic properties of Ga doped magnetoelectric CoGa<sub>xFe>2–xsub>O>4sub>/BaTiO>3sub> composite are studied systematically. It is found that Ga doping improves the sensitivity of magnetoelastic response and stabilizes the magnetic phase of the composites. More importantly, Ga doping reduces the electrical conductivity of composite, as well as the dielectric loss. An enhancement of the electrostrain with doping Ga is also observed. Quantitative estimation indicates that magnetoelectric coupling is enhanced for Ga-doped CoGa<sub>xFe>2–xsub>O>4sub>/BaTiO>3sub> composites. As a result, the present work is beneficial to the practical application of composite CoFe<sub>2sub>O>4sub>/BaTiO>3sub>-based multiferroic materials.

  6. Synthesis, Crystal and Electronic Structures of the Pnictides AE<sub>3sub>TrPn>3sub> (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)

    SciTech Connect (OSTI)

    Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen

    2015-09-24

    New ternary arsenides AE<sub>3sub>TrAs>3sub> (AE = Sr, Ba; Tr = Al, Ga) and their phosphide analogs Sr<sub>3sub>GaP>3sub> and Ba<sub>3sub>AlP>3sub> have been prepared by reactions of the respective elements at high temperatures. Single-crystal X-ray diffraction studies reveal that Sr<sub>3sub>AlAs>3sub> and Ba<sub>3sub>AlAs>3sub> adopt the Ba<sub>3sub>AlSb>3sub>-type structure (Pearson symbol oC56, space group Cmce, Z = 8). This structure is also realized for Sr<sub>3sub>GaP>3sub> and Ba<sub>3sub>AlP>3sub>. Likewise, the compounds Sr<sub>3sub>GaAs>3sub> and Ba<sub>3sub>GaAs>3sub> crystallize with the Ba<sub>3sub>GaSb>3sub>-type structure (Pearson symbol oP56, space group Pnma, Z = 8). Both structures are made up of isolated pairs of edge-shared AlPn<sub>4sub> and GaPn<sub>4sub> tetrahedra (Pn = pnictogen, i.e., P or As), separated by the alkaline-earth Sr2+ and Ba2+ cations. In both cases, there are no homoatomic bonds, hence, regardless of the slightly different atomic arrangements, both structures can be rationalized as valence-precise [AE2+]<sub>3sub>[Tr3+][Pn3-]<sub>3sub>, or rather [AE2+]<sub>6sub>[Tr>2sub>Pn>6sub>]12-, i.e., as Zintl phases.

  7. YBa sub 2 Cu sub 3 O sub 7 minus x -Y sub 2 O sub 3 system and in situ deposition of trilayer heterostructures by coevaporation

    SciTech Connect (OSTI)

    Ying, Q.Y.; Hilbert, C.; Kumar, N.; Eichman, D.; Thompson, M.; Kroger, H. , Austin, Texas ); Hwang, D.M. )

    1991-12-02

    We have deposited YBa{sub 2}Cu{sub 3}O{sub 7{minus}{ital x}}-Y{sub 2}O{sub 3}-YBa{sub 2}Cu{sub 3}O{sub 7{minus}{ital x}} heterostuctures by an {ital in} {ital situ} electron-beam coevaporation technique. Physical and chemical properties of Y{sub 2}O{sub 3} were studied. The deposition conditions for Y{sub 2}O{sub 3} and YBa{sub 2}Cu{sub 3}O{sub 7{minus}{ital x}} are completely compatible. The crystal structure of Y{sub 2}O{sub 3} provides a close lattice match with YBa{sub 2}Cu{sub 3}O{sub 7{minus}{ital x}} and allows oxygen diffusion through Y{sub 2}O{sub 3}, so that heteroepitaxy and the tetragonal-orthorhombic structural transformations of YBa{sub 2}Cu{sub 3}O{sub 7{minus}{ital x}} can be achieved. The heterostructures are therefore of high quality. Both the top and the bottom YBa{sub 2}Cu{sub 3}O{sub 7{minus}{ital x}} layers are superconducting above 85 K. Tunneling phenomena on junctions fabricated from these trilayers were observed.

  8. Voltage switching of a VO{sub 2} memory metasurface using ionic gel

    SciTech Connect (OSTI)

    Goldflam, M. D.; Liu, M. K.; Chapler, B. C.; Stinson, H. T.; Sternbach, A. J.; McLeod, A. S.; Basov, D. N.; Zhang, J. D.; Geng, K.; Royal, M.; Jokerst, N. M.; Smith, D. R.; Kim, Bong-Jun; Averitt, R. D.; Kim, H-T.

    2014-07-28

    We demonstrate an electrolyte-based voltage tunable vanadium dioxide (VO{sub 2}) memory metasurface. Large spatial scale, low voltage, non-volatile switching of terahertz (THz) metasurface resonances is achieved through voltage application using an ionic gel to drive the insulator-to-metal transition in an underlying VO{sub 2} layer. Positive and negative voltage application can selectively tune the metasurface resonance into the “off” or “on” state by pushing the VO{sub 2} into a more conductive or insulating regime respectively. Compared to graphene based control devices, the relatively long saturation time of resonance modification in VO{sub 2} based devices suggests that this voltage-induced switching originates primarily from electrochemical effects related to oxygen migration across the electrolyte–VO{sub 2} interface.

  9. High-mobility BaSnO{sub 3} grown by oxide molecular beam epitaxy

    SciTech Connect (OSTI)

    Raghavan, Santosh; Schumann, Timo; Kim, Honggyu; Zhang, Jack Y.; Cain, Tyler A.; Stemmer, Susanne

    2016-01-01

    High-mobility perovskite BaSnO{sub 3} films are of significant interest as new wide bandgap semiconductors for power electronics, transparent conductors, and as high mobility channels for epitaxial integration with functional perovskites. Despite promising results for single crystals, high-mobility BaSnO{sub 3} films have been challenging to grow. Here, we demonstrate a modified oxide molecular beam epitaxy (MBE) approach, which supplies pre-oxidized SnO{sub x}. This technique addresses issues in the MBE of ternary stannates related to volatile SnO formation and enables growth of epitaxial, stoichiometric BaSnO{sub 3}. We demonstrate room temperature electron mobilities of 150 cm{sup 2} V{sup −1} s{sup −1} in films grown on PrScO{sub 3}. The results open up a wide range of opportunities for future electronic devices.

  10. 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.

  11. 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.

  12. Eu<sub>3sub>Ir>2sub>In>15sub>: A mixed-valent and vacancy-filled variant of the Sc<sub>5sub>Co>4sub>Si>10sub> structure type with anomalous magnetic properties

    SciTech Connect (OSTI)

    Sarkar, Sumanta; Jana, Rajkumar; Siva, Ramesh; Banerjee, Swastika; Pati, Swapan K.; Balasubramanian, Mahalingam; Peter, Sebastian C.

    2015-10-27

    Here, a new compound, Eu<sub>3sub>Ir>2sub>In>15sub> has been synthesized using indium as an active metal flux. The compound crystallizes in tetragonal P4/mbm space group with lattice parameters, a = 14.8580(4) Å, b = 14.8580(4) Å, c = 4.3901(2) Å. It was further characterized by SEM-EDX studies. The temperature dependent magnetic susceptibility suggests that Eu in this compound is exclusively in divalent state. The effective magnetic moment (μ<sub>eff>) of this compound is 7.35 μ<sub>B>/Eu ion with paramagnetic Curie temperature (θ<sub>p>) of -28 K suggesting antiferromagnetic interaction. The mixed valent nature of Eu observed in magnetic measurements was confirmed by XANES measurements. The compound undergoes demagnetization at a low magnetic field (10 Oe), which is quite unusual for Eu based intermetallic compounds. Temperature dependent resistivity studies reveal that the compound is metallic in nature. A comparative study was made between Eu<sub>3sub>Ir>2sub>In>15sub> and hypothetical vacancy variant Eu<sub>5sub>Ir>4sub>In>10sub> which also crystallizes in the same crystal structure However our computational studies along with control experiments suggest that the latter is thermodynamically less feasible compared to the former and hence we proposed that it is highly unlikely that a RE<sub>5sub>T>4sub>X>10sub> would exist with X as a group 13 elements.

  13. Annealing influence on the magnetostructural transition in Gd<sub>5sub>Si>1.3sub>Ge>2.7sub> thin films

    SciTech Connect (OSTI)

    Pires, A. L.; Belo, J. H.; Gomes, I. T.; Hadimani, R. L.; Jiles, D. C.; Fernandes, L.; Tavares, P. B.; Araújo, J. P.; Lopes, A. M. L.; Pereira, A. M.

    2015-05-19

    Due to the emerging cooling possibilities at the micro and nanoscale, such as the fast heat exchange rate, the effort to synthesize and optimize the magnetocaloric materials at these scales is rapidly growing. Here, we report the effect of different thermal treatments on Gd<sub>5sub>Si>1.3sub>Ge>2.7sub> thin film in order to evaluate the correlation between the crystal structure, magnetic phase transition and magnetocaloric effect. For annealing temperatures higher than 500ºC, the samples showed a typical paramagnetic behavior. On the other hand, thermal treatments below 500ºC promoted the suppression of the magnetostructural transition at 190 K, while the magnetic transition around 249 K is not affected. This magnetostructural transition extinction was reflected in the magnetocaloric behavior and resulted in a drastic decrease in the entropy change peak value (of about 68%). An increase in T<sub>C> was reported, proving that at the nanoscale, heat treatments may be a useful tool to optimize the magnetocaloric properties in Gd<sub>5sub>(SixGe>1-xsub>)>4sub> thin films.

  14. The thermal conductivity of mixed fuel U<sub>xPu>1-xsub>O>2sub>: molecular dynamics simulations

    SciTech Connect (OSTI)

    Liu, Xiang-Yang; Cooper, Michael William Donald; Stanek, Christopher Richard; Andersson, Anders David Ragnar

    2015-10-16

    Mixed oxides (MOX), in the context of nuclear fuels, are a mixture of the oxides of heavy actinide elements such as uranium, plutonium and thorium. The interest in the UO<sub>2sub>-PuO>2sub> system arises from the fact that these oxides are used both in fast breeder reactors (FBRs) as well as in pressurized water reactors (PWRs). The thermal conductivity of UO<sub>2sub> fuel is an important material property that affects fuel performance since it is the key parameter determining the temperature distribution in the fuel, thus governing, e.g., dimensional changes due to thermal expansion, fission gas release rates, etc. For this reason it is important to understand the thermal conductivity of MOX fuel and how it differs from UO<sub>2sub>. Here, molecular dynamics (MD) simulations are carried out to determine quantitatively, the effect of mixing on the thermal conductivity of U<sub>xPu>1-xsub>O>2sub>, as a function of PuO<sub>2sub> concentrations, for a range of temperatures, 300 – 1500 K. The results will be used to develop enhanced continuum thermal conductivity models for MARMOT and BISON by INL. These models express the thermal conductivity as a function of microstructure state-variables, thus enabling thermal conductivity models with closer connection to the physical state of the fuel.

  15. Conduction below 100 °C in nominal Li<sub>6sub>ZnNb>4sub>O>14sub>

    SciTech Connect (OSTI)

    Li, Yunchao; Paranthaman, Mariappan Parans; Gill, Lance W.; Edward W. Hagaman; Wang, Yangyang; Sokolov, Alexei P.; Dai, Sheng; Ma, Cheng; Chi, Miaofang; Veith, Gabriel M.; Manthiram, Arumugam; Goodenough, John B.

    2015-09-15

    The increasing demand for a safe rechargeable battery with a high energy density per cell is driving a search for a novel solid electrolyte with a high Li+ or Na+ conductivity that is chemically stable in a working Li-ion or Na-ion battery. Li<sub>6sub>ZnNb>4sub>O>14sub> has been reported to exhibit a σ <sub>Li> > 10-2 S cm-1 at 250 °C, but to disproportionate into multiple phases on cooling from 850 °C to room temperature. An investigation of the room-temperature Li-ion conductivity in a porous pellet of a multiphase product of a nominal Li<sub>6sub>ZnNb>4sub>O>14sub> composition is shown to have bulk σ <sub>Li> 3.3 x 10-5 S cm-1 at room temperature that increases to 1.4 x 10-4 S cm-1 by 50 °C. 7Li MAS NMR spectra were fitted to two Lorentzian lines, one of which showed a dramatic increase with increasing temperature. As a result, a test for water stability indicates that Li+ may move to the particle and grain surfaces to react with adsorbed water as occurs in the garnet Li+ conductors.

  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

  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. Molecular beam epitaxy of SrTiO{sub 3} with a growth window

    SciTech Connect (OSTI)

    Jalan, Bharat; Moetakef, Pouya; Stemmer, Susanne

    2009-07-20

    Many complex oxides with only nonvolatile constituents do not have a wide growth window in conventional molecular beam epitaxy (MBE) approaches, which makes it difficult to obtain stoichiometric films. Here it is shown that a growth window in which the stoichiometry is self-regulating can be achieved for SrTiO{sub 3} films by using a hybrid MBE approach that uses a volatile metal-organic source for Ti, titanium tetra isopropoxide (TTIP). The growth window widens and shifts to higher TTIP/Sr flux ratios with increasing temperature, showing that it is related to the desorption of the volatile TTIP. We demonstrate stoichiometric, highly perfect, insulating SrTiO{sub 3} films. The approach can be adapted for the growth of other complex oxides that previously were believed to have no wide MBE growth window.

  19. Magnetic structure of the antiferromagnetic Kondo lattice compounds CeRhAl<sub>4sub>Si>2sub> and CeIrAl<sub>4sub>Si>2sub>

    SciTech Connect (OSTI)

    Ghimire, N. J.; Calder, S.; Janoschek, M.; Bauer, E. D.

    2015-06-01

    In this article, we have investigated the magnetic ground state of the antiferromagnetic Kondo-lattice compounds CeMAl<sub>4sub>Si>2sub>(M = Rh, Ir) using neutron powder diffraction. Although both of these compounds show two magnetic transitions T<sub>N1sub> and T<sub>N2sub> in the bulk properties measurements, evidence for magnetic long-range order was only found below the lower transition T<sub>N2sub>. Analysis of the diffraction profiles reveals a commensurate antiferromagnetic structure with a propagation vector k = (0, 0, 1/2). The magnetic moment in the ordered state of CeRhAl<sub>4sub>Si>2sub> and CeIrAl<sub>4sub>Si>2sub> were determined to be 1.14(2) and 1.41(3) <sub>?B>/Ce, respectively, and are parallel to the crystallographic c-axis in agreement with magnetic susceptibility measurements.

  20. Magnetic structure of the antiferromagnetic Kondo lattice compounds CeRhAl<sub>4sub>Si>2sub> and CeIrAl<sub>4sub>Si>2sub>

    SciTech Connect (OSTI)

    Ghimire, N. J.; Calder, S.; Janoschek, M.; Bauer, E. D.

    2015-06-01

    In this article, we have investigated the magnetic ground state of the antiferromagnetic Kondo-lattice compounds CeMAl<sub>4sub>Si>2sub>(M = Rh, Ir) using neutron powder diffraction. Although both of these compounds show two magnetic transitions T<sub>N1sub> and T<sub>N2sub> in the bulk properties measurements, evidence for magnetic long-range order was only found below the lower transition T<sub>N2sub>. Analysis of the diffraction profiles reveals a commensurate antiferromagnetic structure with a propagation vector k = (0, 0, 1/2). The magnetic moment in the ordered state of CeRhAl<sub>4sub>Si>2sub> and CeIrAl<sub>4sub>Si>2sub> were determined to be 1.14(2) and 1.41(3) <sub>μB>/Ce, respectively, and are parallel to the crystallographic c-axis in agreement with magnetic susceptibility measurements.

  1. 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.

  2. The CO<sub>2sub> permeability and mixed gas CO<sub>2sub>/H>2sub> selectivity of membranes composed of CO<sub>2sub>-philic polymers

    SciTech Connect (OSTI)

    Barillas, Mary Katharine; Enick, Robert M.; O’Brien, Michael; Perry, Robert; Luebke, David R.; Morreale, Bryan D.

    2011-04-01

    The objective of this work was to design polymeric membranes that have very high CO<sub>2sub> permeability and high mixed gas selectivity toward CO<sub>2sub> rather than hydrogen. Therefore the membranes were based on "CO<sub>2sub>-philic" polymers that exhibit thermodynamically favorable Lewis acid:Lewis base and hydrogen bonding interactions with CO<sub>2sub>. CO<sub>2sub>-philic polymers that are solid at ambient temperature include polyfluoroacrylate (PFA); polyvinyl acetate (PVAc); and amorphous polylactic acid (PLA). Literature CO<sub>2sub> permeability values for PVAc and PLA are disappointingly low. The cast PFA membranes from this study had low permeabilities (45 barrers at 25º C) and very low CO<sub>2sub>/H>2sub> selectivity of 1.4. CO<sub>2sub>-philic polymers that are liquid at ambient conditions include polyethylene glycol (PEG), polypropylene glycol (PPG), polybutylene glycol with a linear -((CH<sub>2sub>)>4sub>O)-repeat unit (i.e., polytetramethylene ether glycol (PTMEG)), polybutylene glycol (PBG) with a branched repeat unit, perfluoropolyether (PFPE), poly(dimethyl siloxane) (PDMS), and polyacetoxy oxetane (PAO). A small compound, glycerol triacetate (GTA) was also considered because it is similar in chemical structure to a trimer of PVAc. These liquids were tested as supported liquid membranes (SLM) and also (with the exception of PAD and GTA) as rubbery, crosslinked materials. Mixed gas permeability was measured using equimolar mixtures of CO<sub>2sub> and H<sub>2sub> feed streams at one atmosphere total pressure in steady-state flux experiments over the 298-423 K temperature range. The most promising SLMs were those composed of PEG, PTMEG, GTA, and PDMS. For example, at 37º C the PEG-, PTMEG-, GTA- and PDMS-based SLMs exhibited CO<sub>2sub>/H>2sub> selectivity values of ~11, 9, 9, and 3.5, respectively, and CO<sub>2sub> permeability values of ~800, 900, 1900, and 2000 barrers, respectively

  3. Magnetic hardening of Ce<sub>1+xsub>Fe>11–ysub>Coy>Ti with ThMn<sub>12sub> structure by melt spinning

    SciTech Connect (OSTI)

    Zhou, Chen; Sun, Kewei; Pinkerton, Frederick E.; Kramer, M. J.

    2015-04-15

    A recent study on the intrinsic magnetic properties of CeFe<sub>11–ysub>Coy>Ti has revealed that substituting one Co for Fe retains the favorable magnetocrystalline anisotropy H<sub>a> found in the ternary Fe end member, while enhancing the Curie temperature T<sub>c> and saturation magnetization 4πM<sub>s>. These findings warrant further optimization around Co substitution y = 1 to try to exploit the hard magnetic properties of these Ce-based magnets. Both Ce and Co concentrations in Ce<sub>1+xsub>Fe>11–ysub>Coy>Ti have been optimized in the range of x = 0 – 0.2 and y = 0 –1.5. It was found that Co substitution effectively enhances all hard magnetic properties, although the values are still lower than those predicted from the intrinsic magnetic properties. Specifically, T<sub>c> increases from 210 °C to 285 – 350 °C; 4πM<sub>19sub> (magnetization at 19 kOe) from 8.9 kG to 10.5 – 11.5 kG, remanence Br from 3.1 kG to 4.1 – 4.5 kG, and most importantly, H<sub>ci> from 1.1 kOe to 1.5 kOe. As a result, the room temperature energy product (BH)<sub>max> has been increased by over 100% from 0.7 MGOe in Ce<sub>1.1sub>Fe>11sub>Ti to 1.5 MGOe in Ce<sub>1.05sub>Fe>9.75sub>Co>1.25sub>Ti. Microscopy analysis indicates that the addition of Co refines the grain size and promotes chemical homogeneity at the microscopic scale. As a result, the beneficial effect of Co on the microstructure contributes to the improved hard magnetic properties.

  4. 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}.

  5. 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

  6. Ferromagnetic superexchange in insulating Cr<sub>2sub>MoO>6sub> by controlling orbital hybridization

    SciTech Connect (OSTI)

    Zhu, M.; Do, D.; Dela Cruz, Clarina R.; Dun, Zhiling; Cheng, J. -G.; Goto, H.; Uwatoko, Yoshiya; Zou, T.; Zhou, Haidon D.; Mahanti, Subhendra D.; Ke, Xianglin

    2015-09-11

    We report the magnetic and electronic structures of the newly synthesized inverse-trirutile compound Cr<sub>2sub>MoO>6sub>. Despite the same crystal symmetry and similar bond-lengths and bond-angles to Cr<sub>2sub>TeO>6sub>, Cr<sub>2sub>MoO>6sub> possesses a magnetic structure of the Cr<sub>2sub>MoO>6sub> type, different from that seen in Cr<sub>2sub>TeO>6sub>. Ab-initio electronic structure calculations show that the sign and strength of the Cr-O-Cr exchange coupling is strongly influenced by the hybridization between Mo 4d and O 2p orbitals. This result further substantiates our recently proposed mechanism for tuning the exchange interaction between two magnetic atoms by modifying the electronic states of the non-magnetic atoms in the exchange path through orbital hybridization. This approach is fundamentally different from the conventional methods of controlling the exchange interaction by either carrier injection or through structural distortions.

  7. Growth and characterization of Pt-protected Gd<sub>5sub>Si>4sub> thin films

    SciTech Connect (OSTI)

    Hadimani, R L; Mudryk, Y; Prost, T E; Pecharsky, V K; Gschneidner, K A; Jiles, D C

    2014-05-07

    Successful growth and characterization of thin films of giant magnetocaloric Gd<sub>5sub>(SixGe>1-xsub>)>4sub> were reported in the literature with limited success. The inherent difficulty in producing this complex material makes it difficult to characterize all the phases present in the thin films of this material. Therefore, thin film of binary compound of Gd<sub>5sub>Si>4sub> was deposited by pulsed laser deposition. It was then covered with platinum on the top of the film to protect against any oxidation when the film was exposed to ambient conditions. The average film thickness was measured to be approximately 350 nm using a scanning electron microscopy, and the composition of the film was analyzed using energy dispersive spectroscopy. X-ray diffraction analysis indicates the presence of Gd<sub>5sub>Si>4sub> orthorhombic structure along with Gd<sub>5sub>Si>3sub> secondary phase. The transition temperature of the film was determined from magnetic moment vs. temperature measurement. The transition temperature was between 320 and 345 K which is close to the transition temperature of the bulk material. Magnetic moment vs. magnetic field measurement confirmed that the film was ferromagnetic below 342 K.

  8. Composite WO<sub>3sub>/TiO>2sub> nanostructures for high electrochromic activity

    SciTech Connect (OSTI)

    Reyes-Gil, Karla R.; Stephens, Zachary D.; Stavila, Vitalie; Robinson, David B.

    2015-01-06

    A composite material consisting of TiO<sub>2sub> nanotubes (NT) with WO<sub>3sub> electrodeposited on its surface has been fabricated, detached from its Ti substrate, and attached to a fluorine-doped tin oxide (FTO) film on glass for application to electrochromic (EC) reactions. Several adhesion layers were tested, finding that a paste of TiO<sub>2sub> made from commercially available TiO<sub>2sub> nanoparticles creates an interface for the TiO<sub>2sub> NT film to attach to the FTO glass, which is conductive and does not cause solution-phase ions in an electrolyte to bind irreversibly with the material. The effect of NT length and WO<sub>3sub> concentration on the EC performance were studied. As a result, the composite WO<sub>3sub>/TiO>2sub> nanostructures showed higher ion storage capacity, better stability, enhanced EC contrast, and longer memory time compared with the pure WO<sub>3sub> and TiO<sub>2sub> materials

  9. 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.

  10. Small-scale thermal studies of volatile homemade explosives

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

    Sandstrom, Mary M.; Brown, Geoffrey W.; Warner, Kirsten F.; Sorensen, Daniel N.; Phillips, Jason J.; Shelley, Timothy J.; Reyes, Jose A.; Hsu, Peter C.; Reynolds, John G.

    2016-01-26

    Several homemade or improvised explosive mixtures that either contained volatile components or produced volatile products were examined using standard small-scale safety and thermal (SSST) testing that employed differential scanning calorimetry (DSC) techniques (constant heating rate and standard sample holders). KClO3 and KClO4 mixtures with dodecane exhibited different enthalpy behavior when using a vented sample holder in contrast to a sealed sample holder. The standard configuration produced profiles that exhibited only endothermic transitions. The sealed system produced profiles that exhibited additional exothermic transitions absent in the standard configuration produced profiles. When H2O2/fuel mixtures were examined, the volatilization of the peroxide (endothermic)more » dominated the profiles. When a sealed sample holder was used, the energetic releases of the mixture could be clearly observed. For AN and AN mixtures, the high temperature decomposition appears as an intense endothermic event. Using a nominally sealed sample holder also did not adequately contain the system. Only when a high-pressure rated sample holder was used the high temperature decomposition of the AN could be detected as an exothermic release. The testing was conducted during a proficiency (or round-robin type) test that included three U.S. Department of Energy and two U.S. Department of Defense laboratories. In the course of this proficiency test, certain HMEs exhibited thermal behavior that was not adequately accounted for by standard techniques. Further examination of this atypical behavior highlighted issues that may have not been recognized previously because some of these materials are not routinely tested. More importantly, if not recognized, the SSST testing results could lead to inaccurate safety assessments. Furthermore, this study provides examples, where standard techniques can be applied, and results can be obtained, but these results may be misleading in establishing

  11. Reactive Flash Volatilization of Solid, Nonvolatile Fuel - Energy

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

    Innovation Portal Biomass and Biofuels Biomass and Biofuels Find More Like This Return to Search Reactive Flash Volatilization of Solid, Nonvolatile Fuel DOE Grant Recipients University of Minnesota Contact University of Minnesota About This Technology <span id="Caption"><span id="ctl00_MainContentHolder_zoomimage_defaultCaption">Syngas or Synthesis Gas</span></span> Syngas or Synthesis Gas <span id="Caption"><span

  12. Efficient growth of HTS films with volatile elements

    DOE Patents [OSTI]

    Siegal, Michael P.; Overmyer, Donald L.; Dominguez, Frank

    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.

  13. 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.

  14. Magnetic field, frequency and temperature dependence of complex conductance of ultrathin La<sub>1.65sub>Sr>0.45sub>CuO>4sub>/La>2sub>CuO>4sub> films and the organic superconductors κ-(BEDT-TTF)<sub>2sub>Cu[N(CN)>2sub>]Br

    SciTech Connect (OSTI)

    V. A. Gasparov; Bozovic, I.; He, Xi; Dubuis, G.; Pavuna, D.; Kushch, N. D.; Yagubskii, E. B.; Schlueter, J. A.

    2015-09-01

    In this study, we used atomic-layer molecular beam epitaxy (ALL-MBE) to synthesize bilayer films of a cuprate metal (La<sub>1.65sub>Sr>0.45sub>CuO>4sub>) and a cuprate insulator (La<sub>2sub>CuO>4sub>), in which interface superconductivity occurs in a layer that is just one-half unit cell thick. We have studied the magnetic field and temperature dependence of the complex sheet conductance, σ(ω), of these films, and compared them to κκ-(BEDT-TTF)<sub>2sub>Cu[N(CN)>2sub>]Br single crystals. The magnetic field H was applied both parallel and perpendicular to the 2D conducting layers. Experiments have been carried out at frequencies between 23 kHz and 50 MHz using either two-coil mutual inductance technique, or the LC resonators with spiral or rectangular coils. The real and the imaginary parts of the mutual-inductance M(T,ω) between the coil and the sample were measured and converted to complex conductivity. For H perpendicular to the conducting layers, we observed almost identical behavior in both films and κ-Br single crystals: (i) the transition onset in the inductive response, L<sub>k>–1(T) occurs at a temperature lower by 2 K than in Re σ(T), (ii) this shift is almost constant with magnetic field up to 8 T; (iii) the vortex diffusion constant D(T) is exponential due to pinning of vortex cores. These results can be described by the extended dynamic theory of the Berezinski–Kosterlitz–Thouless (BKT) transition and dynamics of bound vortex–antivortex pairs with short separation lengths.

  15. Synthesis and Luminescence Characteristics of Cr3+ doped Y<sub>3sub>Al>5sub>O>12sub> Phosphors

    SciTech Connect (OSTI)

    Smith, Brenda A.; Dabestani, Reza T.; Lewis, Linda A.; Thompson, Cyril V.; Collins, Case T.; Aytug, Tolga

    2015-10-01

    Luminescence performance of yttrium aluminum garnet (Y<sub>3sub>Al>5sub>O>12sub>) phosphors as a function of Cr3+ concentration has been investigated via two different wet-chemical synthesis techniques, direct- (DP) and hydrothermal-precipitation (HP). Using either of these methods, the red-emitting phosphor [Y<sub>3sub>Al>5-xsub>CrxO>12sub> (YAG: Cr3+)] showed similar photoluminescence (PL) intensities once the dopant concentration was optimized. Specifically, the YAG: Cr3+ PL emission intensity reached a maximum at Cr3+ concentrations of x = 0.02 (0.4 at.%) and x = 0.13 (2.6 at.%) for DP and HP processed samples, respectively. The results indicated the strong influence of the processing method on the optimized YAG: Cr3+ performance, where a more effective energy transfer rate between a pair of Cr3+ activators at low concentration levels was observed by using the DP synthesis technique. Development of a highly efficient phosphor, using a facile synthesis approach, could significantly benefit consumer and industrial applications by improving the operational efficiency of a wide range of practical devices.

  16. Connecting thermoelectric performance and topological-insulator behavior: Bi<sub>2sub>Te>3sub> and Bi<sub>2sub>Te>2sub>Se from first principles

    SciTech Connect (OSTI)

    Shi, Hongliang; Parker, David S.; Du, Mao-Hua; Singh, David J.

    2015-01-20

    Thermoelectric performance is of interest for numerous applications such as waste-heat recovery and solid-state energy conversion and will be seen to be closely connected to topological-insulator behavior. In this paper, we here report first-principles transport and defect calculations for Bi<sub>2sub>Te>2sub>Se in relation to Bi<sub>2sub>Te>3sub>. The two compounds are found to contain remarkably different electronic structures in spite of being isostructural and isoelectronic. We also discuss these results in terms of the topological-insulator characteristics of these compounds.

  17. Average and local crystal structures of (Ga<sub>1–xsub>Znx)(N>1–xsub>Ox>) solid solution nanoparticles

    SciTech Connect (OSTI)

    Feygenson, Mikhail; Neuefeind, Joerg C.; Tyson, Trevor A.; Schieber, Natalie; Han, Wei -Qiang

    2015-11-06

    We report the comprehensive study of the crystal structure of (Ga<sub>1–xsub>Znx)(N>1–xsub>Ox>) solid solution nanoparticles by means of neutron and synchrotron x-ray scattering. In our study we used four different types of (Ga<sub>1–xsub>Znx)(N>1–xsub>Ox>) nanoparticles, with diameters of 10–27 nm and x = 0.075–0.51, which show the narrow energy-band gaps from 2.21 to 2.61 eV. The Rietveld analysis of the neutron diffraction data revealed that the average crystal structure is the hexagonal wurtzite (space group P6<sub>3sub>mc), in agreement with previous reports on similar bulk materials. The pair-distribution function (PDF) analysis of the same data found that the local structure is more disordered than the average one. It is best described by the model with a lower symmetry space group P1, where atoms are quasirandomly distorted from their nominal positions in the hexagonal wurtzite lattice.

  18. Giant Magneto-Resistance in Epitaxial (La<sub>0.7sub>Sr>0.3sub>MnO>3sub>)>0.5sub>: (ZnO)<sub>0.5sub> Nanocomposites

    SciTech Connect (OSTI)

    Pan, Wei; Jiang, Y. X.; Ihlefeld, Jon; Lu, Ping; Lee, Stephen R.

    2015-12-01

    A great deal of research has been carried out in oxide material systems. Among them, ZnO and La<sub>0.7sub>Sr>0.3sub>MnO>3sub> (LSMO) are of particular interest due to their superb optical properties and colossal magneto-resistive effect. Here, we report our recent results of magneto-transport studies in self-assembled, epitaxial (ZnO)0.5:(La<sub>0.7sub>Sr>0.3sub>MnO>3sub>)>0.5sub> nanocomposite films.

  19. Supercooled spin liquid state in the frustrated pyrochlore Dy<sub>2sub>Ti>2sub>O>7sub>

    SciTech Connect (OSTI)

    Kassner, Ethan R.; Eyvazov, Azar B.; Pichler, Benjamin; Munsie, Timothy J. S.; Dabkowska, Hanna A.; Luke, Graeme M.; Davis, J. C. Seamus

    2015-06-30

    A “supercooled” liquid develops when a fluid does not crystallize upon cooling below its ordering temperature. Instead, the microscopic relaxation times diverge so rapidly that, upon further cooling, equilibration eventually becomes impossible and glass formation occurs. Classic supercooled liquids exhibit specific identifiers including microscopic relaxation times diverging on a Vogel–Tammann–Fulcher (VTF) trajectory, a Havriliak–Negami (HN) form for the dielectric function ε(ω,T), and a general Kohlrausch–Williams–Watts (KWW) form for time-domain relaxation. Recently, the pyrochlore Dy<sub>2sub>Ti>2sub>O>7sub> has become of interest because its frustrated magnetic interactions may, in theory, lead to highly exotic magnetic fluids. However, its true magnetic state at low temperatures has proven very difficult to identify unambiguously. Here, we introduce high-precision, boundary-free magnetization transport techniques based upon toroidal geometries and gain an improved understanding of the time- and frequency-dependent magnetization dynamics of Dy<sub>2sub>Ti>2sub>O>7sub>. We demonstrate a virtually universal HN form for the magnetic susceptibility χ(ω,T), a general KWW form for the real-time magnetic relaxation, and a divergence of the microscopic magnetic relaxation rates with the VTF trajectory. Low-temperature Dy<sub>2sub>Ti>2sub>O>7sub> therefore exhibits the characteristics of a supercooled magnetic liquid. Lastly, one implication is that this translationally invariant lattice of strongly correlated spins may be evolving toward an unprecedented magnetic glass state, perhaps due to many-body localization of spin.

  20. 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.

  1. Spin Hall magnetoresistance in CoFe<sub>2sub>O>4sub>/Pt films

    SciTech Connect (OSTI)

    Wu, Hao; Qintong, Zhang; Caihua, Wan; Ali, Syed Shahbaz; Yuan, Zhonghui; You, Lu; Wang, Junling; Choi, Yongseong; Han, Xiufeng

    2015-05-13

    Pulse laser deposition and magnetron sputtering techniques have been employed to prepare MgO(001)//CoFe<sub>2sub>O>4sub>/Pt samples. Cross section transmission electron microscope results prove that the CoFe<sub>2sub>O>4sub> film epitaxially grew along (001) direction. X-ray magnetic circular dichroism results show that magnetic proximity effect in this sample is negligible. Magnetoresistance (MR) properties confirm that spin Hall MR (SMR) dominates in this system. Spin Hall effect-induced anomalous Hall voltage was also observed in this sample. Lastly, these results not only demonstrate the universality of SMR effect but also demonstrate the utility in spintronics of CoFe<sub>2sub>O>4sub> as a new type of magnetic insulator.

  2. Investigation of room temperature ferromagnetic nanoparticles of Gd<sub>5sub>Si>4sub>

    SciTech Connect (OSTI)

    Hadimani, R. L.; Gupta, S.; Harstad, S. M.; Pecharsky, V. K.; Jiles, D. C.

    2015-07-06

    Gd<sub>5sub>(SixGe>1-xsub>)>4sub> compounds undergo first-order phase transitions close to room temperature when x ~ = 0.5, which are accompanied by extreme changes of properties. We report the fabrication of the nanoparticles of one of the parent compounds-Gd<sub>5sub>Si>4sub>-using high-energy ball milling. Crystal structure, microstructure, and magnetic properties have been investigated. Particles agglomerate at long milling times, and the particles that are milled >20 min lose crystallinity and no longer undergo magnetic phase transition close to 340 K, which is present in a bulk material. The samples milled for >20 min exhibit a slightly increased coercivity. As a result, magnetization at a high temperature of 275K decreases with the increase in the milling time.

  3. Selective interlayer ferromagnetic coupling between the Cu spins in YBa<sub>2sub>Cu>3sub>O>7–xsub> grown on top of La<sub>0.7sub>Ca>0.3sub>MnO>3sub>

    SciTech Connect (OSTI)

    Huang, S. W.; Wray, L. Andrew; Jeng, Horng -Tay; Tra, V. T.; Lee, J. M.; Langner, M. C.; Chen, J. M.; Roy, S.; Chu, Y. H.; Schoenlein, R. W.; Chuang, Y. -D.; Lin, J. -Y.

    2015-11-17

    Studies to date on ferromagnet/d-wave superconductor heterostructures focus mainly on the effects at or near the interfaces while the response of bulk properties to heterostructuring is overlooked. Here we use resonant soft x-ray scattering spectroscopy to reveal a novel c-axis ferromagnetic coupling between the in-plane Cu spins in YBa<sub>2sub>Cu>3sub>O>7–xsub> (YBCO) superconductor when it is grown on top of ferromagnetic La<sub>0.7sub>Ca>0.3sub>MnO>3sub> (LCMO) manganite layer. This coupling, present in both normal and superconducting states of YBCO, is sensitive to the interfacial termination such that it is only observed in bilayers with MnO<sub>2sub> but not with La<sub>0.7sub>Ca>0.3sub>O interfacial termination. Thus, such contrasting behaviors, we propose, are due to distinct energetic of CuO chain and CuO<sub>2sub> plane at the La<sub>0.7sub>Ca>0.3sub>O and MnO<sub>2sub> terminated interfaces respectively, therefore influencing the transfer of spin-polarized electrons from manganite to cuprate differently. Our findings suggest that the superconducting/ferromagnetic bilayers with proper interfacial engineering can be good candidates for searching the theorized Fulde-Ferrel-Larkin-Ovchinnikov (FFLO) state in cuprates and studying the competing quantum orders in highly correlated electron systems.

  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. Theoretical predictions of properties and volatility of chlorides and oxychlorides of group-4 elements. II. Adsorption of tetrachlorides and oxydichlorides of Zr, Hf, and Rf on neutral and modified surfaces

    SciTech Connect (OSTI)

    Pershina, V.; Borschevsky, A.; Iliaš, M.; Türler, A.

    2014-08-14

    With the aim to interpret results of gas-phase chromatography experiments on volatility of group-4 tetrachlorides and oxychlorides including those of Rf, adsorption enthalpies of these species on neutral, and modified quartz surfaces were estimated on the basis of relativistic, two-component Density Functional Theory calculations of MCl{sub 4}, MOCl{sub 2}, MCl{sub 6}{sup −}, and MOCl{sub 4}{sup 2} with the use of adsorption models. Several mechanisms of adsorption were considered. In the case of physisorption of MCl{sub 4}, the trend in the adsorption energy in the group should be Zr > Hf > Rf, so that the volatility should change in the opposite direction. The latter trend complies with the one in the sublimation enthalpies, ΔH{sub sub}, of the Zr and Hf tetrachlorides, i.e., Zr < Hf. On the basis of a correlation between these quantities, ΔH{sub sub}(RfCl{sub 4}) was predicted as 104.2 kJ/mol. The energy of physisorption of MOCl{sub 2} on quartz should increase in the group, Zr < Hf < Rf, as defined by increasing dipole moments of these molecules along the series. In the case of adsorption of MCl{sub 4} on quartz by chemical forces, formation of the MOCl{sub 2} or MOCl{sub 4}{sup 2−} complexes on the surface can take place, so that the sequence in the adsorption energy should be Zr > Hf > Rf, as defined by the complex formation energies. In the case of adsorption of MCl{sub 4} on a chlorinated quartz surface, formation of the MCl{sub 6}{sup 2−} surface complexes can occur, so that the trend in the adsorption strength should be Zr ≤ Hf < Rf. All the predicted sequences, showing a smooth change of the adsorption energy in the group, are in disagreement with the reversed trend Zr ≈ Rf < Hf, observed in the “one-atom-at-a-time” gas-phase chromatography experiments. Thus, currently no theoretical explanation can be found for the experimental observations.

  6. High antiferromagnetic transition temperature of a honeycomb compound SrRu<sub>2sub>O>6sub>

    SciTech Connect (OSTI)

    Tian, Wei; Svoboda, Chris; Ochi, M.; Matsuda, M.; Cao, Huibo; Cheng, J. -G.; Sales, B. C.; Mandrus, D.; Arita, R.; Trivedi, Nandini; Yan, Jiaqiang

    2015-09-14

    We study the high-temperature magnetic order in a quasi-two-dimensional honeycomb compound SrRu<sub>2sub>O>6sub> by measuring magnetization and neutron powder diffraction with both polarized and unpolarized neutrons. SrRu<sub>2sub>O>6sub> crystallizes into the hexagonal lead antimonate (PbSb<sub>2sub>O>6sub>, space group P31m) structure with layers of edge-sharing RuO6 octahedra separated by Sr2+ ions. SrRu<sub>2sub>O>6sub> is found to order at T<sub>N> = 565 K with Ru moments coupled antiferromagnetically both in plane and out of plane. The magnetic moment is 1.30(2) ?<sub>B>/Ru at room temperature and is along the crystallographic c axis in the G-type magnetic structure. We perform density functional calculations with constrained random-phase approximation (RPA) to obtain the electronic structure and effective intra- and interorbital interaction parameters. The projected density of states shows strong hybridization between Ru 4d and O 2p. By downfolding to the target t<sub>2gsub> bands we extract the effective magnetic Hamiltonian and perform Monte Carlo simulations to determine the transition temperature as a function of interand intraplane couplings. We find a weak interplane coupling, 3% of the strong intraplane coupling, permits three-dimensional magnetic order at the observed T<sub>N> .

  7. Structural and electrical properties of Si- and Ti-doped Cu{sub 2}SnSe{sub 3} bulks

    SciTech Connect (OSTI)

    Wubet, Walelign; Kuo, Dong-Hau

    2015-07-15

    Silicon-doped (Cu{sub 2}(Sn{sub 1−x}Si{sub x})Se{sub 3} and titanium-doped (Cu{sub 2}(Sn{sub 1−x}Ti{sub x})Se{sub 3} at x=0, 0.05, 0.1, 0.15, and 0.2 were prepared at 550 °C for 2 h with soluble sintering aids of volatile Sb{sub 2}S{sub 3} and Te. Defect chemistry was studied by measuring structural and electrical properties of Si-doped and Ti-doped Cu{sub 2}SnSe{sub 3} (CTSe) as a function of dopant concentration. Si-doped CTSe pellets show p-type at x=0 and 0.05 and n-type at x=0.1, 0.15, and 0.2, whereas Ti-doped CTSe pellets show p-type at x=0, 0.05 and 0.1 and n-type at x=0.15 and 0.2. The lowest hole concentration of 3.6×10{sup 17} cm{sup −3} and the highest mobility of 1525 cm{sup 2} V{sup −1} s{sup −1} were obtained for the Si-doped (Cu{sub 2}(Sn{sub 1−x}Si{sub x})Se{sub 3} bulks at x=0.1 (10% Si), while they were 3.1×10{sup 17} cm{sup −3} and 813 cm{sup 2} V{sup −1} s{sup −1} for the Ti-doped CTSe bulks at x=0.15 (15% Ti), as compared to 1.1×10{sup 18} cm{sup −3} and 209 cm{sup 2} V{sup −1} s{sup −1} for undoped one. The explanations based upon antisite defects of Si-to-Sn, Ti-to-Sn, Cu-to-Sn, and Sn-to-Cu for the changes in electrical property were declared. The study in bulk Si-doped and Ti-doped CTSe is based upon defect state and is consistent and supported by the data of electrical property and lattice parameter. - Graphical abstract: Cu{sub 2}SnSe{sub 3} (CTSe) semiconductor is interesting because of its adjustable electrical properties by extrinsic doping. Si and Ti doping in CTSe leads to high carrier mobility above 800 cm{sup 2} V{sup −1} s{sup −1}. - Highlights: • Cu{sub 2}SnSe{sub 3} (CTSe) is an interesting semiconductor because of its adjustable electrical properties. • Cu(In,Ga)Se{sub 2}, on the contrary, is difficult to change its electrical properties. • Si and Ti doping can change p-CTSe to n-CTSe. • The lowest electron concentration in doped CTSe had the highest mobility above 800 cm{sup 2} V{sup

  8. 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.

  9. 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.

  10. Insulating and metallic spin glass in Ni-doped K<sub>xFe>2-ysub>Se₂ single crystals

    SciTech Connect (OSTI)

    Ryu, H.; Abeykoon, M.; Wang, K.; Lei, H.; Lazarevic, N.; Warren, J.; Bozin, E.; Popovic, Z.; Petrovic, C.

    2015-05-04

    Electron doping effects by Ni in K<sub>xFe>2-δ-ysub>Niy>Se₂ (0.06 ≤ y ≤ 1.44) single-crystal alloys are reported.

  11. CaMn<sub>2sub>Sb>2sub>: Spin waves on a frustrated antiferromagnetic honeycomb lattice

    SciTech Connect (OSTI)

    McNally, D. E.; Simonson, J. W.; Kistner-Morris, J. J.; Smith, G. J.; Hassinger, J. E.; DeBeer-Schmidt, L.; Kolesnikov, A. I.; Zaliznyak, I.; Aronson, M. C.

    2015-05-22

    We present inelastic neutron scattering measurements of the antiferromagnetic insulator CaMn<sub>2sub>Sb>2sub>:, which consists of corrugated honeycomb layers of Mn. The dispersion of magnetic excitations has been measured along the H and L directions in reciprocal space, with a maximum excitation energy of ≈ 24 meV. These excitations are well described by spin waves in a Heisenberg model, including first and second neighbor exchange interactions, J<sub>1sub> and J<sub>2sub>, in the Mn plane and also an exchange interaction between planes. The determined ratio J<sub>2sub>/J>1sub> ≈ 1/6 suggests that CaMn<sub>2sub>Sb>2sub>: is the first example of a compound that lies very close to the mean field tricritical point, known for the classical Heisenberg model on the honeycomb lattice, where the N´eel phase and two different spiral phases coexist. The magnitude of the determined exchange interactions reveal a mean field ordering temperature ≈ 4 times larger than the reported N´eel temperature T<sub>N> = 85 K, suggesting significant frustration arising from proximity to the tricritical point.

  12. Emerging site characterization technologies for volatile organic compounds

    SciTech Connect (OSTI)

    Rohay, V.J.; Last, G.V.

    1992-05-01

    A Comprehensive Environmental Response, Compensation, and Liability Act of 1980 (CERCLA) expedited response action (ERA) has been initiated at Hanford Site`s 200 West Area for the removal of carbon tetrachloride from the unsaturated soils. In coordination with the ERA, innovative technology demonstrations are being conducted as part of DOE`s Volatile Organic Compounds -- Arid Integrated Demonstration in an effort to improve upon baseline technologies. Improved methods for accessing, sampling, and analyzing soil and soil-vapor contaminants is a high priority. Sonic drilling is being evaluated as an alternative to cable-tool drilling, while still providing the advantages of reliability, containment, and waste minimization. Applied Research Associates, Inc. used their cone penetrometer in the 200 West Area to install a permanent soil-gas monitoring probe and to collect soil-gas profile data. However, successful application of this technology will require the development of an improved ability to penetrate coarse gravel units. A Science and Engineering Associates Membrane Instrumentation and Sampling Technique (SEAMIST) system designed for collecting in situ soil samples and air permeability data in between drilling runs at variable depths is being tested in 200 West Area boreholes. Analytical technologies scheduled for testing include supercritical fluid extraction and analysis for non- and semi-volatile organic co-contaminants and an unsaturated flow apparatus developed by Washington State University for the measurement of transport parameters.

  13. Emerging site characterization technologies for volatile organic compounds

    SciTech Connect (OSTI)

    Rohay, V.J.; Last, G.V.

    1992-05-01

    A Comprehensive Environmental Response, Compensation, and Liability Act of 1980 (CERCLA) expedited response action (ERA) has been initiated at Hanford Site's 200 West Area for the removal of carbon tetrachloride from the unsaturated soils. In coordination with the ERA, innovative technology demonstrations are being conducted as part of DOE's Volatile Organic Compounds -- Arid Integrated Demonstration in an effort to improve upon baseline technologies. Improved methods for accessing, sampling, and analyzing soil and soil-vapor contaminants is a high priority. Sonic drilling is being evaluated as an alternative to cable-tool drilling, while still providing the advantages of reliability, containment, and waste minimization. Applied Research Associates, Inc. used their cone penetrometer in the 200 West Area to install a permanent soil-gas monitoring probe and to collect soil-gas profile data. However, successful application of this technology will require the development of an improved ability to penetrate coarse gravel units. A Science and Engineering Associates Membrane Instrumentation and Sampling Technique (SEAMIST) system designed for collecting in situ soil samples and air permeability data in between drilling runs at variable depths is being tested in 200 West Area boreholes. Analytical technologies scheduled for testing include supercritical fluid extraction and analysis for non- and semi-volatile organic co-contaminants and an unsaturated flow apparatus developed by Washington State University for the measurement of transport parameters.

  14. Spontaneous formation of suboxidic coordination around Co in ferromagnetic rutile Ti<sub>0.95sub>Co>0.5sub>O>2sub> film

    SciTech Connect (OSTI)

    Hu, Wen; Hayaski, Kouichi; Fukumura, Tomoteru; Akagi, Kazuto; Tsukada, Masaru; Happo, Naohisa; Hosokawa, Shinya; Ohwada, Kenji; Takahasi, Masamitu; Suzuki, Motohiro

    2015-06-02

    To evaluate local atomic structures around Co in high temperature diluted ferromagnetic semiconductor Co-doped TiO<sub>2sub>, x-ray fluorescence holography and x-ray absorption fine structure experiments were carried out on rutile paramagnetic Ti<sub>0.99sub>Co>0.01sub>O>2sub> and ferromagnetic Ti<sub>0.95sub>Co>0.05sub>O>2sub> films. The Co atoms in the Ti<sub>0.99sub>Co>0.01sub>O>2sub> simply substituted for Ti sites in the rutile structure, whereas a suboxidic arrangement of CoO<sub>2sub>Ti>4sub> formed around Co in the Ti<sub>0.95sub>Co>0.05sub>O>2sub> films. A theoretical investigation based on a series of first-principles calculations indicated the stability of the aggregated suboxidic clusters in the rutile TiO<sub>2sub>, supporting our hypothesis for the formation of suboxidic coordination in the highly Co-doped sample. As a result, the suboxidic coordination may be the source of strong exchange interaction, resulting in the high Curie temperature in Co-doped TiO<sub>2sub>.

  15. 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.

  16. 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.

  17. Performances of YBaCo<sub>1.4sub>Cu>0.6sub>O>5+δsub>–Ce>0.8sub>Sm>0.2sub>O>1.9sub> composite cathodes for intermediate-temperature solid oxide fuel cells

    SciTech Connect (OSTI)

    Wang, Lizhong; Peng, Lu; Hu, Michael Z.; Lü, Shiquan; Meng, Xiangwei; Yu, Bo; Wei, Maobin; Fan, Hougang; Yang, Lili

    2015-08-20

    In this paper, the electrochemical properties of YBaCo<sub>1.4sub>Cu>0.6sub>O>5+δsub>–xCe>0.8sub>Sm>0.2sub>O>1.9sub> (YBCC–xSDC, x=20, 30, 40, 50 wt%) have been investigated for the potential application in intermediate-temperature solid oxide fuel cells (IT-SOFCs). No chemical reactions between YBCC cathode and SDC electrolyte, and YBCC and La<sub>0.9sub>Sr>0.1sub>Ga>0.8sub>Mg>0.2sub>O>3-δsub> (LSGM) occur. The thermal expansion coefficient (TEC) of YBCC cathode decreases with SDC addition. The TEC of YBCC–30SDC cathode is 13.60×10–6 K-1 from 30 to 850 °C in air and it exhibits the best electrochemical performance among the YBCC–xSDC cathodes. The polarization resistance (R<sub>p>) of YBCC–30SDC is 0.027 Ω cm2 at 850 °C, 0.044 Ω cm2 at 800 °C and 0.075 Ω cm2 at 750 °C. The maximum power density value of electrolyte-based cell with YBCC–30SDC cathode is 662, 483 and 319 mW cm-2 at 850, 800 and 750 °C, respectively. Finally, preliminary results indicate that YBCC–30SDC is especially promising as a cathode for IT-SOFCs.

  18. Stabilized wide bandgap MAPbBr<sub>xI>3-xsub> perovskite by enhanced grain size and improved crystallinity

    SciTech Connect (OSTI)

    Hu, Miao; Bi, Cheng; Yuan, Yongbo; Bai, Yang; Huang, Jinsong

    2015-12-07

    In this study, the light instability of CH<sub>3sub>NH>3sub>PbIxBr>3–xsub> has been raised one of the biggest challenges for its application in tandem solar cells. Here we show that an improved crystallinity and grain size of CH<sub>3sub>NH>3sub>PbIxBr>3–xsub> films could stabilize these materials under one sun illumination, improving both the efficiency and stability of the wide-bandgap perovskite solar cells.

  19. Anisotropic scattering rate in Fe-substituted Bi<sub>2sub>Sr>2sub>Ca(Cu>1-xsub>Fex)>2sub>O>8+δsub>

    SciTech Connect (OSTI)

    Naamneh, M.; Lubashevsky, Y.; Lahoud, E.; Gu, G.; Kanigel, A.

    2015-05-27

    We measured the electronic structure of Fe substituted Bi2212 using Angle Resolved Photoemission Spectroscopy (ARPES). We find that the substitution does not change the momentum dependence of the superconducting gap but induces a very anisotropic enhancement of the scattering rate. A comparison of the effect of Fe substitution to that of Zn substitution suggests that the Fe reduces T<sub>c> so effectively because it supresses very strongly the coherence weight around the anti-nodes.

  20. Aqueous Sulfate Separation by Sequestration of [(SO<sub>4sub>)>2sub>(H>2sub>O)>4sub>]>4sub> Clusters within Highly Insoluble Imine-Linked Bis-Guanidinium Crystals

    SciTech Connect (OSTI)

    Custelcean, Radu; Williams, Neil J.; Seipp, Charles A.; Ivanov, Aleksandr; Bryantsev, Vyacheslav

    2015-12-18

    Quantitative removal of sulfate from seawater was achieved by selective crystallization of the anion with a bis(guanidinium) ligand self-assembled in situ through imine condensation of simple components. The resulting crystalline salt has an exceptionally low aqueous solubility, on a par with BaSO<sub>4sub>. Single-crystal X-ray diffraction analysis revealed pairs of sulfate anions clustered together with four water molecules within the crystals.

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

    DOE Patents [OSTI]

    Johnson, David R.

    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.

  2. A study of Zn<sub>xsub>ZryOz> mixed oxides for direct conversion of ethanol to isobutene

    SciTech Connect (OSTI)

    Liu, Changjun; Sun, Junming; Smith, Colin; Wang, Yong

    2013-07-15

    Zn<sub>xsub>ZryOz> mixed oxides were studied for direct conversion of ethanol to isobutene. Reaction conditions (temperature, residence time, ethanol molar fraction, steam to carbon ratio), catalyst composition, and pretreatment conditions were investigated, aiming at high-yield production of isobutene under industrially relevant conditions. An isobutene yield of 79% was achieved with an ethanol molar fraction of 8.3% at 475 °C on fresh Zn<sub>1sub>Zr>8sub>O>17sub> catalysts. Further durability and regeneration tests revealed that the catalyst exhibited very slow deactivation via coking formation with isobutene yield maintained above 75% for more than 10 h time-on-stream. More importantly, the catalysts activity in terms of isobutene yield can be readily recovered after in situ calcination in air at 550 °C for 2.5 h. XRD, TPO, IR analysis of adsorbed pyridine (IR-Py), and nitrogen sorption have been used to characterize the surface physical/chemical properties to correlate the structure and performance of the catalysts.

  3. Sonochemical synthesis of highly luminescent Ln<sub>2sub>O>3sub>:Eu3+ (Y, La, Gd) nanocrystals

    SciTech Connect (OSTI)

    Alammar, Tarek; Cybinska, Joanna; Campbell, Paul S.; Mudring, Anja -Verena

    2015-05-12

    In this study, sonication of Ln(CH<sub>3sub>COO)>3sub>·H>2sub>O, Eu(CH<sub>3sub>COO)>3sub>·H>2sub>O and NaOH dissolved in the ionic liquid-butyl-3-methylimidazolium bis(trifluoromethane)sulfonylamide lead to Ln(OH)<sub>3sub>:Eu (Ln: Gd, La, Y) nanoparticles. Subsequent calcination at 800 °C for 3 h allowed to obtain Ln<sub>2sub>O>3sub>:Eu nanopowders. Gd<sub>2sub>O>3sub> and Y<sub>2sub>O>3sub> were obtained in the C-type lanthanide sequioxide structure, whereas La<sub>2sub>O>3sub> crystallized in the A-type. Structure, morphology, and luminescent properties of the nano-oxides were investigated by powder X-ray diffraction (PXRD), scanning electron microscopy (SEM), dispersive X-ray (EDX), and photoluminescence (PL). SEM studies revealed that the synthesized Gd<sub>2sub>O>3sub>:Eu, La<sub>2sub>O>3sub>:Eu, and Y<sub>2sub>O>3sub>:Eu formed nano-spindle, -sheets, and -rods in shape, respectively. The nanoscale materials show very efficient red emission due to the intraconfigurational f–f transitions of Eu3+. The quantum yields for Ln<sub>2sub>O>3sub>:Eu (5%) were determined to be 4.2% for Ln=Gd, 13.8% for Ln=Y and 5.2% for Ln=La. The asymmetric ratio I<sub>02sub>/I>01sub> of Eu3+ varies from 5.3 for Gd<sub>2sub>O>3sub>, to 5.6 for Y<sub>2sub>O>3sub> to 6.5 for La<sub>2sub>O>3sub>, which increased the color chromaticity.

  4. 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.

  5. New operation strategy for driving the selectivity of NO<sub>x> reduction to N<sub>2sub>, NH<sub>3sub> or N<sub>2sub>O during lean/rich cycling of a lean NO<sub>x> trap catalyst

    SciTech Connect (OSTI)

    Mráček, David; Koci, Petr; Choi, Jae -Soon; Partridge, Jr., William P.

    2015-09-08

    Periodical regeneration of NO<sub>x> storage catalyst (also known as lean NO<sub>x> trap) by short rich pulses of CO, H<sub>2sub> and hydrocarbons is necessary for the reduction of nitrogen oxides adsorbed on the catalyst surface. Ideally, the stored NO<sub>x> is converted into N<sub>2sub>, but N<sub>2sub>O and NH<sub>3sub> by-products can be formed as well, particularly at low-intermediate temperatures. The N<sub>2sub> and N<sub>2sub>O products are formed concurrently in two peaks. The primary peaks appear immediately after the rich-phase inception, and tail off with the breakthrough of the reductant front accompanied by NH<sub>3sub> product. In addition, the secondary N<sub>2sub> and N<sub>2sub>O peaks then appear at the rich-to-lean transition as a result of reactions between surface-deposited reductants/intermediates (CO, HC, NH<sub>3sub>, — NCO) and residual stored NO<sub>x> under increasingly lean conditions.

  6. Dual nature of 3 d electrons in YbT <sub>2sub> Zn <sub>20sub> (T = Co; Fe) evidenced by electron spin resonance

    SciTech Connect (OSTI)

    Ivanshin, V. A.; Litvinova, T. O.; Gimranova, K.; Sukhanov, A. A.; Jia, S.; Bud'ko, S. L.; Canfield, P. C.

    2015-03-18

    The electron spin resonance experiments were carried out in the single crystals YbFe<sub>2sub>Zn>20sub>. The observed spin dynamics is compared with that in YbCo<sub>2sub>Zn>20sub> and Yb<sub>2sub>Co>12sub>P>7sub> as well as with the data of inelastic neutron scattering and electronic band structure calculations. Our results provide direct evidence that 3d electrons are itinerant in YbFe<sub>2sub>Zn>20sub> and localized in YbCo<sub>2sub>Zn>20sub>. Possible connection between spin paramagnetism of dense heavy fermion systems, quantum criticality effects, and ESR spectra is discussed.

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

    SciTech Connect (OSTI)

    Ivashchenko, I.A.; Danyliuk, I.V.; Olekseyuk, I.D.; Halyan, V.V.

    2014-02-15

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

  8. Defect-Tolerant Diffusion Channels for Mg2+ Ions in Ribbon-Type Borates: Structural Insights into Potential Battery Cathodes MgVBO<sub>4sub> and Mg<sub>x> Fe<sub>2–xsub>B>2sub>O>5sub>

    SciTech Connect (OSTI)

    Bo, Shou-Hang; Grey, Clare P.; Khalifah, Peter G.

    2015-06-10

    The reversible room temperature intercalation of Mg2+ ions is difficult to achieve, but may offer substantial advantages in the design of next-generation batteries if this electrochemical process can be successfully realized. Two types of quadruple ribbon-type transition metal borates (Mg<sub>xFe>2-xsub>B>2sub>O>5sub> and MgVBO<sub>4sub>) with high theoretical capacities (186 mAh/g and 360 mAh/g) have been synthesized and structurally characterized through the combined Rietveld refinement of synchrotron and time-of-flight neutron diffraction data. Neither MgVBO<sub>4 sub> nor Mg<sub>xFe>2-xsub>B>2sub>O>5sub> can be chemically oxidized at room temperature, though Mg can be dynamically removed from the latter phase at elevated temperatures (approximately 200 - 500 °C). Findings show that Mg diffusion in the Mg<sub>xFe>2-xsub>B>2sub>O>5sub> structure is more facile for the inner two octahedral sites than for the two outer octahedral sites in the ribbons, a result supported by both the refined site occupancies after Mg removal and by bond valence sum difference map calculations of diffusion paths in the pristine material. Mg diffusion in this pyroborate Mg<sub>xFe>2-xsub>B>2sub>O>5sub> framework is also found to be tolerant to the presence of Mg/Fe disorder since Mg ions can diffuse through interstitial channels which bypass Fe-containing sites.

  9. Upper limit to magnetism in LaAIO<sub>3sub>/SrTiO>3sub> heterostructures

    SciTech Connect (OSTI)

    Fitzsimmons, Michael R.; Hengartner, N. W.; Singh, S.; Zhernenkov, M.; Bruno, F. Y.; Santamaria, J.; Brinkman, A.; Huijben, M.; Molegraaf, H.; de la Venta, J.; Schuller, Ivan K.

    2012-02-27

    In 2004 Ohtomo and Hwang reported unusually high conductivity in LaAl0<sub>3sub> and SrTi0<sub>3sub> bilayer samples. Since then, metallic conduction, superconductivity, magnetism, and coexistence of superconductivity and ferromagnetism have been attributed to LaAl0<sub>3sub>/SrTi0<sub>3sub> interfaces. Very recently, two studies have reported large magnetic moments attributed to interfaces from measurement techniques that are unable to distinguish between interfacial and bulk magnetism. Consequently, it is imperative to perform magnetic measurements that by being intrinsically sensitive to interface magnetism are impervious to experimental artifacts suffered by bulk measurements. Using polarized neutron reflectometry we measured the neutron spin dependent reflectivity from four LaAl0<sub>3sub>/SrTi0<sub>3sub> superlattices. Our results indicate the upper limit for the magnetization averaged over the lateral dimensions of the sample induced by an 11 T magnetic field at 1.7 K is less than 2 G. SQUID magnetometry of the neutron superlattice samples sporadically finds an enhanced moment (consistent with past reports), possibly due to experimental artifacts. These observations set important restrictions on theories which imply a strongly enhanced magnetism at the interface between LaAI0<sub>3sub> and SrTi0<sub>3sub>.

  10. Conductivity measurements on H<sub>2sub>O-bearing CO<sub>2sub>-rich fluids

    SciTech Connect (OSTI)

    Capobianco, Ryan M.; Miroslaw S. Gruszkiewicz; Bodnar, Robert J.; Rimstidt, J. Donald

    2014-09-10

    Recent studies report rapid corrosion of metals and carbonation of minerals in contact with carbon dioxide containing trace amounts of dissolved water. One explanation for this behavior is that addition of small amounts of H<sub>2sub>O to CO<sub>2sub> leads to significant ionization within the fluid, thus promoting reactions at the fluid-solid interface analogous to corrosion associated with aqueous fluids. The extent of ionization in the bulk CO<sub>2sub> fluid was determined using a flow-through conductivity cell capable of detecting very low conductivities. Experiments were conducted from 298 to 473 K and 7.39 to 20 MPa with H<sub>2sub>O concentrations up to ~1600 ppmw (xH<sub>2sub>O ≈ 3.9 x 10-3), corresponding to the H<sub>2sub>O solubility limit in liquid CO<sub>2sub> at ambient temperature. All solutions showed conductivities <10 nS/cm, indicating that the solutions were essentially ion-free. Furthermore, this observation suggests that the observed corrosion and carbonation reactions are not the result of ionization in CO<sub>2sub>-rich bulk phase, but does not preclude ionization in the fluid at the fluid-solid interface.

  11. CaMn<sub>2sub>Al>10sub>: Itinerant Mn magnetism on the verge of magnetic order

    SciTech Connect (OSTI)

    Steinke, L.; Simonson, J. W.; Yin, W. -G.; Smith, G. J.; Kistner-Morris, J. J.; Zellman, S.; Puri, A.; Aronson, M. C.

    2015-07-24

    We report the discovery of CaMn<sub>2sub>Al>10sub>, a metal with strong magnetic anisotropy and moderate electronic correlations. Magnetization measurements find a Curie-Weiss moment of 0.83<sub>μB>/Mn, significantly reduced from the Hund's rule value, and the magnetic entropy obtained from specific heat measurements is correspondingly small, only ≈ 9% of Rln2. These results imply that the Mn magnetism is highly itinerant, a conclusion supported by density functional theory calculations that find strong Mn-Al hybridization. Consistent with the layered nature of the crystal structure, the magnetic susceptibility χ is anisotropic below 20 K, with a maximum ratio of χ<sub>[010]sub>/χ>[001]sub> ≈ 3.5. A strong power-law divergence χ(T) ~ T–1.2 below 20 K implies incipient ferromagnetic order, an Arrott plot analysis of the magnetization suggests a vanishing low Curie temperature T<sub>C> ~ 0. Our experiments indicate that CaMn<sub>2sub>Al>10sub> is a rare example of a system where the weak and itinerant Mn-based magnetism is poised on the verge of order.

  12. Controlled peak wavelength shift of Ca{sub 1-} {sub x} Sr {sub x} (S {sub y} Se{sub 1-} {sub y} ):Eu{sup 2+} phosphor for LED application

    SciTech Connect (OSTI)

    Nazarov, Mihail . E-mail: nazarov.mihail@samsung.com; Yoon, Chulsoo

    2006-08-15

    The highly efficient red-orange-yellow-emitting phosphor (Ca{sub 1-} {sub x} Sr {sub x} )(S{sub 1-} {sub y} Se {sub y} ):Eu{sup 2+} in combination with commercial green phosphor SrGa{sub 2}S{sub 4}:Eu{sup 2+} and blue LED are proposed for a three-band white LED. The luminescence mechanism and optimization parameters are discussed on the basis of proposed peak wavelength diagram. - Graphical abstract: 'Peak wavelength diagram for (Ca{sub 1-} {sub x} Sr {sub x} )(S{sub 1-} {sub y} Se {sub y} ):Eu{sup 2+}'.

  13. Structure and properties of Nd{sub 5}Ni{sub 6}In{sub 11}

    SciTech Connect (OSTI)

    Poettgen, R.; Hoffman, R.D.; Kremer, R.K.; Schnelle, W.

    1999-01-01

    The title compound was prepared from the elements by a reaction in an arc melting furnace and subsequent annealing at 970 K. Nd{sub 5}Ni{sub 6}In{sub 11} crystallizes with the orthorhombic Pr{sub 5}Ni{sub 6}In{sub 11}-type structure: Cmmm, a = 1455.9(3) pm, b = 1453.3(3) pm, c = 438.3(1) pm, V = 0.9274(2) nm{sup 3}, wR{sub 2} = 0.0551, 1086 F{sup 2} values, and 42 variables. The structure of Nd{sub 5}Ni{sub 6}In{sub 11} is built up from a complex three-dimensionally infinite [Ni{sub 6}In{sub 11}] polyanionic network in which the neodymium atoms occupy pentagonal and hexagonal channels. Magnetic susceptibility measurements indicate Curie-Weiss behavior above 150 K with an experimental magnetic moment of 3.60(5) {mu}{sub B}/Nd and a paramagnetic Curie temperature of {minus}18(1) K. Antiferromagnetic ordering is detected at T{sub N} = 11.4(1) K. Field- and temperature-dependent magnetization data indicate a complex magnetic phase diagram with spin reorientations into three antiferro- and one ferrimagnetic phase. The magnetic data are supported by specific heat measurements. Nd{sub 5}Ni{sub 6}In{sub 11} is a metallic conductor with a specific resistivity of 120 {mu}{Omega} cm at room temperature.

  14. CF.sub.4 laser

    DOE Patents [OSTI]

    Wittig, Curt; Tiee, Joe J.

    1979-01-01

    A CF.sub.4 laser for producing near 16 .mu.m radiation utilizing a line tunable CO.sub.2 laser as an optical pumping source. The device uses a cryogenically cooled optically pumped cell containing molecular CF.sub.4 gas. An optical resonant cavity formed around the optically pumped cell induces oscillations of near 16 .mu.m radiation from the .nu..sub.2 +.nu..sub.4 .fwdarw..nu..sub.2 transition in the molecular CF.sub.4 gas.

  15. SUB ZERO GROUP, INC.

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

    SUB ZERO GROUP, INC. 4717 Hammersley Road. Madison, WI 53711 P: 800.532.7820 P: 608.271.2233 F: 608.270.3362 Memorandum To: David Foster, Senior Advisor, Office of the Secretary of Energy CQ Michael Lafave, Director of Production Workers, SMART Union Workers Marc Norberg, Assistant to the General President, SMART Union Workers From: Christopher Jessup, Corporate Compliance Manager, Sub-Zero Group, Inc. Date: June 21, 2016 Re: June 15, 2016 Meeting at Department of Energy Forrestal Building in

  16. Phase equilibria in the quasiternary system Ag{sub 2}S–Ga{sub 2}S{sub 3}–In{sub 2}S{sub 3} and optical properties of (Ga{sub 55}In{sub 45}){sub 2}S{sub 300}, (Ga{sub 54.59}In{sub 44.66}Er{sub 0.75}){sub 2}S{sub 300} single crystals

    SciTech Connect (OSTI)

    Ivashchenko, I.A.; Danyliuk, I.V.; Olekseyuk, I.D.; Pankevych, V.Z.; Halyan, V.V.

    2015-07-15

    The quasiternary system Ag{sub 2}S–Ga{sub 2}S{sub 3}–In{sub 2}S{sub 3} was investigated by differential thermal, X-ray diffraction analyses. The phase diagram of the Ga{sub 2}S{sub 3}–In{sub 2}S{sub 3} system and nine polythermal sections, isothermal section at 820 K and the liquidus surface projection were constructed. The existence of the large solid solutions ranges of binary and ternary compounds was established. The range of the existence of the quaternary phase AgGa{sub x}In{sub 5−x}S{sub 8} (2.25≤x≤2.85) at 820 K was determined. The single crystals (Ga{sub 55}In{sub 45}){sub 2}S{sub 300} and (Ga{sub 54.59}In{sub 44.66}Er{sub 0.75}){sub 2}S{sub 300} were grown by a directional crystallization method from solution-melt. Optical absorption spectra in the 500–1600 nm range were recorded. The luminescence of the (Ga{sub 54.59}In{sub 44.66}Er{sub 0.75}){sub 2}S{sub 300} single crystal shows a maximum at 1530 nm for the excitation wavelengths of 532 and 980 nm at 80 and 300 K. - Graphical abstract: Isothermal section of the quasiternary system Ag{sub 2}S–Ga{sub 2}S{sub 3}–In{sub 2}S{sub 3} at 820 K and normalized photoluminescence spectra of the single crystal (Ga{sub 54.59}In{sub 44.66}Er{sub 0.75}){sub 2}S{sub 300} at 300 K. - Highlights: • Isothermal section at 820 K, liquidus surface projection were built for Ag{sub 2}S–Ga{sub 2}S{sub 3}–In{sub 2}S{sub 3}. • Optical properties of single crystals were studied.

  17. Determination of organic acids (C/sub 1/-C/sub 10/) in the atmosphere, motor exhaust, and engine oils

    SciTech Connect (OSTI)

    Kawamura, K.; Ng, L.L.; Kaplan, I.R.

    1985-11-01

    A method is described for the determination of volatile organic acids in the atmosphere, motor exhausts, and engine oils. Atmospheric organic acids were collected on a KOH impregnated quartz filter and derivatized to p-bromophenacyl esters. The derivatives were analyzed by high-resolution capillary gas chromatography and gas chromatography-mass spectrometry. C/sub 1/-C/sub 10/ aliphatic organic acids and benzoic acid were detected in Los Angeles air. Acetic and formic acids are dominant followed by propionic acids. Total concentrations measured were 0.37-7.45 ppb. Organic acids (C/sub 1/-C/sub 10/) were also detected in the motor exhaust from a single automobile at idle conditions and showed that the distribution of individual acids was similar to that in the air, but the concentration was 17 times higher than for the average atmospheric content. Formic, acetic, and benzoic acids were detected as major species of used engine oil, but their content is negligible in new oil.

  18. Structural and magnetic phase transitions in CeCu<sub>6-xsub>Tx> (T = Ag,Pd)

    SciTech Connect (OSTI)

    Poudel, Lekhanath N.; De la cruz, Clarina; Payzant, E. Andrew; Koehler, Michael R.; May, Andrew F.; Garlea, Vasile O.; Taylor, Alice E.; Parker, David S.; Cao, Huibo B.; McGuire, Michael A.; Tian, Wei; Matsuda, Masaaki; Jeen, Hyoung Jeen; Lee, Ho Nyung; Hong, Tao; Calder, Stuart A.; Lumsden, Mark D.; Zhou, Haidong; Keppens, Veerle; Mandrus, D.; Christianson, Andrew D.

    2015-12-15

    The structural and the magnetic properties of CeCu<sub>6-xsub>Agx> (0 ≤ x ≤ 0.85) and CeCu<sub>6-xsub>Pdx> (0 ≤ x ≤ 0.4) have been studied using neutron diffraction, resonant ultrasound spectroscopy (RUS), x-ray diffraction measurements, and first principles calculations. The structural and magnetic phase diagrams of CeCu<sub>6-xsub>Agx> and CeCu<sub>6-xsub>Pdx> as a function of Ag/Pd composition are reported. The end member, CeCu<sub>6sub>, undergoes a structural phase transition from an orthorhombic (Pnma) to a monoclinic (P2<sub>1sub>/c) phase at 240 K. In CeCu<sub>6-xsub>Agx>, the structural phase transition temperature (T<sub>s>) decreases linearly with Ag concentration and extrapolates to zero at x<sub>S> ≈ 0.1. The structural transition in CeCu<sub>6-xsub>Pdx> remains unperturbed with Pd substitution within the range of our study. The lattice constant b slightly decreases with Ag/Pd doping, whereas a and c increase with an overall increase in the unit cell volume. Both systems, CeCu<sub>6-xsub>Agx> and CeCu<sub>6-xsub>Pdx>, exhibit a magnetic quantum critical point (QCP), at x ≈ 0.2 and x ≈ 0.05, respectively. Near the QCP, long range antiferromagnetic ordering takes place at an incommensurate wave vector (δ<sub>1sub> 0 δ<sub>2sub>), where δ<sub>1sub> ~ 0.62, δ<sub>2sub> ~ 0.25, x = 0.125 for CeCu<sub>6-xsub>Pdx> and δ<sub>1sub> ~ 0.64, δ<sub>2sub> ~ 0.3, x = 0.3 for CeCu<sub>6-xsub>Agx>. As a result, the magnetic structure consists of an amplitude modulation of the Ce moments which are aligned along the c axis of the orthorhombic unit cell.

  19. Multi-functional ultrathin Pd<sub>xCu>1-xsub> and Pt~Pd<sub>xCu>1-xsub> one-dimensional nanowire motifs for various small molecule oxidation reactions

    SciTech Connect (OSTI)

    Liu, Haiqing; Wong, Stanislaus S.; Adzic, Radoslav R.

    2015-11-18

    Developing novel electrocatalysts for small molecule oxidation processes, including formic acid oxidation (FAOR), methanol oxidation reaction (MOR), and ethanol oxidation reaction (EOR), denoting the key anodic reactions for their respective fuel cell configurations, is a significant and relevant theme of recent efforts in the field. Herein, in this report, we demonstrated a concerted effort to couple and combine the benefits of small size, anisotropic morphology, and tunable chemical composition in order to devise a novel “family” of functional architectures. In particular, we have fabricated not only ultrathin 1-D Pd<sub>1–xsub>Cux> alloys but also Pt-coated Pd<sub>1–xsub>Cux> (i.e., Pt~Pd<sub>1–xsub>Cux>; herein the ~ indicates an intimate association, but not necessarily actual bond formation, between the inner bimetallic core and the Pt outer shell) core–shell hierarchical nanostructures with readily tunable chemical compositions by utilizing a facile, surfactant-based, wet chemical synthesis coupled with a Cu underpotential deposition technique. Our main finding is that our series of as-prepared nanowires are functionally flexible. More precisely, we demonstrate that various examples within this “family” of structural motifs can be tailored for exceptional activity with all 3 of these important electrocatalytic reactions. In particular, we note that our series of Pd<sub>1–xsub>Cux> nanowires all exhibit enhanced FAOR activities as compared with not only analogous Pd ultrathin nanowires but also commercial Pt and Pd standards, with Pd<sub>9sub>Cu representing the “optimal” composition. Moreover, our group of Pt~Pd<sub>1–xsub>Cux> nanowires consistently outperformed not only commercial Pt NPs but also ultrathin Pt nanowires by several fold orders of magnitude for both the MOR and EOR reactions in alkaline media. As a result, the variation of the MOR and EOR performance with

  20. In-Situ Contained And 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.

  1. 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.

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

    SciTech Connect (OSTI)

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

    2012-03-22

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

  3. Apparatus for sensing volatile organic chemicals in fluids

    DOE Patents [OSTI]

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

    2005-06-07

    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.

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

    DOE Patents [OSTI]

    Hall, David R.; Bartholomew, David B.; Johnson, Monte L.

    2007-09-25

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

  5. Laboratory equipment and data interpretation method for predicting volatile emissions during solidification

    SciTech Connect (OSTI)

    Su, H.J.J.; Jensen, R.H.; Hinsenveld, M.

    1996-12-31

    Volatilization is a valid concern in the solidification of wastes containing organics. In the presence of strongly adsorbing substances, however, even volatile compounds may not rule out solidification. In order to distinguish between wastes having negligible emissions and those from which emissions may be problematic, a definition of a volatilization potential and a method of determining this potential is needed. The assessment method can be based on the emission rate measured in a standardized laboratory setup. This paper begins to develop a laboratory setup and a reference framework for the interpretation of the measured emissions from sludges. A volatilization quality index is derived, which can be used to evaluate and rank the potential of volatilization from sludges during mixing operations. This quality index is related to the measured emissions from an organic sludge taken from a waste site. The implications of the experimental results are related to practice.

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

    DOE Patents [OSTI]

    Ciszek, Theodore F.

    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.

  7. 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.

  8. 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.

  9. 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.

  10. Proton form factor ratio, μ<sub>psub>G<sub>Esub>P/G<sub>M>P from double spin asymmetry

    SciTech Connect (OSTI)

    Habarakada Liyanage, Anusha Pushpakumari

    2013-08-01

    The form factors are fundamental properties of the nucleon representing the effect of its structure on its response to electromagnetic probes such as electrons. They are functions of the four-momentum transfer squared Q2 between the electron and the proton. This thesis reports the results of a new measurement of the ratio of the electric and magnetic form factors of the proton up to Q2 = 5.66 (GeV/c)2 using the double spin asymmetry with a polarized beam and target. Experiment E07-003 (SANE, Spin Asymmetries of the Nucleon Experiment) was carried out in Hall C at Jefferson Lab in 2009 to study the proton spin structure functions with a dynamically polarized ammonia target and longitudinally polarized electron beam. By detecting elastically scattered protons in the High-Momentum Spectrometer (HMS) in coincidence with the electrons in the Big Electron Telescope Array (BETA), elastic measurements were carried out in parallel. The elastic double spin asymmetry allows one to extract the proton electric to magnetic form factor ratio Gp<sub>E/GpM> at high-momentum transfer, Q2= 5.66 (GeV/c)2. In addition to the coincidence data, inclusively scattered electrons from the polarized ammonia target were detected by HMS, which allows to measure the beam-target asymmetry in the elastic region with the target spin nearly perpendicular to the momentum transfer, and to extract Gp<sub>E/GpM> at low Q2= 2.06 (GeV/c)2. This alternative measurement of Gp<sub>E/GpM> has verified and confirmed the dramatic discrepancy at high Q2 between the Rosenbluth and the recoil-polarization-transfer iv method with a different measurement technique and systematic uncertainties uncorrelated to those of the recoil-polarization measurements. The measurement of the form factor ratio at Q2 = 2

  11. Site Dependency of the High Conductivity of Ga <sub>2sub> In <sub>6sub> Sn <sub>2sub> O <sub>16sub> : The Role of the 7-Coordinate Site

    SciTech Connect (OSTI)

    Rickert, Karl; Huq, Ashfia; Lapidus, Saul H.; Wustrow, Allison; Ellis, Donald E.; Poeppelmeier, Kenneth R.

    2015-11-11

    In 6-coordinated cation sites, we find that it is the fundamental building block of the most effective transparent conducting oxides. Ga<sub>2sub>In>6sub>SnO>16sub>, however, maintains 4-, 6-, 7-, and 8-coordinated cation sites and still exhibits desirable transparency and high conductivity. To investigate the potential impact of these alternative sites, we partially replace the Sn in Ga<sub>2sub>In>6sub>Sn>2sub>O>16sub> with Ti, Zr, or Hf and use a combined approach of density functional theory-based calculations, X-ray diffraction, and neutron diffraction to establish that the substitution occurs preferentially on the 7-coordinate site. Conversely to Sn, the empty d orbitals of Ti, Zr, and Hf promote spd covalency with the surrounding oxygen, which decreases the conductivity. Pairing the substitutional site preference with the magnitude of this decrease demonstrates that the 7-coordinate site is the V major contributor to conductivity. The optical band gaps, in contrast, are shown to be site-independent and composition-dependent. After all 7-coordinate Sn has been replaced, the continued substitution of Sn results in the formation of a 7-coordinate In antisite or replacement of 6-coordinate Sn, depending on the identity of the d(0) substitute.

  12. Resonant magneto-optic Kerr effect in the magnetic topological insulator Cr:(Sb<sub>x,Bi>1–xsub>)>2sub>Te>3sub>

    SciTech Connect (OSTI)

    Patankar, Shreyas; Hinton, J. P.; Griesmar, Joel; Orenstein, J.; Dodge, J. S.; Kou, Xufeng; Pan, Lei; Wang, Kang L.; Bestwick, A. J.; Fox, E. J.; Goldhaber-Gordon, D.; Wang, Jing; Zhang, Shou -Cheng

    2015-12-31

    Here, we report measurements of the polar Kerr effect, proportional to the out-of-plane component of the magnetization, in thin films of the magnetically doped topological insulator (Cr<sub>0.12sub>Bi>0.26sub>Sb>0.62sub>)>2sub>Te>3sub>. Measurements of the complex Kerr angle ΘK were performed as a function of photon energy in the range 0.8eV < ℏω < 3.0eV. We observed a peak in the real part of Θ<sub>K>(ω) and zero crossing in the imaginary part that we attribute to a resonant interaction with a spin-orbit avoided crossing located ≈ 1.6 eV above the Fermi energy. The resonant enhancement allows measurement of the temperature and magnetic field dependence of Θ<sub>K> in the ultrathin film limit, d ≥ 2 quintuple layers (QL). We find a sharp transition to zero remanent magnetization at 6 K for d < 8 QL, consistent with theories of the dependence of impurity spin interactions on film thickness and their location relative to topological insulator surfaces.

  13. Magnetic ordering in the frustrated J<sub>1sub> - J<sub>2sub> Ising chain candidate BaNd<sub>2sub>O>4sub>

    SciTech Connect (OSTI)

    Aczel, Adam A.; Li, Ling; Garlea, Vasile O.; Yan, Jiaqiang; Weickert, Franziska; Jaime, M.; Maiorov, B.; Movshovich, R.; Civale, L.; Keppens, V.; Mandrus, D.

    2014-10-06

    The AR<sub>2sub>O>4sub> family (R = rare earth) has recently been attracting interest as a new series of frustrated magnets, with the magnetic R atoms forming zigzag chains running along the c axis. In this paper, we have investigated polycrystalline BaNd<sub>2sub>O>4sub> with a combination of magnetization, heat-capacity, and neutron powder diffraction measurements. Magnetic Bragg peaks are observed below T<sub>N> = 1.7 K, and they can be indexed with a propagation vector of k = (0,1/2,1/2). The signal from magnetic diffraction is well described by long-range ordering of only one of the two types of Nd zigzag chains, with collinear up-up-down-down intrachain spin configurations (double Néel state). Furthermore, low-temperature magnetization and heat-capacity measurements reveal two magnetic-field-induced spin transitions at 2.75 and 4 T for T = 0.46 K. The high-field phase is paramagnetic, while the intermediate-field state may arise from a spin transition of the long-range ordered Nd chains. Finally, one possible candidate for the field-induced ordered state corresponds to an up-up-down intrachain spin configuration, as predicted for a classical J<sub>1sub>-J>2sub> Ising chain with a double Néel ground state in zero field.

  14. Role of chalcogen vapor annealing in inducing bulk superconductivity in Fe<sub>1+ysub>Te>1-xsub>Sex> [How does annealing in chalcogen vapor induce superconductivity in Fe<sub>1+ysub>Te-xSex>?

    SciTech Connect (OSTI)

    Lin, Wenzhi; Ganesh, P.; Gianfrancesco, Anthony; Berlijn, Tom; Maier, Thomas A.; Kalinin, Sergei V.; Sales, Brian C.; Pan, Minghu

    2015-02-01

    Recent investigations have shown that Fe<sub>1+ysub>Te>1-xsub>Sex> can be made superconducting by annealing it in Se and O vapors. The current lore is that these chalcogen vapors induce superconductivity by removing the magnetic excess Fe atoms. To investigate this phenomenon we performed a combination of magnetic susceptibility, specific heat and transport measurements together with scanning tunneling microscopy and spectroscopy and density functional theory calculations on Fe<sub>1+ysub>Te>1-xsub>Sex> treated with Te vapor. We conclude that the main role of the Te vapor is to quench the magnetic moments of the excess Fe atoms by forming FeTe<sub>m> (m ≥ 1) complexes. We show that the remaining FeTe<sub>m> complexes are still damaging to the superconductivity and therefore that their removal potentially could further improve superconductive properties in these compounds.

  15. CuInP<sub>2sub>S>6sub> Room Temperature Layered Ferroelectric

    SciTech Connect (OSTI)

    Belianinov, Alex; He, Qian; Dziaugys, Andrius; Maksymovych, Petro; Eliseev, Eugene; Borisevich, Albina Y.; Morozovska, Anna N.; Banys, Juras; Vysochanskii, Yulian; Kalinin, Sergei V.

    2015-05-01

    In this paper, we explore ferroelectric properties of cleaved 2-D flakes of copper indium thiophosphate, CuInP<sub>2sub>S>6sub> (CITP), and probe size effects along with limits of ferroelectric phase stability, by ambient and ultra high vacuum scanning probe microscopy. CITP belongs to the only material family known to display ferroelectric polarization in a van der Waals, layered crystal at room temperature and above. Our measurements directly reveal stable, ferroelectric polarization as evidenced by domain structures, switchable polarization, and hysteresis loops. We found that at room temperature the domain structure of flakes thicker than 100 nm is similar to the cleaved bulk surfaces, whereas below 50 nm polarization disappears. We ascribe this behavior to a well-known instability of polarization due to depolarization field. Furthermore, polarization switching at high bias is also associated with ionic mobility, as evidenced both by macroscopic measurements and by formation of surface damage under the tip at a bias of 4 V—likely due to copper reduction. Mobile Cu ions may therefore also contribute to internal screening mechanisms. Finally, the existence of stable polarization in a van-der-Waals crystal naturally points toward new strategies for ultimate scaling of polar materials, quasi-2D, and single-layer materials with advanced and nonlinear dielectric properties that are presently not found in any members of the growing “graphene family”.

  16. Substitution studies of Mn and Fe in Ln{sub 6}W{sub 4}Al{sub 43} (Ln=Gd, Yb) and the structure of Yb{sub 6}Ti{sub 4}Al{sub 43}

    SciTech Connect (OSTI)

    Treadwell, LaRico J.; Watkins-Curry, Pilanda; McAlpin, Jacob D.; Prestigiacomo, Joseph; Stadler, Shane; Chan, Julia Y.

    2014-02-15

    The synthesis and characterization of Mn- and Fe-substituted Ln{sub 6}W{sub 4}Al{sub 43} (Ln=Gd, Yb) and Yb{sub 6}Ti{sub 4}Al{sub 43} are reported. The compounds adopt the Ho{sub 6}Mo{sub 4}Al{sub 43} structure type with lattice parameters of a∼11 Å and c∼17.8 Å with structural site preferences for Mn and Fe. The magnetization of Yb{sub 6}W{sub 4}Al{sub 43} is sensitive to Mn and Fe doping, which is evident by an increase in the field dependent magnetization. Gd{sub 6}W{sub 4}Al{sub 43}, Gd{sub 6}W{sub 4}Al{sub 42.31(11)}Mn{sub 0.69(11)}, and Gd{sub 6}W{sub 4}Al{sub 41.69(12)}Fe{sub 1.30(12)} order antiferromagnetically in the ab- and c-directions at 15, 14, and 13 K, respectively, with positive Weiss constants, suggesting the presence of ferromagnetic exchange interactions. Anisotropic magnetization data of Gd{sub 6}W{sub 4}Al{sub 43−y}T{sub y} (T=Mn, Fe) analogs are discussed. - Graphical abstract: The magnetic susceptibility of Ln{sub 6}W{sub 4−x}Al{sub 43−y}T{sub x+y} (Ln = Gd, Yb; T= Mn, Fe). Display Omitted - Highlights: • Single crystals of Ln{sub 6}W{sub 4−x}Al{sub 43−y}T{sub x+y} were grown with Al-flux. • Anisotropic magnetic behavior were determined on single crystals. • Gd{sub 6}W{sub 4−x}Al{sub 43−y}T{sub x+y} (T=Mn, Fe) analogs order antiferromagnetically.

  17. Solvate Structures and Computational/Spectroscopic Characterization of LiBF<sub>4sub> Electrolytes

    SciTech Connect (OSTI)

    Seo, D. M.; Boyle, Paul D.; Allen, Joshua L.; Han, Sang D.; Jonsson, Erlendur; Johansson, Patrik; Henderson, Wesley A.

    2014-07-21

    Crystal structures have been determined for both LiBF<sub>4sub> and HBF<sub>4sub> solvates—(acetonitrile)<sub>2sub>:LiBF>4sub>, (ethylene glycol diethyl ether)<sub>1sub>:LiBF>4sub>, (diethylene glycol diethyl ether)1:LiBF<sub>4sub>, (tetrahydrofuran)<sub>1sub>:LiBF4, (methyl methoxyacetate)<sub>1sub>:LiBF>4sub>, (suc-cinonitrile)<sub>1sub>:LiBF>4sub>, (N,N,N',N",N"-pentamethyldiethylenetriamine)1:HBF<sub>4sub>, (N,N,N',N'-tetramethylethylenediamine)<sub>3/2sub>:HBF>4sub> and (phenanthroline)<sub>2sub>:HBF>4sub>. These, as well as other known LiBF<sub>4sub> solvate structures, have been characterized by Raman vibrational spectroscopy to unambiguously assign the anion Raman band positions to specific forms of BF<sub>4sub>-...Li+ cation coordination. In addition, complementary DFT calculations of BF<sub>4sub>-...Li+ cation complexes have provided additional insight into the challenges associated with accurately interpreting the anion interactions from experimental Raman spectra. This information provides a crucial tool for the characterization of the ionic association interactions within electrolytes.

  18. Influence of defects on the charge density wave of ([SnSe]<sub>1+?sub>)>1sub>(VSe>2sub>)>1sub> ferecrystals

    SciTech Connect (OSTI)

    Falmbigl, Matthias; Putzky, Daniel; Ditto, Jeffrey; Esters, Marco; Bauers, Sage R.; Ronning, Filip; Johnson, David C.

    2015-07-14

    A series of ferecrystalline compounds ([SnSe]<sub>1+?sub>)>1sub>(VSe>2sub>)>1sub> with varying Sn/V ratios were synthesized using the modulated elemental reactant technique. Temperature-dependent specific heat data reveal a phase transition at 102 K, where the heat capacity changes abruptly. An abrupt increase in electrical resistivity occurs at the same temperature, correlated with an abrupt increase in the Hall coefficient. Combined with the magnitude and nature of the specific heat discontinuity, this suggests that the transition is similar to the charge density wave transitions in transition metal dichalcogenides. An ordered intergrowth was formed over a surprisingly wide compositional range of Sn/V ratios of 0.89 ? 1 + ? ? 1.37. X-ray diffraction and transmission electron microscopy reveal the formation of various volume defects in the compounds in response to the nonstoichiometry. The electrical resistivity and Hall coefficient data of samples with different Sn/V ratios show systematic variation in the carrier concentration with the Sn/V ratio. There is no significant change in the onset temperature of the charge density wave transition, only a variation in the carrier densities before and after the transition. Given the sensitivity of the charge density wave transitions of transition metal dichalcogenides to variations in composition, it is very surprising that the charge density wave transition observed at 102 K for ([SnSe]<sub>1.15sub>)>1sub>(VSe>2sub>)>1sub> is barely influenced by the nonstoichiometry and structural defects. As a result, this might be a consequence of the two-dimensional nature of the structurally independent VSe<sub>2sub> layers.

  19. 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>O₃ (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 μ<sub>B>/f.u) on high quality (001) SrTiO₃. X-ray magnetic circular dichroism showed that the ferrimagnetism arose from antiferromagnetically coupled Fe³⁺ and Mn³⁺. 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.

  20. 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.

  1. 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 (3.54.9 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

  2. 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

  3. Crystal structure and thermal expansion of a CsCe<sub>2sub>Cl>7sub> scintillator

    SciTech Connect (OSTI)

    Zhuravleva, M.; Lindsey, A.; Chakoumakos, B. C.; Custelcean, R.; Meilleur, F.; Hughes, R. W.; Kriven, W. M.; Melcher, C. L.

    2015-04-06

    Here we used single-crystal X-ray diffraction data to determine crystal structure of CsCe<sub>2sub>Cl>7sub>. It crystallizes in a P112<sub>1sub>/b space group with a = 19.352(1) Å, b = 19.352(1) Å, c = 14.838(1) Å, γ = 119.87(2) ° , and V = 4818.6(5) Å3. Differential scanning calorimetry measurements combined with the structural evolution of CsCe<sub>2sub>Cl>7sub> via X-ray diffractometry over a temperature range from room temperature to the melting point indicates no obvious intermediate solid-solid phase transitions. The anisotropy in the average linear coefficient of thermal expansion of the a axis (21.3 10-6/ °C) with respect to the b and c axes (27.0 10-6/ °C) was determined through lattice parameter refinement of the temperature dependent diffraction patterns. Lastly, these findings suggest that the reported cracking behavior during melt growth of CsCe<sub>2sub>Cl>7sub> bulk crystals using conventional Bridgman and Czochralski techniques may be largely attributed to the anisotropy in thermal expansion.

  4. Alternating magnetic anisotropy of Li<sub>2sub>(Li>1xsub>Tx>)N (T = Mn, Fe, Co, and Ni)

    SciTech Connect (OSTI)

    Jesche, A.; Ke, L.; Jacobs, J. L.; Harmon, B.; Houk, R. S.; Canfield, P. C.

    2015-05-11

    Substantial amounts of the transition metals Mn, Fe, Co, and Ni can be substituted for Li in single crystalline Li<sub>2sub>(Li>1xsub>Tx>)N. Isothermal and temperature-dependent magnetization measurements reveal local magnetic moments with magnitudes significantly exceeding the spin-only value. The additional contributions stem from unquenched orbital moments that lead to rare-earth-like behavior of the magnetic properties. Accordingly, extremely large magnetic anisotropies have been found. Most notably, the magnetic anisotropy alternates as easy plane?easy axis?easy plane?easy axis when progressing from T = Mn ? Fe ? Co ? Ni. This behavior can be understood based on a perturbation approach in an analytical, single-ion model. As a result, the calculated magnetic anisotropies show surprisingly good agreement with the experiment and capture the basic features observed for the different transition metals.

  5. Alternating magnetic anisotropy of Li<sub>2sub>(Li>1–xsub>Tx>)N (T = Mn, Fe, Co, and Ni)

    SciTech Connect (OSTI)

    Jesche, A.; Ke, L.; Jacobs, J. L.; Harmon, B.; Houk, R. S.; Canfield, P. C.

    2015-05-11

    Substantial amounts of the transition metals Mn, Fe, Co, and Ni can be substituted for Li in single crystalline Li<sub>2sub>(Li>1–xsub>Tx>)N. Isothermal and temperature-dependent magnetization measurements reveal local magnetic moments with magnitudes significantly exceeding the spin-only value. The additional contributions stem from unquenched orbital moments that lead to rare-earth-like behavior of the magnetic properties. Accordingly, extremely large magnetic anisotropies have been found. Most notably, the magnetic anisotropy alternates as easy plane→easy axis→easy plane→easy axis when progressing from T = Mn → Fe → Co → Ni. This behavior can be understood based on a perturbation approach in an analytical, single-ion model. As a result, the calculated magnetic anisotropies show surprisingly good agreement with the experiment and capture the basic features observed for the different transition metals.

  6. Multiband Te p Based Superconductivity of Ta<sub>4sub>Pd>3sub>Te>16sub>

    SciTech Connect (OSTI)

    Singh, David J.

    2014-10-06

    We recently discovered that Ta<sub>4sub>Pd>3sub>Te>16 is a superconductor that has been suggested to be an unconventional superconductor near msub>agnetism. Here, we report electronic structure calculations showing that despite the layered crystal structure the material is an anisotropic three-dimensional (3D) metal. The Fermi surface contains prominent one-dimensional (1D) and two-dimensional (2D) features, including nested 1D sheets, a 2D cylindrical section, and a 3D sheet. Moreover, the electronic states that make up the Fermi surface are mostly derived from Te p states with small Ta d and Pd d contributions. This places the compound far from magnetic instabilities. The results are discussed in terms of multiband superconductivity.

  7. Low Surface Recombination Velocity in Solution-Grown CH<sub>3sub>NH>3sub>PbBr>3sub> Perovskite Single Crystal

    SciTech Connect (OSTI)

    Yang, Ye; Yan, Yong; Yang, Mengjin; Choi, Sukgeun; Zhu, Kai; Luter, Joseph M.; Beard, Matthew C.

    2015-08-06

    Organic-inorganic hybrid perovskites are attracting intense research effort due to their impressive performance in solar cells. While the carrier transport parameters such as mobility and bulk carrier lifetime shows sufficient characteristics, the surface recombination, which can have major impact on the solar cell performance, has not been studied. Here we measure surface recombination dynamics in CH<sub>3sub>NH>3sub>PbBr>3sub> perovskite single crystals using broadband transient reflectance spectroscopy. The surface recombination velocity is found to be 3.4±0.1 103 cm s-1, B2–3 orders of magnitude lower than that in many important unpassivated semiconductors employed in solar cells. Our result suggests that the planar grain size for the perovskite thin films should be larger thanB30 mm to avoid the influence of surface recombination on the effective carrier lifetime.

  8. Negative to positive magnetoresistance and magnetocaloric effect in Pr<sub>0.6sub>Er>0.4sub>Al>2sub>

    SciTech Connect (OSTI)

    Pathak, Arjun K.; Gschneidner, Jr., K. A.; Pecharsky, V. K.

    2014-10-13

    We report on the magnetic, magnetocaloric and magnetotransport properties of Pr<sub>0.6sub>Er>0.4sub>Al>2sub>. The title compound exhibits a large positive magnetoresistance (MR) for H ≥ 40 kOe and a small but non negligible negative MR for H ≤ 30 kOe. The maximum positive MR reaches 13% at H = 80 kOe. The magnetic entropy and adiabatic temperature changes as functions of temperature each show two anomalies: a broad dome-like maximum below 20 K and a relatively sharp peak at higher temperature. As a result, observed behaviors are unique among other binary and mixed lanthanide compounds.

  9. Origin of the spin reorientation transitions in (Fe<sub>1–xsub>Cox)>2sub>B alloys

    SciTech Connect (OSTI)

    Belashchenko, Kirill D.; Ke, Liqin; Däne, Markus; Benedict, Lorin X.; Lamichhane, Tej Nath; Taufour, Valentin; Jesche, Anton; Bud'ko, Sergey L.; Canfield, Paul C.; Antropov, Vladimir P.

    2015-02-13

    Low-temperature measurements of the magnetocrystalline anisotropy energy K in (Fe<sub>1–xsub>Cox)>2sub>B alloys are reported, and the origin of this anisotropy is elucidated using a first-principles electronic structure analysis. The calculated concentration dependence K(x) with a maximum near x = 0.3 and a minimum near x = 0.8 is in excellent agreement with experiment. This dependence is traced down to spin-orbital selection rules and the filling of electronic bands with increasing electronic concentration. In conclusion, at the optimal Co concentration, K depends strongly on the tetragonality and doubles under a modest 3% increase of the c/a ratio, suggesting that the magnetocrystalline anisotropy can be further enhanced using epitaxial or chemical strain.

  10. Density functional theory calculations of magnetocrystalline anisotropy energies for (Fe<sub>1-xsub>Cox)>2sub>B

    SciTech Connect (OSTI)

    Daene, Markus; Kim, Soo Kyung; Surh, Michael P.; Aberg, Daniel; Benedict, Lorin X.

    2015-06-15

    We present and discuss density functional theory calculations of magnetic properties of the family of ferromagnetic compounds, (Fe<sub>1-xsub>Cox)>2sub>B, focusing specifically on the magnetocrystalline anisotropy energy (MAE). Using periodic supercells of various sizes (up to 96 atoms), it is shown that the general qualitative features of the composition dependence of the MAE is in agreement with experimental findings, while our predicted magnitudes are larger than those of experiment. We find that the use of small supercells (6 and 12-atom) favors larger MAE values relative to a statistical sample of configurations constructed with 96-atom supercells. As a result, the effect of lattice relaxations is shown to be small. Calculations of the Curie temperature for this alloy are also presented.

  11. Oxygen vacancy migration in disordered Gd{sub 2}(Zr{sub x}Ti{sub 1{minus}x}){sub 2}O{sub 7}

    SciTech Connect (OSTI)

    Williford, R.E.; Weber, W.J.; Devanathan, R.; Gale, J.D.

    1999-07-01

    Oxygen vacancy formation and migration energies in the pyrochlores Gd{sub 2}(Zr{sub x}Ti{sub 1{minus}x}){sub 2}O{sub 7} were computed using atomistic energy minimization methods, with particular attention to the role of cation antisite disorder. The interatomic potentials recognize oxygens in distinct crystallographic sites (polarizations) as distinct species, and permit assessment of the directional anisotropy in vacancy migration energies. Oxygen vacancy migration is determined by O{sub 48f} {minus} O{sub 48f} transitions along the shortest edges of the TiO{sub 6} octahedra, in agreement with previous results. Oxygen vacancies migrate towards disorder to reduce local stresses. In contrast to previous work, the V{sub 08a} and V{sub O8a} + I{sub O8b} Frenkel defects are favored over the V{sub O48f} and V{sub O48f} + I{sub O8b} Frenkel. The transition V{sub O8a}{minus}> V{sub O48f} is energetically favored for the ordered structure, and activates the three dimensional O{sub 48f} {minus} O{sub 48f} vacancy migration network by filling empty 9a sites with 48f oxygens. Local regions of order and moderate disorder must both be present for optimum oxygen conductivity. High disorder retards vacancy migration.

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

    SciTech Connect (OSTI)

    Babo, Jean-Marie; Albrecht-Schmitt, Thomas E.

    2013-10-15

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

  13. Temperature-dependent local structural properties of redox Pt nanoparticles on TiO<sub>2sub> and ZrO<sub>2sub> supports

    SciTech Connect (OSTI)

    Jeong, Eun -Suk; Park, Chang -In; Jin, Zhenlan; Hwang, In -Hui; Son, Jae -Kwan; Kim, Mi -Young; Choi, Jae -Soon; Han, Sang -Wook

    2015-01-21

    This paper examined the local structural properties of Pt nanoparticles on SiO<sub>2sub>, TiO<sub>2sub>–SiO>2sub>, and ZrO<sub>2sub>–SiO>2sub> supports to better understand the impact of oxide-support type on the performance of Pt-based catalysts. In situ X-ray absorption fine structure (XAFS) measurements were taken for the Pt L3-edge in a temperature range from 300 to 700 K in He, H<sub>2sub>, and O<sub>2sub> gas environments. The XAFS measurements demonstrated that Pt atoms were highly dispersed on TiO<sub>2sub>–SiO>2sub> and ZrO<sub>2sub>–SiO>2sub> forming pancake-shaped nanoparticles, whereas Pt atoms formed larger particles of hemispherical shapes on SiO<sub>2sub> supports. Contrary to the SiO<sub>2sub> case, the coordination numbers for Pt, Ti, and Zr around Pt atoms on the TiO<sub>2sub>–SiO>2sub> and ZrO<sub>2sub>–SiO>2sub> supports were nearly constant from 300 to 700 K under the different gas environments. These results are consistent with the improvements in thermal stability of Pt nanoparticles achieved by incorporating TiO<sub>2sub> or ZrO<sub>2sub> on the surface of SiO<sub>2sub> supports. XAFS analysis further indicated that the enhanced dispersion and stability of Pt were a consequence of the strong metal support interaction via Pt–Ti and Pt–Zr bonds.

  14. Anionic ordering and thermal properties of FeF<sub>3sub>·3H<sub>2sub>O

    SciTech Connect (OSTI)

    Burbano, Mario; Duttine, Mathieu; Borkiewicz, Olaf; Wattiaux, Alain; Demourgues, Alain; Salanne, Mathieu; Groult, Henri; Dambournet, Damien

    2015-09-17

    In this study, iron fluoride tri-hydrate can be used to prepare iron hydroxyfluoride with the Hexagonal-Tungsten-Bronze (HTB) type structure, a potential cathode material for batteries. To understand this phase transformation, a structural description of β-FeF<sub>3sub>·3H<sub>2sub>O is first performed by means of DFT calculations and Mössbauer spectroscopy. The structure of this compound consists of infinite chains of [FeF<sub>6sub>]n and [FeF<sub>2sub>(H2O)<sub>4sub>]n>. The decomposition of FeF<sub>3sub>·3H<sub>2sub>O induces a collapse and condensation of these chains, which lead to the stabilization, under specific conditions, of a hydroxyfluoride network FeF<sub>3-xsub>(OH)x> with the HTB structure. The release of H<sub>2sub>O and HF was monitored by thermal analysis and physical characterizations during the decomposition of FeF<sub>3sub>·3H<sub>2sub>O. An average distribution of FeF<sub>4sub>(OH)>2sub> distorted octahedra in HTB-FeF<sub>3-xsub>(OH)x> was obtained subsequent to the thermal hydrolysis/olation of equatorial anionic positions involving F- and H<sub>2sub>O. This study provides a clear understanding of the structure and thermal properties of FeF<sub>3sub>·3H<sub>2sub>O, a material that can potentially bridge the recycling of pickling sludge from the steel industry by preparing battery electrodes.

  15. 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>.

  16. Complex conductance of ultrathin La<sub>2-xsub>SrxCuO>4sub> films and heterostructures

    SciTech Connect (OSTI)

    V. A. Gasparov; Bozovic, I.

    2015-10-23

    We used atomic-layer molecular beam epitaxy to synthesize bilayers of a cuprate metal (La<sub>1.55sub>Sr>0.45sub>CuO>4sub>) and a cuprate insulator (La<sub>2sub>CuO>4sub>), in which each layer is just one unit cells thick. We have studied the magnetic field and temperature dependence of the complex sheet conductance, σ(ω), of these films. Experiments have been carried out at frequencies between 2 and 50 MHz using the single-spiral coil technique. We found that: (i) the inductive response starts at ΔT = 3 K lower temperatures than Re σ(T), which in turn is characterized by a peak close to the transition, (ii) this shift is almost constant with magnetic field up to 14 mT; (iii) ΔT increases sharply up to 4 K at larger fields and becomes constant up to 8 T; (iv) the vortexdiffusion constant D(T) is not linear with T at low temperatures as in the case of free vortices, but is rather exponential due to pinning of vortex cores, and (v) the dynamic Berezinski–Kosterlitz–Thouless (BKT) transition temperature occurs at the point where Y=(l<sub>ω>/ξ+)2 = 1. As a result, our experimental results can be described well by the extended dynamic theory of the BKT transition and dynamics of bound vortex–antivortex pairs with short separation lengths.

  17. Searching for θ<sub>13sub> at Daya Bay

    SciTech Connect (OSTI)

    Giedt, Joel; Napolitano, James

    2015-06-08

    An experiment has been carried out by the Daya Bay Collaboration to measure the neutrino mixing angle θ<sub>13sub>. In addition, the grant has supported research into lattice field theory beyond the standard model.

  18. Covariance mapping of two-photon double core hole states in C <sub>2sub> H <sub>2sub> and C <sub>2sub> H <sub>6sub> produced by an x-ray free electron laser

    SciTech Connect (OSTI)

    Mucke, M; Zhaunerchyk, V; Frasinski, L J; Squibb, R J; Siano, M; Eland, J H D; Linusson, P; Salén, P; Meulen, P v d; Thomas, R D; Larsson, M; Foucar, L; Ullrich, J; Motomura, K; Mondal, S; Ueda, K; Osipov, T; Fang, L; Murphy, B F; Berrah, N; Bostedt, C; Bozek, J D; Schorb, S; Messerschmidt, M; Glownia, J M; Cryan, J P; Coffee, R N; Takahashi, O; Wada, S; Piancastelli, M N; Richter, R; Prince, K C; Feifel, R

    2015-07-01

    Few-photon ionization and relaxation processes in acetylene (C<sub>2sub>H>2sub>) and ethane (C<sub>2sub>H>6sub>) were investigated at the linac coherent light source x-ray free electron laser (FEL) at SLAC, Stanford using a highly efficient multi-particle correlation spectroscopy technique based on a magnetic bottle. The analysis method of covariance mapping has been applied and enhanced, allowing us to identify electron pairs associated with double core hole (DCH) production and competing multiple ionization processes including Auger decay sequences. The experimental technique and the analysis procedure are discussed in the light of earlier investigations of DCH studies carried out at the same FEL and at third generation synchrotron radiation sources. In particular, we demonstrate the capability of the covariance mapping technique to disentangle the formation of molecular DCH states which is barely feasible with conventional electron spectroscopy methods.

  19. Mo{sub 2}NiB{sub 2}-type (Gd, Tb, Dy){sub 2}Ni{sub 2.35}Si{sub 0.65} and La{sub 2}Ni{sub 3}-type (Dy, Ho){sub 2}Ni{sub 2.5}Si{sub 0.5} compounds: Crystal structure and magnetic properties

    SciTech Connect (OSTI)

    Morozkin, A.V.; Isnard, O.; Nirmala, R.; Malik, S.K.

    2015-05-15

    The crystal structure of new Mo{sub 2}NiB{sub 2}-type (Gd, Tb, Dy){sub 2}Ni{sub 2.35}Si{sub 0.65} (Immm, No. 71, oI10) and La{sub 2}Ni{sub 3}-type (Dy, Ho){sub 2}Ni{sub 2.5}Si{sub 0.5} (Cmce No. 64, oC20) compounds has been established using powder X-ray diffraction studies. Magnetization measurements show that the Mo{sub 2}NiB{sub 2}-type Gd{sub 2}Ni{sub 2.35}Si{sub 0.65} undergoes a ferromagnetic transition at ~66 K, whereas isostructural Tb{sub 2}Ni{sub 2.35}Si{sub 0.65} shows an antiferromagnetic transition at ~52 K and a field-induced metamagnetic transition at low temperatures. Neutron diffraction study shows that, in zero applied field, Tb{sub 2}Ni{sub 2.35}Si{sub 0.65} exhibits c-axis antiferromagnetic order with propagation vector K=[1/2, 0, 1/2] below its magnetic ordering temperature and Tb magnetic moment reaches a value of 8.32(5) μ{sub B} at 2 K. The La{sub 2}Ni{sub 3}-type Dy{sub 2}Ni{sub 2.5}Si{sub 0.5} exhibits ferromagnetic like transition at ~42 K with coexisting antiferromagnetic interactions and field induced metamagnetic transition below ~17 K. The magnetocaloric effect of Gd{sub 2}Ni{sub 2.35}Si{sub 0.65}, Tb{sub 2}Ni{sub 2.35}Si{sub 0.65} and Dy{sub 2}Ni{sub 2.5}Si{sub 0.5} is calculated in terms of isothermal magnetic entropy change and it reaches a maximum value of −14.3 J/kg K, −5.3 J/kg K and −10.3 J/kg K for a field change of 50 kOe near 66 K, 52 K and 42 K, respectively. Low temperature magnetic ordering with enhanced anisotropic effects in Tb{sub 2}Ni{sub 2.35}Si{sub 0.65} and Dy{sub 2}Ni{sub 2.35}Si{sub 0.65} is accompanied by a positive magnetocaloric effect with isothermal magnetic entropy changes of +12.8 J/kg K and ~+9.9 J/kg K, respectively at 7 K for a field change of 50 kOe. - Graphical abstract: The (Gd, Tb, Dy){sub 2}Ni{sub 2.35}Si{sub 0.65} supplement the series of Mo{sub 2}NiB{sub 2}-type rare earth compounds, whereas the (Dy, Ho){sub 2}Ni{sub 2.5}Si{sub 0.5} supplement the series of La{sub 2}Ni{sub 3}-type rare

  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

  1. Luminescence of Ce 3+ -Doped MB<sub>2sub>Si>2sub>O>8sub> (M = Sr, Ba): A Deeper Insight into the Effects of Electronic Structure and Stokes Shift

    SciTech Connect (OSTI)

    Peng, Qi; Liu, Chunmeng; Hou, Dejian; Zhou, Weijie; Ma, Chong-Geng; Liu, Guokui; Brik, Mikhail G.; Tao, Ye; Liang, Hongbin

    2015-12-18

    A series of Sr <sub>1 -2x sub>Ce<sub>xNaxB>2sub>Si>2sub>O>8sub> and Ba <sub>1-2x sub>Ce<sub>xKxB>2sub>Si>2sub>O>8sub> (x = 0.005, 0.01, 0.02, 0.04, 0.06, 0.08) samples were synthesized by a high-temperature solid-state reaction. The low temperature excitation, emission, and fluorescence decay spectra together demonstrated that all spectral bands arise from the Ce 3+ ions located at only one kind of lattice site. The first-principles calculations of the structural and electronic properties of pure and Ce 3+sub>2sub>Si>2sub>O>8sub> (M = Sr, Ba) were performed, and the obtained results were used for understanding the structural changes after doping and identification of the observed position of the host absorption bands. The measured 4f-5d excitation and emission spectra of Ce3+ ions doped in MB<sub>2sub>Si>2sub>O>8sub> were analyzed and simulated in the framework of the crystal-field (CF) theory. The electron-phonon coupling effect generally ignored in most studies published so far was also taken into account by applying the configurational coordinate model. The validity of such a combined insight into the 5d CF energy level positions and the Stokes shift has been confirmed by analyzing the dependence of the Ce 3+

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

    SciTech Connect (OSTI)

    Abdel-Baset, A. M.; Rashad, M.; Moharram, A. H.

    2013-12-16

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

  3. 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)

  4. Structures and phases transition in hexylenediammonium pentachlorobismuthate (III) [NH{sub 3}(CH{sub 2}){sub 6}NH{sub 3}]BiCl{sub 5} crystal

    SciTech Connect (OSTI)

    Ouasri, A.; Jeghnou, H.; Rhandour, A.; Roussel, P.

    2013-04-15

    The crystal structure of [NH{sub 3}(CH{sub 2}){sub 6}NH{sub 3}]BiCl{sub 5} was determined at: 223 K [P2{sub 1}2{sub 1}2{sub 1} (Z=4), a=7.788(1), b=13.886(2), c=13.972(2) Å], 308 K [P2{sub 1}/n (Z=8), a=19.972(3), b=7.772(2), c=20.166(3) Å, β=92.32(1)°] and 378 K [Pnma (Z=4), a=13911(2), b=7.834(7), c=14.457(2) Å]. It was consisted of isolated (BiCl{sub 5}{sup 2−}){sub n} anionic chains composed by distorted octahedra BiCl{sub 6}{sup 3−} sharing two corners and {sup +}NH{sub 3}(CH{sub 2}){sub 6}NH{sub 3}{sup +} cations placed in the free cavities between anionic chains. In the β phase, there are two crystallographically inequivalent cations and two one-dimensional anionic chains (BiCl{sub 5}{sup 2−}){sub n} in which BiCl{sub 6}{sup 3−} octahedra was doubly tilted and simply tilted. Two structural phase transitions at low and high temperatures α (P2{sub 1}2{sub 1}2{sub 1}, 223 K)↔β (P2{sub 1}/n, 308 K)↔γ (Pnma, 373 K) are observed and discussed. It was crystallographically showed that both anionic and cationic entities contribute to phase transitions mechanisms. The BiCl{sub 6}{sup 3−} octahedra were found to posses significant distortions on decreasing temperature and became more distorted in α (223 K) phase. It is argued that these deformations are caused by weak to moderate N--H···Cl hydrogen bonding. - Graphical abstract: Projection of the crystal structure of [NH{sub 3}(CH{sub 2}){sub 6}NH{sub 3}]BiCl{sub 5} down the a axis at 208 K. Highlights: ► The crystal shows two phase transitions: α(223 K)↔β(308 K)↔γ(373 K). ► A discontinuous transition may be occurred between α and β phases. ► The α↔β and β↔γ phase transitions are of first order. ► Both anionic and cationic motions contribute to phase transition mechanisms. ► The BiCl{sub 6}{sup 3−} octahedra showed significant distortions on decreasing temperature.

  5. Synthesis and structure of R{sub 2}[UO{sub 2}(NO{sub 3}){sub 2}(NCS){sub 2}] (R = Rb or Cs)

    SciTech Connect (OSTI)

    Serezhkin, V. N.; Peresypkina, E. V.; Grigor’eva, V. A.; Virovets, A. V.; Serezhkina, L. B.

    2015-01-15

    Crystals Rb{sub 2}[UO{sub 2}(NO{sub 3}){sub 2}(NCS){sub 2}] (I) and Cs{sub 2}[UO{sub 2}(NO{sub 3}){sub 2}(NCS){sub 2}] (II) have been synthesized and studied by IR spectroscopy and X-ray diffraction. Crystals I are monoclinic, with the following parameters: a = 12.2118(5) Å, b = 10.2545(3) Å, c = 11.8754(4) Å, β = 110.287(1)°, sp. gr. C2/c, Z = 4, and R = 0.0523. Crystals II are orthorhombic, with a = 13.7309(3) Å, b = 10.5749(2) Å, c = 10.1891(2) Å, sp. gr. Pnma, Z = 4, and R = 0.0411. The basic structural units of crystals I and II are one-core complexes [UO{sub 2}(NO{sub 3}){sub 2}(NCS){sub 2}]{sup 2−}, which belong to the crystallochemical group cis-AB{sub 2}{sup 01}M{sub 2}{sup 1} (A = UO{sub 2}{sup 2+}, B{sup 01} = NO{sub 3}{sup −}, M{sup 1} = NCS{sup −}), which are combined into a framework via electrostatic interactions with ions of alkaline metals R (R = Rb or Cs). The structural features of crystals I and II, which condition the formation of [UO{sub 2}(NO{sub 3}){sub 2}(NCS){sub 2}]{sup 2−} complexes with a cis rather than a trans position of isothiocyanate ions in the coordination sphere of uranyl ions, are discussed.

  6. Synthesis of g-C{sub 3}N{sub 4}/Ag{sub 3}PO{sub 4} heterojunction with enhanced photocatalytic performance

    SciTech Connect (OSTI)

    He, Peizhi; Song, Limin; Zhang, Shujuan; Wu, Xiaoqing; Wei, Qingwu

    2014-03-01

    Graphical abstract: g-C{sub 3}N{sub 4}/Ag{sub 3}PO{sub 4} heterojunction photocatalyst with visible-light response was prepared by a facile coprecipitation method. The results show that g-C{sub 3}N{sub 4}/Ag{sub 3}PO{sub 4} possesses a much higher activity for the decomposition of RhB than that of the pure Ag{sub 3}PO{sub 4} particles. The most mechanism is that g-C{sub 3}N{sub 4}/Ag{sub 3}PO{sub 4} heterojunction photocatalyst can efficiently separate the photogenerated electronhole pairs, enhancing the photocatalytic activity of g-C{sub 3}N{sub 4}/Ag{sub 3}PO{sub 4} composites. - Highlights: g-C{sub 3}N{sub 4}/Ag{sub 3}PO{sub 4} heterojunction showed much higher activity than that of Ag{sub 3}PO{sub 4}. The high activity could be attributed to g-C{sub 3}N{sub 4} for modifying Ag{sub 3}PO{sub 4}. More OH radicals may be significant reason to improve Ag{sub 3}PO{sub 4} activity. - Abstract: g-C{sub 3}N{sub 4}/Ag{sub 3}PO{sub 4} heterojunction photocatalyst with visible-light response was prepared by a facile coprecipitation method. The photocatalysts were characterized by X-ray powder diffraction, transmission electron microscopy, UVvis absorption spectroscopy and Fourier transform infrared spectroscopy. The photocatalytic activities of the obtained samples were tested by using Rhodamine B (RhB) as the degradation target under visible light irradiation. g-C{sub 3}N{sub 4}/Ag{sub 3}PO{sub 4} decomposed RhB more effectively than the pure Ag{sub 3}PO{sub 4} particles did, and 2 wt.% g-C{sub 3}N{sub 4} had the highest activity. Furthermore, 2 wt.% g-C{sub 3}N{sub 4}/Ag{sub 3}PO{sub 4} degraded high-concentration RhB more potently than unmodified Ag{sub 3}PO{sub 4} did, probably because g-C{sub 3}N{sub 4}/Ag{sub 3}PO{sub 4} heterojunction photocatalyst enhanced the photocatalytic activity by efficiently separating the photogenerated electronhole pairs.

  7. AOI [3] High-Temperature Nano-Derived Micro-H<sub>2sub> and - H<sub>2sub>S Sensors

    SciTech Connect (OSTI)

    Sabolsky, Edward M.

    2014-08-01

    The emissions from coal-fired power plants remain a significant concern for air quality. This environmental challenge must be overcome by controlling the emission of sulfur dioxide (SO<sub>2sub>) and hydrogen sulfide (H<sub>2sub>S) throughout the entire coal combustion process. One of the processes which could specifically benefit from robust, low cost, and high temperature compatible gas sensors is the coal gasification process which converts coal and/or biomass into syngas. Hydrogen (H<sub>2sub>), carbon monoxide (CO) and sulfur compounds make up 33%, 43% and 2% of syngas, respectively. Therefore, development of a high temperature (>500°C) chemical sensor for in-situ monitoring of H<sub>2sub>, H<sub>2sub>S and SO2<sub>2sub> levels during coal gasification is strongly desired. The selective detection of SO<sub>2sub>/H>2sub>S in the presence of H<sub>2sub>, is a formidable task for a sensor designer. In order to ensure effective operation of these chemical sensors, the sensor system must inexpensively function within harsh temperature and chemical environment. Currently available sensing approaches, which are based on gas chromatography, electrochemistry, and IR-spectroscopy, do not satisfy the required cost and performance targets. This work focused on the development microsensors that can be applied to this application. In order to develop the high- temperature compatible microsensor, this work addressed various issues related to sensor stability, selectivity, and miniaturization. In the research project entitled “High-Temperature Nano-Derived Micro-H<sub>2sub> and -H<sub>2sub>S Sensors”, the team worked to develop micro-scale, chemical sensors and sensor arrays composed of nano-derived, metal-oxide composite materials to detect gases like H<sub>2sub>, SO<sub>2sub>, and H<sub>2sub>S within high-temperature environments (>500°C). The research was completed in collaboration with NexTech Materials, Ltd. (Lewis Center, Ohio). Nex

  8. Methods of Si based ceramic components volatilization control in a gas turbine engine

    DOE Patents [OSTI]

    Garcia-Crespo, Andres Jose; Delvaux, John; Dion Ouellet, Noemie

    2016-09-06

    A method of controlling volatilization of silicon based components in a gas turbine engine includes measuring, estimating and/or predicting a variable related to operation of the gas turbine engine; correlating the variable to determine an amount of silicon to control volatilization of the silicon based components in the gas turbine engine; and injecting silicon into the gas turbine engine to control volatilization of the silicon based components. A gas turbine with a compressor, combustion system, turbine section and silicon injection system may be controlled by a controller that implements the control method.

  9. [Ni(H{sub 2}O){sub 4}]{sub 3}[U(OH,H{sub 2}O)(UO{sub 2}){sub 8}O{sub 12}(OH){sub 3}], crystal structure and comparison with uranium minerals with U{sub 3}O{sub 8}-type sheets

    SciTech Connect (OSTI)

    Rivenet, Murielle; Vigier, Nicolas; Roussel, Pascal; Abraham, Francis

    2009-04-15

    The new U(VI) compound, [Ni(H{sub 2}O){sub 4}]{sub 3}[U(OH,H{sub 2}O)(UO{sub 2}){sub 8}O{sub 12}(OH){sub 3}], was synthesized by mild hydrothermal reaction of uranyl and nickel nitrates. The crystal-structure was solved in the P-1 space group, a=8.627(2), b=10.566(2), c=12.091(4) A and alpha=110.59(1), beta=102.96(2), gamma=105.50(1){sup o}, R=0.0539 and wR=0.0464 from 3441 unique observed reflections and 151 parameters. The structure of the title compound is built from sheets of uranium polyhedra closely related to that in beta-U{sub 3}O{sub 8}. Within the sheets [(UO{sub 2})(OH)O{sub 4}] pentagonal bipyramids share equatorial edges to form chains, which are cross-linked by [(UO{sub 2})O{sub 4}] and [UO{sub 4}(H{sub 2}O)(OH)] square bipyramids and through hydroxyl groups shared between [(UO{sub 2})(OH)O{sub 4}] pentagonal bipyramids. The sheets are pillared by sharing the apical oxygen atoms of the [(UO{sub 2})(OH)O{sub 4}] pentagonal bipyramids with the oxygen atoms of [NiO{sub 2}(H{sub 2}O){sub 4}] octahedral units. That builds a three-dimensional framework with water molecules pointing towards the channels. On heating [Ni(H{sub 2}O){sub 4}]{sub 3}[U(OH,H{sub 2}O)(UO{sub 2}){sub 8}O{sub 12}(OH){sub 3}] decomposes into NiU{sub 3}O{sub 10}. - Graphical abstract: The framework of [Ni(H{sub 2}O){sub 4}]{sub 3}[U(OH,H{sub 2}O)(UO{sub 2}){sub 8}O{sub 12}(OH){sub 3}] built from uranium polyhedra sheets pillared by Ni-centered octahedra.

  10. Magnetism and superconductivity in U?Pt<sub>xRh>(1x)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>(1x)sub>C?, studied through measurements of resistivity, specific heat, and magnetic susceptibility. The Nel 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.