National Library of Energy BETA

Sample records for fino-chen hongyou lu

  1. Submitting Organization Hongyou Fan Sandia National Laboratories

    U.S. Department of Energy (DOE) all webpages (Extended Search)

     2007 R&D 100 Award Entry Form  Submitting Organization Hongyou Fan Sandia National Laboratories Advanced Materials Laboratory 1001 University Boulevard SE Albuquerque, NM 87106, USA 505-272-7128 (phone) 505-272-7336 (fax) hfan@sandia.gov AFFIRMATION: I affirm that all information submitted as a part of, or supplemental to, this entry is a fair and accurate represen- tation of this product. Submitter's signature_______________________________ Earl Stromberg Lockheed Martin

  2. Wenquan Lu | Argonne National Laboratory

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Wenquan Lu Principal Chemical Engineer Telephone (630) 252-3704 E-mail wenquan.lu@nal.gov Projects Engineering Research

  3. Xun Lu | Photosynthetic Antenna Research Center

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Xun Lu Xun Lu Xun Lu Postdoctoral Research Associate E-mail: lux1@ornl.gov Website: Oak Ridge National Laboratory Postdoctoral Associates

  4. Yue Lu | Photosynthetic Antenna Research Center

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Yue Lu Yue Lu Yue Lu Graduate Student E-mail: luyue@wustl.edu Website: Washington University in St. Louis Graduate Students

  5. Lu Zhang | Argonne National Laboratory

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Lu Zhang Assistant Materials Scientist Telephone (630) 252-5670 E-mail luzhang@anl.gov Projects Advanced Electrolyte

  6. Jun Lu | Argonne National Laboratory

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Jun Lu Chemist Telephone (630) 252-4485 E-mail junlu@anl.gov Projects Technology Development

  7. Jun Lu poster presentation 2012

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    ... Nanoparticles: Application for Rechargeable Li-air Battery" Energy and Environ. Sci., Submitted. Jun Lu, et. al, "Synthesis of Porous Carbon Supported PdPdO Nanoparticles by ...

  8. Dr. Chenyang Lu | Photosynthetic Antenna Research Center

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Chenyang Lu November 8, 2013 Dr. Chenyang Lu Smart Building with Wireless Sensor Networks Published: November 8, 2013 As part of the Events & Topics in Bioenergy Series, Dr....

  9. Xiaonan Lu | Argonne National Laboratory

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Xiaonan Lu (S'12-M'13) received the B.E. and Ph.D. degrees in electrical engineering from Tsinghua University, Beijing, China, in 2008 and 2013, respectively. From 2010 to 2011, he ...

  10. Submitting Organization Hongyou Fan Sandia National Laboratories

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    ... sensor windows, optical sensordetector, etc.) is used in wethumid or cold environments. ... R&D 100 Award Entry Form &24;&24; exhibit an absorbance at 519 nm that corresponds to the ...

  11. Postdoctoral Research Awards Annual Research Meeting: Jun Lu...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Jun Lu Postdoctoral Research Awards Annual Research Meeting: Jun Lu Poster Presentation at 2012 EERE Annual Research Meeting, Postdoctoral Research Awards, from the U.S. Department ...

  12. LU

    Office of Legacy Management (LM)

    ... Bonds and insurance policies (1) required by law andor (2) approved or required by the ... which the Contractor is required by law to pay, except those which are imposed upon ...

  13. jShyLU Scalable Hybrid Preconditioner and Solver

    Energy Science and Technology Software Center (OSTI)

    2012-09-11

    ShyLU is numerical software to solve sparse linear systems of equations. ShyLU uses a hybrid direct-iterative Schur complement method, and may be used either as a preconditioner or as a solver. ShyLU is parallel and optimized for a single compute Solver node. ShyLU will be a package in the Trilinos software framework.

  14. Lu an Group | Open Energy Information

    Open Energy Information (Open El) [EERE & EIA]

    Name: Lu'an Group Place: Changzhi, Shanxi Province, China Zip: 46204 Product: A Chinese chemical and energy enterprise specialised in coal. Coordinates: 36.468231, 112.82312...

  15. MueLu Multigrid Preconditioning Package

    Energy Science and Technology Software Center (OSTI)

    2012-09-11

    MueLu is intended for the research and development of multigrid algorithms used in the solution of sparse linear systems arising from systems of partial differential equations. The software provides multigrid source code, test programs, and short example programs to demonstrate the various interfaces for creating, accessing, and applying the solvers. MueLu currently provides an implementation of smoothed aggregation algebraic multigrid method and interfaces to many commonly used smoothers. However, the software is intended to bemore » extensible, and new methods can be incorporated easily. MueLu also allows for advanced usage, such as combining multiple methods and segregated solves. The library supports point and block access to matrix data. All algorithms and methods in MueLu have been or will be published in the open scientific literature.« less

  16. Method for preparing high specific activity 177Lu

    DOE Patents [OSTI]

    Mirzadeh, Saed; Du, Miting; Beets, Arnold L.; Knapp, Jr., Furn F.

    2004-04-06

    A method of separating lutetium from a solution containing Lu and Yb, particularly reactor-produced .sup.177 Lu and .sup.177 Yb, includes the steps of: providing a chromatographic separation apparatus containing LN resin; loading the apparatus with a solution containing Lu and Yb; and eluting the apparatus to chromatographically separate the Lu and the Yb in order to produce high-specific-activity .sup.177 Yb.

  17. Parallel LU Factorization on GPU cluster

    SciTech Connect (OSTI)

    D'Azevedo, Ed F; Hill, Judith C

    2012-01-01

    This paper describes our progress in developing software for performing parallel LU factorization of a large dense matrix on a GPU cluster. Three approaches, with increasing software complexity, are considered: (i) a naive 'thunking' approach that links the existing parallel ScaLAPACK software library with cuBLAS through a software emulation layer; (ii) a more intrusive magmaBLAS implementation integrated into the LU solver in the High-Performance Linpack software; and (iii) a left-looking out-of-core algorithm for solving problems that are larger than the available memory on GPU devices. Comparison of the performance gains versus the current ScaLAPACK PZGETRF are provided.

  18. Lu Gan | Center for Bio-Inspired Solar Fuel Production

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Principal Investigators Postdoctoral Fellows Center researchers Graduate Students Undergraduate Students All Bisfuel Center Personnel Barun Das Bhupesh Goyal Jackson Megiatto Lu...

  19. Hongyou Fan Chosen for Prestigious Lecture on Creating Nanomaterials

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    ... the development of new synthesis methods and self-assembly processes to fabricate multifunctional nanomaterials for applications in nanoelectronics, photonics, and energy storage. ...

  20. YingYing Lu > Postdoc - Stanford University > Center Alumni ...

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    YingYing Lu Postdoc - Stanford University yl854@stanford.edu Formerly a graduate student with the Archer Group, she received her PhD in 2014. She is now a postdoc in Materials...

  1. Postdoctoral Research Awards Annual Research Meeting: Jun Lu | Department

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    of Energy Jun Lu Postdoctoral Research Awards Annual Research Meeting: Jun Lu Poster Presentation at 2012 EERE Annual Research Meeting, Postdoctoral Research Awards, from the U.S. Department of Energy. luj_2012poster.pdf (495.97 KB) More Documents & Publications In Situ Characterizations of New Battery Materials and the Studies of High Energy Density Li-Air Batteries FY 2011 Annual Progress Report for Energy Storage R&D Vehicle Technologies Office Merit Review 2016: Efficient

  2. An overview of SuperLU: Algorithms, implementation, and userinterface

    SciTech Connect (OSTI)

    Li, Xiaoye S.

    2003-09-30

    We give an overview of the algorithms, design philosophy,and implementation techniques in the software SuperLU, for solving sparseunsymmetric linear systems. In particular, we highlight the differencesbetween the sequential SuperLU (including its multithreaded extension)and parallel SuperLU_DIST. These include the numerical pivoting strategy,the ordering strategy for preserving sparsity, the ordering in which theupdating tasks are performed, the numerical kernel, and theparallelization strategy. Because of the scalability concern, theparallel code is drastically different from the sequential one. Wedescribe the user interfaces ofthe libraries, and illustrate how to usethe libraries most efficiently depending on some matrix characteristics.Finally, we give some examples of how the solver has been used inlarge-scale scientific applications, and the performance.

  3. Performance analysis of parallel supernodal sparse LU factorization

    SciTech Connect (OSTI)

    Grigori, Laura; Li, Xiaoye S.

    2004-02-05

    We investigate performance characteristics for the LU factorization of large matrices with various sparsity patterns. We consider supernodal right-looking parallel factorization on a bi-dimensional grid of processors, making use of static pivoting. We develop a performance model and we validate it using the implementation in SuperLU-DIST, the real matrices and the IBM Power3 machine at NERSC. We use this model to obtain performance bounds on parallel computers, to perform scalability analysis and to identify performance bottlenecks. We also discuss the role of load balance and data distribution in this approach.

  4. Automatic Blocking Of QR and LU Factorizations for Locality

    SciTech Connect (OSTI)

    Yi, Q; Kennedy, K; You, H; Seymour, K; Dongarra, J

    2004-03-26

    QR and LU factorizations for dense matrices are important linear algebra computations that are widely used in scientific applications. To efficiently perform these computations on modern computers, the factorization algorithms need to be blocked when operating on large matrices to effectively exploit the deep cache hierarchy prevalent in today's computer memory systems. Because both QR (based on Householder transformations) and LU factorization algorithms contain complex loop structures, few compilers can fully automate the blocking of these algorithms. Though linear algebra libraries such as LAPACK provides manually blocked implementations of these algorithms, by automatically generating blocked versions of the computations, more benefit can be gained such as automatic adaptation of different blocking strategies. This paper demonstrates how to apply an aggressive loop transformation technique, dependence hoisting, to produce efficient blockings for both QR and LU with partial pivoting. We present different blocking strategies that can be generated by our optimizer and compare the performance of auto-blocked versions with manually tuned versions in LAPACK, both using reference BLAS, ATLAS BLAS and native BLAS specially tuned for the underlying machine architectures.

  5. Negative thermal expansion and anomalies of heat capacity of LuB50 at low temperatures

    DOE PAGES-Beta [OSTI]

    Novikov, V. V.; Zhemoedov, N. A.; Matovnikov, A. V.; Mitroshenkov, N. V.; Kuznetsov, S. V.; Bud'ko, S. L.

    2015-07-20

    Heat capacity and thermal expansion of LuB50 boride were experimentally studied in the 2–300 K temperature range. The data reveal an anomalous contribution to the heat capacity at low temperatures. The value of this contribution is proportional to the first degree of temperature. It was identified that this anomaly in heat capacity is caused by the effect of disorder in the LuB50 crystalline structure and it can be described in the soft atomic potential model (SAP). The parameters of the approximation were determined. The temperature dependence of LuB50 heat capacity in the whole temperature range was approximated by the summore » of SAP contribution, Debye and two Einstein components. The parameters of SAP contribution for LuB50 were compared to the corresponding values for LuB66, which was studied earlier. Negative thermal expansion at low temperatures was experimentally observed for LuB50. The analysis of the experimental temperature dependence for the Gruneisen parameter of LuB50 suggested that the low-frequency oscillations, described in SAP mode, are responsible for the negative thermal expansion. As a result, the glasslike character of the behavior of LuB50 thermal characteristics at low temperatures was confirmed.« less

  6. Negative thermal expansion and anomalies of heat capacity of LuB 50 at low temperatures

    DOE PAGES-Beta [OSTI]

    Novikov, V. V.; Zhemoedov, N. A.; Matovnikov, A. V.; Mitroshenkov, N. V.; Kuznetsov, S. V.; Bud'ko, S. L.

    2015-07-20

    Heat capacity and thermal expansion of LuB50 boride were experimentally studied in the 2300 K temperature range. The data reveal an anomalous contribution to the heat capacity at low temperatures. The value of this contribution is proportional to the first degree of temperature. It was identified that this anomaly in heat capacity is caused by the effect of disorder in the LuB50crystalline structure and it can be described in the soft atomic potential model (SAP). The parameters of the approximation were determined. The temperature dependence of LuB50 heat capacity in the whole temperature range was approximated by the sum ofmoreSAP contribution, Debye and two Einstein components. The parameters of SAP contribution for LuB50 were compared to the corresponding values for LuB66, which was studied earlier. Negative thermal expansion at low temperatures was experimentally observed for LuB50. The analysis of the experimental temperature dependence for the Gruneisen parameter of LuB50 suggested that the low-frequency oscillations, described in SAP mode, are responsible for the negative thermal expansion. Thus, the glasslike character of the behavior of LuB50 thermal characteristics at low temperatures was confirmed.less

  7. Intrinsic magnetic properties of hexagonal LuFeO{sub 3} and the effects of nonstoichiometry

    SciTech Connect (OSTI)

    Moyer, Jarrett A. E-mail: schlom@cornell.edu; Schiffer, Peter; Misra, Rajiv; Mundy, Julia A.; Brooks, Charles M.; Heron, John T.; Muller, David A.; Schlom, Darrell G. E-mail: schlom@cornell.edu

    2014-01-01

    We used oxide molecular-beam epitaxy in a composition-spread geometry to deposit hexagonal LuFeO{sub 3} (h-LuFeO{sub 3}) thin films with a monotonic variation in the Lu/Fe cation ratio, creating a mosaic of samples that ranged from iron rich to lutetium rich. We characterized the effects of composition variation with x-ray diffraction, atomic force microscopy, scanning transmission electron microscopy, and superconducting quantum interference device magnetometry. After identifying growth conditions leading to stoichiometric film growth, an additional sample was grown with a rotating sample stage. From this stoichiometric sample, we determined stoichiometric h-LuFeO{sub 3} to have a T{sub N} = 147 K and M{sub s} = 0.018 ?{sub B}/Fe.

  8. Langston University - High Energy Physics (LU-HEP)

    SciTech Connect (OSTI)

    Snow, Dr., Joel

    2012-08-13

    This final report is presented by Langston University (LU) for the project entitled "Langston University High Energy Physics" (LUHEP) under the direction of principal investigator (PI) and project director Professor Joel Snow. The project encompassed high energy physics research performed at hadron colliders. The PI is a collaborator on the DZero experiment at Fermi National Accelerator Laboratory in Batavia, IL, USA and the ATLAS experiment at CERN in Geneva, Switzerland and was during the entire project period from April 1, 1999 until May 14, 2012. Both experiments seek to understand the fundamental constituents of the physical universe and the forces that govern their interactions. In 1999 as member of the Online Systems group for Run 2 the PI developed a cross-platform Python-based, Graphical User Interface (GUI) application for monitoring and control of EPICS based devices for control room use. This served as a model for other developers to enhance and build on for further monitoring and control tasks written in Python. Subsequently the PI created and developed a cross-platform C++ GUI utilizing a networked client-server paradigm and based on ROOT, the object oriented analysis framework from CERN. The GUI served as a user interface to the Examine tasks running in the D\\O\\ control room which monitored the status and integrity of data taking for Run 2. The PI developed the histogram server/control interface to the GUI client for the EXAMINE processes. The histogram server was built from the ROOT framework and was integrated into the D\\O\\ framework used for online monitoring programs and offline analysis. The PI developed the first implementation of displaying histograms dynamically generated by ROOT in a Web Browser. The PI's work resulted in several talks and papers at international conferences and workshops. The PI established computing software infrastructure at LU and U. Oklahoma (OU) to do analysis of DZero production data and produce simulation data

  9. Precision dilatometry of Nb, Ta, and Lu tritides

    SciTech Connect (OSTI)

    Schober, T.; Dieker, C.; Lasser, R.; Trinkaus, H.

    1989-07-15

    Applying buoyancy dilatometry at room temperature toNbT/sub 0.0253/ and strain-gauge dilatometry at roomtemperature and 78 K to TaT/sub 0.0744/ andLuT/sub 0.15/, respectively, we have measured the swelling ofthese tritides due to the transmutation of T to /sup 3/He in the firsttwo years after T charging. For all three tritides almost linear swelling isfound, indicating approximately constant /sup 3/He densities inbubbles. The corresponding values for the volume requirement of a/sup 3/He atom in a bubble are around 8 A/sup 3/.Associated pressure values are derived with the aid of an equation of state for/sup 3/He adapted to recent high-pressure x-ray-diffractionmeasurements on solid /sup 4/He. With increasing /sup 3/Heconcentration the pressure seems to converge to about 0.2 of the shear modulusof the metal, in accordance with recent theoretical results concerning thethreshold pressure for dislocation-loop punching by bubbles.

  10. Raman and structural characterization of LuAlO{sub 3}

    SciTech Connect (OSTI)

    Casu, Alberto; Ricci, Pier Carlo

    2011-11-15

    The structural and vibrational properties of lutetium orthoaluminate perovskite (LuAlO{sub 3}) were investigated by means of Raman spectroscopy and EXAFS measurements. The analysis of Raman spectra taken in four different polarized configurations along the principal axes at 20 K and room temperature conditions permits to assign the principal vibrational modes in LuAP single crystals and to confirm the belonging to the D{sub 2h}{sup 16} space group. EXAFS measurements were performed at room temperature in order to obtain local structural informations on the first and next nearest neighbors around lutetium absorptions sites. Unit cell parameters and bond lengths were determined by the analysis of the EXAFS spectroscopy at the L{sub 3} absorption edge of lutetium. The informations thus gathered on this compound can offer a useful addition in the framework of a full structural characterization of LuAlO{sub 3}. - Graphical abstract: Raman active mode in LuAP crystal. Highlights: > Structural characterization of LuAlO{sub 3} is obtained by Raman and EXAFS spectroscopies. > Vibrational modes, temperature-dependent variations studied by Raman spectroscopy. > Cell parameters and local characterization obtained by EXAFS spectroscopy.

  11. Negative thermal expansion and anomalies of heat capacity of LuB50 at low temperatures

    SciTech Connect (OSTI)

    Novikov, V. V.; Zhemoedov, N. A.; Matovnikov, A. V.; Mitroshenkov, N. V.; Kuznetsov, S. V.; Bud'ko, S. L.

    2015-07-20

    Heat capacity and thermal expansion of LuB50 boride were experimentally studied in the 2–300 K temperature range. The data reveal an anomalous contribution to the heat capacity at low temperatures. The value of this contribution is proportional to the first degree of temperature. It was identified that this anomaly in heat capacity is caused by the effect of disorder in the LuB50 crystalline structure and it can be described in the soft atomic potential model (SAP). The parameters of the approximation were determined. The temperature dependence of LuB50 heat capacity in the whole temperature range was approximated by the sum of SAP contribution, Debye and two Einstein components. The parameters of SAP contribution for LuB50 were compared to the corresponding values for LuB66, which was studied earlier. Negative thermal expansion at low temperatures was experimentally observed for LuB50. The analysis of the experimental temperature dependence for the Gruneisen parameter of LuB50 suggested that the low-frequency oscillations, described in SAP mode, are responsible for the negative thermal expansion. As a result, the glasslike character of the behavior of LuB50 thermal characteristics at low temperatures was confirmed.

  12. Jahn-Teller versus quantum effects in the spin-orbital material LuVO3

    DOE PAGES-Beta [OSTI]

    Skoulatos, M.; Toth, S.; Roessli, B.; Enderle, M.; Habicht, K.; Sheptyakov, D.; Cervellino, A.; Freeman, P. G.; Reehuis, M.; Stunault, A.; et al

    2015-04-13

    In this article, we report on combined neutron and resonant x-ray scattering results, identifying the nature of the spin-orbital ground state and magnetic excitations in LuVO3 as driven by the orbital parameter. In particular, we distinguish between models based on orbital-Peierls dimerization, taken as a signature of quantum effects in orbitals, and Jahn-Teller distortions, in favor of the latter. In order to solve this long-standing puzzle, polarized neutron beams were employed as a prerequisite in order to solve details of the magnetic structure, which allowed quantitative intensity analysis of extended magnetic-excitation data sets. The results of this detailed study enabledmore » us to draw definite conclusions about the classical versus quantum behavior of orbitals in this system and to discard the previous claims about quantum effects dominating the orbital physics of LuVO3 and similar systems.« less

  13. Kinetic control of structural and magnetic states in LuBaCo4O7.

    SciTech Connect (OSTI)

    Avci, S.; Chmaissem, O.; Zheng, H.; Huq, A.; Khalyavin, D.; Stephens, P.; Suchomel, M.; Manuel, P.; Mitchell, J.

    2012-01-01

    The RBaCo{sub 4}O{sub 7} (R = Ca, Y, Tb, Ho, Tm, Yb, Lu) compounds provide a novel topology for studying the competition between triangular geometry and magnetic order. Here, we report the structural and magnetic behavior of the Lu member of this series via neutron and synchrotron x-ray diffraction, magnetization, and resistivity measurements. We determined sequential phase transitions and a strong competition between a stable and a metastable low-temperature state that critically depends on controlled cooling rates and the associated heat removal kinetics. No evidence for long-range ordered magnetism was detected by neutron diffraction at any temperature. However, very slow spin dynamics are evidenced by time-dependent neutron diffraction measurements and can be explained by several competing magnetic phases with incommensurate short-range correlations coexisting in this material.

  14. SuperLU{_}DIST: A scalable distributed-memory sparse direct solver for unsymmetric linear systems

    SciTech Connect (OSTI)

    Li, Xiaoye S.; Demmel, James W.

    2002-03-27

    In this paper, we present the main algorithmic features in the software package SuperLU{_}DIST, a distributed-memory sparse direct solver for large sets of linear equations. We give in detail our parallelization strategies, with focus on scalability issues, and demonstrate the parallel performance and scalability on current machines. The solver is based on sparse Gaussian elimination, with an innovative static pivoting strategy proposed earlier by the authors. The main advantage of static pivoting over classical partial pivoting is that it permits a priori determination of data structures and communication pattern for sparse Gaussian elimination, which makes it more scalable on distributed memory machines. Based on this a priori knowledge, we designed highly parallel and scalable algorithms for both LU decomposition and triangular solve and we show that they are suitable for large-scale distributed memory machines.

  15. Heat capacity and thermal expansion of icosahedral lutetium boride LuB66

    SciTech Connect (OSTI)

    Novikov, V V; Avdashchenko, D V; Matovnikov, A V; Mitroshenkov, N V; Bud’ko, S L

    2014-01-07

    The experimental values of heat capacity and thermal expansion for lutetium boride LuB66 in the temperature range of 2-300 K were analysed in the Debye-Einstein approximation. It was found that the vibration of the boron sub-lattice can be considered within the Debye model with high characteristic temperatures; low-frequency vibration of weakly connected metal atoms is described by the Einstein model.

  16. On the photoelectron velocity-map imaging of lutetium monoxide anion LuO{sup ?}

    SciTech Connect (OSTI)

    Liu, Zhiling; Xie, Hua; Qin, Zhengbo; Cong, Ran; Wu, Xia; Tang, Zichao, E-mail: zctang@dicp.ac.cn; Fan, Hongjun, E-mail: fanhj@dicp.ac.cn [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China)] [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China); Li, Quanjiang [School of Physics and Optoelectronic Technology, and College of Advanced Science and Technology, Dalian University of Technology, Dalian 116024 (China)] [School of Physics and Optoelectronic Technology, and College of Advanced Science and Technology, Dalian University of Technology, Dalian 116024 (China)

    2014-01-21

    We report a combined photoelectron velocity-map imaging spectroscopy and density functional theory investigation on lutetium monoxide anion. Transition between the X {sup 1}?{sup +} anion electronic ground state and the neutral X {sup 2}?{sup +} electronic ground state is observed. Vibrationally resolved spectra were obtained at four different photon energies, providing a wealth of spectroscopic information for the electronic ground states of the anionic lutetium monoxide and corresponding neutral species. Franck-Condon simulations of the ground-state transition are performed to assign vibrational structure in the spectra and to assist in identifying the observed spectral bands. The electronic ground state of LuO{sup ?} is found to have a vibrational frequency of 743 10 cm{sup ?1} and an equilibrium bond length of 1.841 . The electron affinity of LuO is measured to be 1.624 0.002 eV. The fundamental frequency of ground-state LuO is estimated to be 839 10 cm{sup ?1}.

  17. An In-Depth Analysis of the Chung-Lu Model

    SciTech Connect (OSTI)

    Winlaw, M.; DeSterck, H.; Sanders, G.

    2015-10-28

    In the classic Erd}os R enyi random graph model [5] each edge is chosen with uniform probability and the degree distribution is binomial, limiting the number of graphs that can be modeled using the Erd}os R enyi framework [10]. The Chung-Lu model [1, 2, 3] is an extension of the Erd}os R enyi model that allows for more general degree distributions. The probability of each edge is no longer uniform and is a function of a user-supplied degree sequence, which by design is the expected degree sequence of the model. This property makes it an easy model to work with theoretically and since the Chung-Lu model is a special case of a random graph model with a given degree sequence, many of its properties are well known and have been studied extensively [2, 3, 13, 8, 9]. It is also an attractive null model for many real-world networks, particularly those with power-law degree distributions and it is sometimes used as a benchmark for comparison with other graph generators despite some of its limitations [12, 11]. We know for example, that the average clustering coe cient is too low relative to most real world networks. As well, measures of a nity are also too low relative to most real-world networks of interest. However, despite these limitations or perhaps because of them, the Chung-Lu model provides a basis for comparing new graph models.

  18. Lu{sub 2}O{sub 3}:Eu{sup 3+} glass ceramic films: Synthesis, structural and spectroscopic studies

    SciTech Connect (OSTI)

    Carrera Jota, M.L.; Garca Murillo, A.; Morales Ramrez, A. de J.; Rosa Cruz, E. de la; Kassiba, Abdelhadi

    2014-03-01

    Graphical abstract: - Highlights: Lu{sub 2}O{sub 3}:Eu{sup 3+}@SiO{sub 2} films were synthesized by solgel and by dip-coating technique. Effects of incorporating PVP on structural properties were studied. Effects of incorporating silica (SiO{sub 2}) luminescence characteristics were analyzed. X-ray diffraction results showed that Lu{sub 2}O{sub 3}:Eu{sup 3+}@SiO{sub 2} crystallizes at 700 C. The 611 nm emission for the Lu:Si = 8:1 system presented an improvement. - Abstract: For the first time, transparent and crack free europium-doped lutetia silica solgel films were synthesized using the dip-coating technique on silica quartz substrates. In this study, we examined the effects of incorporating polyvinylpyrrolidone (PVP) and silica (SiO{sub 2}) into different precursor solutions for different LuSi molar ratios: 4:1, 6:1, 8:1 and 10:1. Different systems, such as Lu{sub 2}O{sub 3}:Eu{sup 3+}@SiO{sub 2} (using the above Lu:Si molar ratios), were synthesized by solgel and by dip-coating technique, employing acetylacetonate lutetium and tetraethylorthosilicate as Lu and Si precursors, in order to produce Lu{sub 2}O{sub 3}:Eu{sup 3+} (5 mol%)@SiO{sub 2} glassceramic films. The film microstructure was studied by microRaman spectroscopy (MRS) and X-ray diffraction (XRD) for different Lu:Si molar ratios on films annealed at 700 C. X-ray diffraction results showed that the lutetium oxide cubic phase crystallizes in the silica matrix at 700 C, and the crystallite size of Lu{sub 2}O{sub 3}:Eu{sup 3+}@SiO{sub 2} films varies from 5 nm to 17 nm according to the respective Lu:Si molar ratios. Opto-geometrical parameters determined by m-lines spectroscopy using a 632.5 nm HeNe laser showed that the Eu{sup 3+} doped films heat-treated at 700 C presented a thickness and density of 1.7 ?m (8.8 g cm{sup ?3}), 970 nm (9.2 g cm{sup ?3}), 1 ?m (9.3 g cm{sup ?3}) and 1.3 ?m (9.25 g cm{sup ?3}) for the Lu:Si = 4:1, 6:1, 8:1 and 10:1 molar ratio systems, respectively

  19. Pharmacokinetics and biodistribution of intravenous Lu-177 CC49 murine monoclonal antibody (MAb) in patients with metastatic adenocarcinoma

    SciTech Connect (OSTI)

    Carrasquillo, J.; Mulligan, T.; Chung, Y.

    1994-05-01

    The pharmacokinetics of Lu-177 labeled CG49, a murine monoclonal antibody that is undergoing testing for radioimmunotherapy, was evaluated. CC49 is a second generation murine MAb that recognizes TAG-72, a pan-carcinoma tumor associated antigen. Labeling of CC49 MAb with Lu-177, a beta emitter was performed by first labeling a derivative of 1,4,5,10-tetraazacyclododecane-tetraacetic acid (PA-DOTA) with Lu-177 and then attaching the Lu-177 labeled PA-DOTA to CC49. CC49 was labeled with Lu-177 at a maximum specific activity of 185 MBq/mg. HPLC showed 96-100% protein bound Lu-177 and <4% aggregate formation. A Phase I dose escalation study was performed. Nine patients with TAG-72 positive, advanced metastatic adenocarcinoma (5- breast, 3- colorectal and 1- lung) were treated with escalating iv doses of Lu-177-(PA-DOTA) CC49: 370 MBq/m2, 555 MBq/m2 and 925 MBq/m2 (range 560-1575 MBq). Pharmacokinetics showed that the plasma cleared with a T1/2 of {approximately}67 hrs which is in the range seen with I-131 CC49. The whole body retention of Lu-177 was prolonged with a biological T1/2 of 223 hr. Urinary excretion ranged from 7 to 26% in the first 96 hrs. Serial images showed early blood pool distribution with prominent uptake in the liver, spleen and marrow. Some intestinal excretion was noted. Tumor imaging was seen in all patients although riot all tumors were visualized. Bone marrow biopsies were obtained in all patients and suggested that the accumulation seen on scan was predominantly in the marrow rather than the bone. MIRDOSE estimates from the first 6 patients suggested doses to the marrow in the range of {approximately}4 cG/37 MBq. This study indicated that while the serum pharmacokinetics of Lu-177-(PA-DOTA)-CC49 are similar to those seen with I-131 CC49, the whole body retention and bone marrow accumulation are different and therefore require further investigation to minimize the bone marrow accumulation.

  20. Comparative efficacy of 177Lu and 90Y for Anti-CD20 Pretargeted Radioimmunotherapy in Murine Lymphoma Xenograft Models

    DOE PAGES-Beta [OSTI]

    Frost, Sofia H. L.; Frayo, Shani L.; Miller, Brian W.; Orozco, Johnnie J.; Booth, Garrett C.; Hylarides, Mark D.; Lin, Yukang; Green, Damian J.; Gopal, Ajay K.; Pagel, John M.; et al

    2015-03-18

    Purpose Pretargeted radioimmunotherapy (PRIT) is a multi-step method of selectively delivering high doses of radiotherapy to tumor cells while minimizing exposure to surrounding tissues. Yttrium-90 (90Y) and lutetium-177 (177Lu) are two of the most promising beta-particle emitting radionuclides used for radioimmunotherapy, which despite having similar chemistries differ distinctly in terms of radiophysical features. These differences may have important consequences for the absorbed dose to tumors and normal organs. Whereas 90Y has been successfully applied in a number of preclinical and clinical radioimmunotherapy settings, there have been few published pretargeting studies with 177Lu. We therefore compared the therapeutic potential of targetingmore » either 90Y or 177Lu to human B-cell lymphoma xenografts in mice. Methods Parallel experiments evaluating the biodistribution, imaging, dosimetry, therapeutic efficacy, and toxicity were performed in female athymic nude mice bearing either Ramos (Burkitt lymphoma) or Granta (mantle cell lymphoma) xenografts, utilizing an anti-CD20 antibodystreptavidin conjugate (1F5-SA) and an 90Y- or 177Lu-labeled 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid (DOTA)-biotin second step reagent. Results The two radionuclides displayed comparable biodistributions in tumors and normal organs; however, the absorbed radiation dose delivered to tumor was more than twice as high for 90Y (1.3 Gy/MBq) as for 177Lu (0.6 Gy/MBq). More importantly, therapy with 90Y-DOTAbiotin was dramatically more effective than with 177Lu-DOTA-biotin, with 100% of Ramos xenograft-bearing mice cured with 37 MBq 90Y, whereas 0% were cured using identical amounts of 177Lu-DOTA-biotin. Similar results were observed in mice bearing Granta xenografts, with 80% of the mice cured with 90Y-PRIT and 0% cured with 177Lu-PRIT. Toxicities were comparable with both isotopes. Conclusion 90Y was therapeutically superior to 177Lu for streptavidin-biotin PRIT

  1. Direct band gaps in multiferroic h-LuFeO{sub 3}

    SciTech Connect (OSTI)

    Holinsworth, B. S.; Mazumdar, D.; Musfeldt, J. L.; Brooks, C. M.; Mundy, J. A.; Das, H.; Fennie, C. J.; Cherian, J. G.; McGill, S. A.; Schlom, D. G.

    2015-02-23

    We measured the optical properties of epitaxial thin films of the metastable hexagonal polymorph of LuFeO{sub 3} by absorption spectroscopy, magnetic circular dichroism, and photoconductivity. Comparison with complementary electronic structure calculations reveals a 1.1 eV direct gap involving hybridized Fe 3d{sub z{sup 2}}+O 2p{sub z}→Fe d excitations at the Γ and A points, with a higher energy direct gap at 2.0 eV. Both charge gaps nicely overlap the solar spectrum.

  2. Lu1-xI3:Cex--A Scintillator for gamma ray spectroscopy and time-of-flight PET

    DOE Patents [OSTI]

    Shah, Kanai S.

    2009-03-17

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

  3. Magnetization dynamics and frustration in the multiferroic double perovskite Lu2MnCoO6

    DOE PAGES-Beta [OSTI]

    Zapf, Vivien S.; Ueland, B. G.; Laver, Mark; Lonsky, Martin; Pohlit, Merlin; Muller, Jens; Lancaster, Tom; Moller, Johannes S.; Blundell, Stephen J.; Singleton, John; et al

    2016-04-29

    Here, we investigate the magnetic ordering and the magnetization dynamics (from kHz to THz time scales) of the double perovskite Lu2MnCoO6 using elastic neutron diffraction, muon spin relaxation, and micro-Hall magnetization measurements. This compound is known to be a type II multiferroic with the interesting feature that a ferromagneticlike magnetization hysteresis loop couples to an equally hysteretic electric polarization in the bulk of the material despite a zero-field magnetic ordering of the type ↑↑↓↓ along Co-Mn spin chains. Here we explore the unusual dynamics of this compound and find extremely strong fluctuations, consistent with the axial next-nearest-neighbor Ising (ANNNI) modelmore » for frustrated spin chains. We identify three temperature scales in Lu2MnCoO6 corresponding to the onset of highly fluctuating long-range order below TN = 50±3 K identified from neutron scattering, the onset of magnetic and electric hysteresis, with change in kHz magnetic and electric dynamics below a 30 K temperature scale, and partial freezing of ~MHz spin fluctuations in the muon spin relaxation data below 12 ± 3 K. Our results provide a framework for understanding the multiferroic behavior of this compound and its hysteresis and dynamics.« less

  4. Features of the band structure and conduction mechanisms of n-HfNiSn semiconductor heavily Lu-doped

    SciTech Connect (OSTI)

    Romaka, V. A.; Rogl, P.; Romaka, V. V.; Kaczorowski, D.; Stadnyk, Yu. V.; Korzh, R. O.; Krayovskyy, V. Ya.; Kovbasyuk, T. M.

    2015-03-15

    The crystal and electronic structures, energy, kinetic, and magnetic characteristics of n-HfNiSn semiconductor heavily doped with a Lu acceptor impurity in the ranges T = 80–400 K and N{sub A}{sup Lu} ≈ 1.9 × 10{sup 20}−1.9 × 10{sup 21} cm{sup −3} (x = 0.01–0.10) at H ≤ 10 kG is studied. The nature of the structural-defect generation mechanism leading to changes in the band gap and the degree of semiconductor compensation is determined. Its essence is the simultaneous reduction and elimination of donor-type structural defects due to the displacement of ∼1% of Ni atoms from the Hf (4a) site, the generation of acceptor-type structural defects by substituting Ni atoms with Lu atoms at the 4c site, and the generation of donor-type defects such as vacancies at the Sn (4b) site. The results of calculations of the electronic structure of Hf{sub 1−x}Lu{sub x}NiSn are in agreement with experimental data. The results are discussed within the model of a heavily doped and compensated Shklovskii-Efros semiconductor.

  5. Sub-10 nm lanthanide doped BaLuF{sub 5} nanocrystals: Shape controllable synthesis, tunable multicolor emission and enhanced near-infrared upconversion luminescence

    SciTech Connect (OSTI)

    Rao, Ling; Lu, Wei; Wang, Haibo; Yi, Zhigao; Zeng, Songjun; Li, Zheng

    2015-04-15

    Highlights: • Sub-10 nm cubic phase BaLuF{sub 5} nanocrystals were synthesized by a hydrothermal method for the first time. • Tunable multicolor from yellow to yellow-green was achieved by controlling Gd{sup 3+} content in BaLuF{sub 5}:Yb/Er system. • Intense near-infrared upconversion luminescence in BaLuF{sub 5}:Gd/Yb/Tm nanocrystal. • The enhancement near-infrared luminescence can be realized by adjusting the content of Gd{sup 3+} in BaLuF{sub 5}:Gd/Yb/Tm system. - Abstract: In this study, sub-10 nm BaLuF{sub 5} nanocrystals with cubic phase structure were synthesized by a solvothermal method using oleic acid as the stabilizing agent. The as-prepared BaLuF{sub 5} nanocrystals were characterized by transmission electron microscopy (TEM), X-ray diffraction (XRD), and analyzed by the upconversion (UC) spectra. The TEM results reveal that these samples present high uniformity. Compared with Gd-free samples, the size of BaLuF{sub 5}:Yb/Er doped with 10% Gd{sup 3+} decreased to 5.6 nm. In addition, BaLuF{sub 5}:Yb/Tm/Gd upconversion nanoparticles (UCNPs) presented efficient near-infrared (NIR)-NIR UC luminescence. Therefore, it is expected that these ultra-small BaLuF{sub 5} nanocrystals with well-controlled shape, size, and UC emission have potential applications in biomedical imaging fields.

  6. Thermoelectric properties of binary LnN (Ln=La and Lu): First principles study

    SciTech Connect (OSTI)

    Sreeparvathy, P. C.; Gudelli, Vijay Kumar; Kanchana, V.; Vaitheeswaran, G.; Svane, A.; Christensen, N. E.

    2015-06-24

    First principles density functional calculations were carried out to study the electronic structure and thermoelectric properties of LnN (Ln = La and Lu) using the full potential linearized augmented plane wave (FP-LAPW) method. The thermoelectric properties were calculated by solving the Boltzmann transport equation within the constant relaxation time approximation. The obtained lattice parameters are in good agreement with the available experimental and other theoretical results. The calculated band gaps using the Tran-Blaha modified Becke-Johnson potential (TB-mBJ), of both compounds are in good agreement with the available experimental values. Thermoelectric properties like thermopower (S), electrical conductivity scaled by relaxation time (σ/τ) and power-factor (S{sup 2}σ/τ) are calculated as functions of the carrier concentration and temperature for both compounds. The calculated thermoelectric properties are compared with the available experimental results of the similar material ScN.

  7. 57Fe Mössbauer study of Lu2Fe3Si5 iron silicide superconductor

    DOE PAGES-Beta [OSTI]

    Ma, Xiaoming; Ran, Sheng; Pang, Hua; Li, Fashen; Canfield, Paul C.; Bud'ko, Sergey L.

    2015-08-01

    With the advent of Fe–As based superconductivity it has become important to study how superconductivity manifests itself in details of 57Fe Mössbauer spectroscopy of conventional, Fe-bearing superconductors. The iron-based superconductor Lu2Fe3Si5 has been studied by 57Fe Mössbauer spectroscopy over the temperature range from 4.4 K to room temperature with particular attention to the region close to the superconducting transition temperature (Tc=6.1 K). Consistent with the two crystallographic sites for Fe in this structure, the observed spectra appear to have a pattern consisting of two doublets over the whole temperature range. Furthermore, the value of Debye temperature was estimated from temperaturemore » dependence of the isomer shift and the total spectral area and compared with the specific heat capacity data. Neither abnormal behavior of the hyperfine parameters at or near Tc, nor phonon softening were observed.« less

  8. Helical antiferromagnetic ordering in Lu1-xScxMnSi

    SciTech Connect (OSTI)

    Goetsch, Ryan J; Anand, V K; Johnston, David C

    2014-08-01

    Polycrystalline samples of Lu1?xScxMnSi (x=0, 0.25, 0.5) are studied using powder x-ray diffraction, heat capacity Cp, magnetization, magnetic susceptibility ?, and electrical resistivity ? measurements versus temperature T and magnetic field H. This system crystallizes in the primitive orthorhombic TiNiSi-type structure (space group Pnma) as previously reported. The ?(T) data indicate metallic behavior. The Cp(T), ?(T), and ?(T) measurements consistently indicate long-range antiferromagnetic (AF) transitions with AF ordering temperatures TN=246, 215, and 188 K for x=0, 0.25, and 0.5, respectively. A second transition is observed at somewhat lower T for each sample from the ?(T) and ?(T) measurements, which we speculate are due to spin reorientation transitions; these second transitions are completely suppressed in H=5.5 T. The Cp data below 10 K for each composition indicate an enhanced Sommerfeld electronic heat capacity coefficient for the series in the range ?=2429 mJ/mol K2. The ?(T) measurements up to 1000 K were fitted by local-moment Curie-Weiss behaviors which indicate a low Mn spin S?1. The ? data below TN are analyzed using the Weiss molecular field theory for a planar noncollinear cycloidal AF structure with a composition-dependent pitch, following the previous neutron diffraction work of Venturini et al. [J. Alloys Compd. 256, 65 (1997)]. Within this model, the fits indicate a turn angle between Mn ordered moments along the cycloid axis of ?100? or ?145?, either of which indicate dominant AF interactions between the Mn spins in the Lu1?xScxMnSi series of compounds.

  9. Lu.sub.1-xI.sub.3:Ce.sub.x-a scintillator for gamma-ray spectroscopy and time-of-flight pet

    DOE Patents [OSTI]

    Shah, Kanai S.

    2008-02-12

    The present invention includes very fast scintillator materials including lutetium iodide doped with Cerium (Lu.sub.1-xI.sub.3:Ce.sub.x; LuI.sub.3:Ce). The LuI.sub.3 scintillator material has surprisingly good characteristics including high light output, high gamma-ray stopping efficiency, fast response, low cost, good proportionality, and minimal afterglow that the material is useful for gamma-ray spectroscopy, medical imaging, nuclear and high energy physics research, diffraction, non-destructive testing, nuclear treaty verification and safeguards, and geological exploration.

  10. Materials and Electrical Characterization of Physical Vapor Deposited LaxLu1-xO3 Thin Films on 300 mm Silicon

    SciTech Connect (OSTI)

    L Edge; T Vo; V Paruchuri; R Iijima; J Bruley; J Jordan-Sweet; B Linder; A Kellock; T Tsunoda; S Shinde

    2011-12-31

    La{sub x}Lu{sub 1-x}O{sub 3} thin films were deposited on 300 mm silicon wafers by physical vapor deposition and fabricated into field-effect transistors using a gate-first process flow. The films were characterized using transmission electron microscopy, Rutherford backscattering spectrometry, and synchrotron x-ray diffraction. The results show the films remain amorphous even at temperatures of 1000 C. The dielectric properties of La{sub x}Lu{sub 1-x}O{sub 3} (0.125 {<=} x {<=} 0.875) thin films were evaluated as a function of film composition. The amorphous La{sub x}Lu{sub 1-x}O{sub 3} thin films have a dielectric constant (K) of 23 across the composition range. The inversion thickness (T{sub inv}) of the La{sub x}Lu{sub 1-x}O{sub 3} thin films was scaled to <1.0 nm.

  11. Fabrication and microstructure of cerium doped lutetium aluminum garnet (Ce:LuAG) transparent ceramics by solid-state reaction method

    SciTech Connect (OSTI)

    Li, Junlang; Xu, Jian; Shi, Ying; Qi, Hongfang; Xie, Jianjun; Lei, Fang

    2014-07-01

    Highlights: We fabricate Ce doped lutetium aluminum garnet ceramics by solid-state method. The raw materials include Lu{sub 2}O{sub 3} nanopowders synthesized by co-precipitation method. The density of the transparent ceramics reach 99.7% of the theoretical value. The optical transmittance of the bulk ceramic at 550 nm was 57.48%. Some scattering centers decrease the optical characteristic of the ceramic. - Abstract: Polycrystalline Ce{sup 3+} doped lutetium aluminum garnet (Ce:LuAG) transparent ceramics fabricated by one step solid-state reaction method using synthetic nano-sized Lu{sub 2}O{sub 3}, commercial ?-Al{sub 2}O{sub 3} and CeO{sub 2} powders were investigated in this paper. The green compacts shaped by the mixed powders were successfully densified into Ce:LuAG transparent ceramics after vacuum sintering at 1750 C for 10 h. The in-line optical transmittance of the Ce:LuAG ceramic made by home-made Lu{sub 2}O{sub 3} powders could reach 57.48% at 550 nm, which was higher than that of the ceramic made by commercial Lu{sub 2}O{sub 3} powders (22.96%). The microstructure observation showed that light scattering centers caused by micro-pores, aluminum segregation and refraction index inhomogeneities induced the decrease of optical transparency of the Ce:LuAG ceramics, which should be removed and optimized in the future work.

  12. ORNL/luSA-85/6 Health and Safety Research Division PRELIMINARY RADIOLOGICAL SURVEY OF TEE FORMER HAVENS PLANT

    Office of Legacy Management (LM)

    luSA-85/6 Health and Safety Research Division PRELIMINARY RADIOLOGICAL SURVEY OF TEE FORMER HAVENS PLANT OF TEE BRIDGEPORT BRASS COMPANY, BRIDGEPORT, CONNECTICUT May 1985 Work performed as part of the RADIOLOGICAL SURVEY ACCIVITIES PROGRAM OAK RIDGE NATIONAL LABORATORY Oak Ridge, Tennessee 37831 operated by MARTIN MARIETTA ENERGY SYSTEMS, INC. for the U. S. DEPARTMENT OF ENERGY under Contract No. DE-AC05-840R21400 \ .-l__--.-- -- PRELIMINARY RADIOLOGICAL SURVEY OF THE FORMER HAVENS PLAEJT OF THE

  13. Comparison of Cathodoluminescent and Photoluminescent Emission Spectra of LuPO4 with Different Dopants

    SciTech Connect (OSTI)

    Goedeke, Shawn; Hollerman, William Andrew; Allison, Stephen W; Gray, P A; Lewis, Linda A; Smithwick III, Robert W; Boatner, Lynn A; Glasgow, David C; Wise, H.

    2008-01-01

    The current interest in returning human exploration to the Moon and Mars makes cost-effective and low-mass health monitoring sensors essential for spacecraft development. In space, there are many surface measurements that are required to monitor the condition of the spacecraft including: surface temperature, radiation dose, and impact. Through the use of tailored phosphors, these conditions can be monitored. Practical space-based phosphor sensors will depend heavily upon research investigating the resistance of phosphors to ionizing radiation and their ability to anneal or 'self-heal' from damage caused by ionizing radiation. For the present research, a group of lutetium orthophosphate (LuPO{sub 4}) crystals with dopants including europium, erbium, and neodymium were characterized. Cathodoluminescence (CL) testing was performed using the low energy electron system located at the NASA Marshall Space Flight Center in Huntsville, Alabama. The data were collected using an Ocean Optics HR4000 spectrometer and a fiber optic feed-through. Previous research has shown that increases in both beam energy and current density improved the CL fluorescence yield. While the total electron dose was small, the intention was to maximize the number of irradiated materials. Additionally, these samples were evaluated using a PTI Quantum Master Spectrophotometer to determine the photoluminescence emission spectra.

  14. 57Fe Mössbauer study of Lu2Fe3Si5 iron silicide superconductor

    DOE PAGES-Beta [OSTI]

    Ma, Xiaoming; Ran, Sheng; Pang, Hua; Li, Fashen; Canfield, Paul C.; Bud'ko, Sergey L.

    2015-03-28

    With the advent of Fe–As based superconductivity it has become important to study how superconductivity manifests itself in details of 57Fe Mössbauer spectroscopy of conventional, Fe-bearing superconductors. The iron-based superconductor Lu2Fe3Si5 has been studied by 57Fe Mössbauer spectroscopy over the temperature range from 4.4 K to room temperature with particular attention to the region close to the superconducting transition temperature (Tc=6.1 K). Furthermore, consistent with the two crystallographic sites for Fe in this structure, the observed spectra appear to have a pattern consisting of two doublets over the whole temperature range. The value of Debye temperature was estimated from temperaturemore » dependence of the isomer shift and the total spectral area and compared with the specific heat capacity data. As a result, neither abnormal behavior of the hyperfine parameters at or near Tc, nor phonon softening were observed.« less

  15. Comparative efficacy of 177Lu and 90Y for Anti-CD20 Pretargeted Radioimmunotherapy in Murine Lymphoma Xenograft Models

    SciTech Connect (OSTI)

    Frost, Sofia H. L.; Frayo, Shani L.; Miller, Brian W.; Orozco, Johnnie J.; Booth, Garrett C.; Hylarides, Mark D.; Lin, Yukang; Green, Damian J.; Gopal, Ajay K.; Pagel, John M.; Bäck, Tom A.; Fisher, Darrell R.; Press, Oliver W.; Afrin, Farhat

    2015-03-18

    Purpose Pretargeted radioimmunotherapy (PRIT) is a multi-step method of selectively delivering high doses of radiotherapy to tumor cells while minimizing exposure to surrounding tissues. Yttrium-90 (90Y) and lutetium-177 (177Lu) are two of the most promising beta-particle emitting radionuclides used for radioimmunotherapy, which despite having similar chemistries differ distinctly in terms of radiophysical features. These differences may have important consequences for the absorbed dose to tumors and normal organs. Whereas 90Y has been successfully applied in a number of preclinical and clinical radioimmunotherapy settings, there have been few published pretargeting studies with 177Lu. We therefore compared the therapeutic potential of targeting either 90Y or 177Lu to human B-cell lymphoma xenografts in mice. Methods Parallel experiments evaluating the biodistribution, imaging, dosimetry, therapeutic efficacy, and toxicity were performed in female athymic nude mice bearing either Ramos (Burkitt lymphoma) or Granta (mantle cell lymphoma) xenografts, utilizing an anti-CD20 antibodystreptavidin conjugate (1F5-SA) and an 90Y- or 177Lu-labeled 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid (DOTA)-biotin second step reagent. Results The two radionuclides displayed comparable biodistributions in tumors and normal organs; however, the absorbed radiation dose delivered to tumor was more than twice as high for 90Y (1.3 Gy/MBq) as for 177Lu (0.6 Gy/MBq). More importantly, therapy with 90Y-DOTAbiotin was dramatically more effective than with 177Lu-DOTA-biotin, with 100% of Ramos xenograft-bearing mice cured with 37 MBq 90Y, whereas 0% were cured using identical amounts of 177Lu-DOTA-biotin. Similar results were observed in mice bearing Granta xenografts, with 80% of the mice cured with 90Y-PRIT and 0

  16. Observation of a topologically non-trivial surface state in half-Heusler PtLuSb (001) thin films

    Office of Scientific and Technical Information (OSTI)

    30 Nov 2015 Accepted 16 May 2016 Published 27 Jun 2016 DOI: 10.1038/ncomms11993 OPEN Observation of a topologically non-trivial surface state in half-Heusler PtLuSb (001) thin films J.A. Logan1, S.J. Patel1, S.D. Harrington1, C.M. Pol ley2, B.D. Schultz3, T. Balasubramanian2, A. Janotti4, A. Mikkelsen5 & C.J. Palmstrem1,3 The discovery of topological insulators, materials with bulk band gaps and protected cross-gap surface states in compounds such as Bi2Se3, has generated much interest in

  17. Lu.sub.1-xI.sub.3:Ce.sub.x--a scintillator for gamma ray spectroscopy and time-of-flight PET

    DOE Patents [OSTI]

    Shah, Kanai S.

    2007-02-06

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

  18. Evolution of electronic states in the Kondo alloy system Yb{sub 1{minus}x}Lu{sub x}B{sub 12}

    SciTech Connect (OSTI)

    Susaki, T.; Konishi, T.; Sekiyama, A.; Mizokawa, T.; Fujimori, A.; Iwasaki, T.; Ueda, S.; Matsushita, T.; Suga, S.; Ishii, H.; Iga, F.; Kasaya, M.

    1997-12-01

    We have studied the effect of Lu substitution on the Kondo insulator YbB{sub 12} by high-resolution photoemission. Comparison of the spectra of YbB{sub 12}, Yb{sub 0.5}Lu{sub 0.5}B{sub 12}, and LuB{sub 12} reveals that the density of states (DOS) of the B sp-derived conduction band near the Fermi level is reduced in YbB{sub 12} over a rather wide ({approximately} 40 meV) energy region. Lu substitution (i) recovers the reduced B sp DOS, (ii) shifts the Yb 4f-derived Kondo peak towards higher binding energy, and (iii) decreases the Yb valence. These results are consistently analyzed using the Anderson-impurity model, and imply interaction between the Yb 4f ions mediated by the Yb 4f-B sp hybridization in YbB{sub 12}. {copyright} {ital 1997} {ital The American Physical Society}

  19. Formation of Po isotopes in the reactions {sup 27}Al + {sup 175}Lu and {sup 31}P + {sup 169}Tm

    SciTech Connect (OSTI)

    Andreev, A.N.; Bogdanov, D.D.; Eremin, A.V.

    1995-05-01

    The excitation functions and the cross sections for the formation of {sup 192-198}Po isotopes in the reactions {sup 27}Al + {sup 175}Lu and {sup 31}P + {sup 169}Tm are measured. A comparison of the results obtained for these reactions with the data on the cross sections for the formation of Po isotopes in the reaction {sup 100}Mo + {sup 92-100}Mo leads to the conclusion that the characteristics of the evaporation channel do not depend on the mass of the bombarding ion up to the complete symmetry in the input channel. It is shown that the experimental data can be adequately described using the statistical approach to the deexcitation of a compound nucleus only under the assumption that the liquid-drop fission barrier is reduced significantly for neutron-deficient Po isotopes. 21 refs., 5 figs., 2 tabs.

  20. Study of 57 Fe Mössbauer effect in RFe2Zn20 ( R = Lu, Yb, Gd)

    DOE PAGES-Beta [OSTI]

    Bud’ko, Sergey L.; Kong, Tai; Ma, Xiaoming; Canfield, Paul C.

    2015-08-04

    In this document we report measurements of 57Fe Mössbauer spectra for RFe2Zn20 (R = Lu, Yb, Gd) from ~ 4.5 K to room temperature. The obtained isomer shift values are very similar for all three compounds, their temperature dependence was analyzed within the Debye model and resulted in an estimate of the Debye temperatures of 450-500 K. The values of quadrupole splitting at room temperature change with the cubic lattice constant a in a linear fashion. For GdFe2Zn20, ferromagnetic order is seen as an appearance of a sextet in the spectra. The 57Fe site hyperfine field for T → 0more » was evaluated to be ~ 2.4 T.« less

  1. On the effective implementation of a boundary element code on graphics processing units unsing an out-of-core LU algorithm

    SciTech Connect (OSTI)

    D'Azevedo, Ed F; Nintcheu Fata, Sylvain

    2012-01-01

    A collocation boundary element code for solving the three-dimensional Laplace equation, publicly available from \\url{http://www.intetec.org}, has been adapted to run on an Nvidia Tesla general purpose graphics processing unit (GPU). Global matrix assembly and LU factorization of the resulting dense matrix were performed on the GPU. Out-of-core techniques were used to solve problems larger than available GPU memory. The code achieved over eight times speedup in matrix assembly and about 56~Gflops/sec in the LU factorization using only 512~Mbytes of GPU memory. Details of the GPU implementation and comparisons with the standard sequential algorithm are included to illustrate the performance of the GPU code.

  2. Temperature dependence of the radiation tolerance of nanocrystalline pyrochlores A2Ti2O7 (A = Gd, Ho and Lu)

    DOE PAGES-Beta [OSTI]

    Wen, J.; Sun, C.; Dholabhai, P. P.; Xia, Y.; Tang, M.; Chen, D.; Yang, D. Y.; Li, Y. H.; Uberuaga, B. P.; Wang, Y. Q.

    2016-05-15

    A potentially enhanced radiation resistance of nanocrystalline materials, as a consequence of the high density of interfaces and surfaces, has attracted much attention both to understand the fundamental role of these defect sinks and to develop them for high-radiation environments. Here, irradiation response of nanocrystalline A2Ti2O7 (A = Gd, Ho and Lu) pyrochlore powders with grain sizes of 20–30 nm was investigated by 1-MeV Kr2+ ion bombardment. In situ transmission electron microscopy (TEM) revealed that the critical amorphization fluence for each nanocrystalline compound at room temperature was greater than that for their coarse-grained counterparts, indicating an enhanced amorphization resistance. Themore » effect of temperature on the irradiation response of one of these compounds, nanocrystalline Lu2Ti2O7, was further examined by performing ion irradiation at an elevated temperature range of 480–600 K. The critical amorphization temperature (Tc) was found to be noticeably higher in nanocrystalline Lu2Ti2O7 (610 K) than its coarse-grained counterpart (480 K), revealing that nanocrystalline Lu2Ti2O7 is less resistant to amorphization compared to its coarse-grained phase under high temperatures. We interpret these results with the aid of atomistic simulations. Molecular statics calculations find that cation antisite defects are less energetically costly to form near surfaces than in the bulk, suggesting that the nanocrystalline form of these materials is generally less susceptible to amorphization than coarse-grained counterparts at low temperatures where defect kinetics are negligible. In contrast, at high temperatures, the annealing efficiency of antisite defects by cation interstitials is significantly reduced due to the sink properties of the surfaces in the nanocrystalline pyrochlore, which contributes to the observed higher amorphization temperature in the nano-grained phase than in coarse-grained counterpart. Altogether, these results provide new

  3. Sci—Thur AM: YIS - 03: irtGPUMCD: a new GPU-calculated dosimetry code for {sup 177}Lu-octreotate radionuclide therapy of neuroendocrine tumors

    SciTech Connect (OSTI)

    Montégiani, Jean-François; Gaudin, Émilie; Després, Philippe; Jackson, Price A.; Beauregard, Jean-Mathieu

    2014-08-15

    In peptide receptor radionuclide therapy (PRRT), huge inter-patient variability in absorbed radiation doses per administered activity mandates the utilization of individualized dosimetry to evaluate therapeutic efficacy and toxicity. We created a reliable GPU-calculated dosimetry code (irtGPUMCD) and assessed {sup 177}Lu-octreotate renal dosimetry in eight patients (4 cycles of approximately 7.4 GBq). irtGPUMCD was derived from a brachytherapy dosimetry code (bGPUMCD), which was adapted to {sup 177}Lu PRRT dosimetry. Serial quantitative single-photon emission computed tomography (SPECT) images were obtained from three SPECT/CT acquisitions performed at 4, 24 and 72 hours after {sup 177}Lu-octreotate administration, and registered with non-rigid deformation of CT volumes, to obtain {sup 177}Lu-octreotate 4D quantitative biodistribution. Local energy deposition from the β disintegrations was assumed. Using Monte Carlo gamma photon transportation, irtGPUMCD computed dose rate at each time point. Average kidney absorbed dose was obtained from 1-cm{sup 3} VOI dose rate samples on each cortex, subjected to a biexponential curve fit. Integration of the latter time-dose rate curve yielded the renal absorbed dose. The mean renal dose per administered activity was 0.48 ± 0.13 Gy/GBq (range: 0.30–0.71 Gy/GBq). Comparison to another PRRT dosimetry code (VRAK: Voxelized Registration and Kinetics) showed fair accordance with irtGPUMCD (11.4 ± 6.8 %, range: 3.3–26.2%). These results suggest the possibility to use the irtGPUMCD code in order to personalize administered activity in PRRT. This could allow improving clinical outcomes by maximizing per-cycle tumor doses, without exceeding the tolerable renal dose.

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

    SciTech Connect (OSTI)

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

    2011-06-15

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

  5. Structural characterization of Lu{sub 1.8}Y{sub 0.2}SiO{sub 5} crystals

    SciTech Connect (OSTI)

    Chiriu, Daniele; Faedda, Nicola; Lehmann, Alessandra Geddo; Ricci, Pier Carlo; Anedda, Alberto; Desgreniers, Serge; Fortin, Emery

    2007-08-01

    The structural and vibrational properties of Lu{sub 1.8}Y{sub 0.2}SiO{sub 5} (LYSO) single crystals were investigated by means of Raman spectroscopy and x-ray diffraction measurements. Unit cell parameters and bond lengths were determined by Rietveld refinement of the collected x-ray diffraction powder spectra. By comparison with the vibrational spectra of the parent compounds Lu{sub 2}SiO{sub 5} and Y{sub 2}SiO{sub 5} and by using polarized Raman measurements, we propose the assignment of the principal vibrational modes of LYSO crystals. The strict connection of Raman spectra of the LYSO solid solution and of the pure lutetium and yttrium crystals, as well as the analysis of the polarized measurements, confirms that LYSO structure adopts the C2/c space group symmetry. The structural analogies of LYSO with the pure compound Lu{sub 2}SiO{sub 5} are further shown by means of high pressure Raman spectroscopy, and the possibility of considering the LYSO crystal analogous to the LSO structure with a tensile stress between 0.25 and 0.80 GPa is discussed.

  6. Observation of a topologically non-trivial surface state in half-Heusler PtLuSb (001) thin films

    DOE PAGES-Beta [OSTI]

    Logan, J. A.; Patel, S. J.; Harrington, S. D.; Polley, C. M.; Schultz, B. D.; Balasubramanian, T.; Janotti, A.; Mikkelsen, A.; Palmstrøm, C. J.

    2016-06-27

    The discovery of topological insulators, materials with bulk band gaps and protected cross-gap surface states in compounds such as Bi2Se3, has generated much interest in identifying topological surface states (TSSs) in other classes of materials. In particular, recent theoretical calculations suggest that TSSs may be found in half-Heusler ternary compounds. If experimentally realizable, this would provide a materials platform for entirely new heterostructure spintronic devices that make use of the structurally identical but electronically varied nature of Heusler compounds. Here we show the presence of a TSS in epitaxially grown thin films of the half-Heusler compound PtLuSb. Spin- and angle-resolvedmore » photoemission spectroscopy, complemented by theoretical calculations, reveals a surface state with linear dispersion and a helical tangential spin texture consistent with previous predictions. As a result, this experimental verification of topological behavior is a significant step forward in establishing half-Heusler compounds as a viable material system for future spintronic devices.« less

  7. NMR shielding and spin–rotation constants of {sup 175}LuX (X = {sup 19}F, {sup 35}Cl, {sup 79}Br, {sup 127}I) molecules

    SciTech Connect (OSTI)

    Demissie, Taye B.

    2015-12-31

    This presentation demonstrates the relativistic effects on the spin-rotation constants, absolute nuclear magnetic resonance (NMR) shielding constants and shielding spans of {sup 175}LuX (X = {sup 19}F, {sup 35}Cl, {sup 79}Br, {sup 127}I) molecules. The results are obtained from calculations performed using density functional theory (non-relativistic and four-component relativistic) and coupled-cluster calculations. The spin-rotation constants are compared with available experimental values. In most of the molecules studied, relativistic effects make an order of magnitude difference on the NMR absolute shielding constants.

  8. Resonant photoemission study of multiferroic LuFe{sub 2}O{sub 4} across three-dimensional to two-dimensional charge ordering

    SciTech Connect (OSTI)

    Patankar, S.; Choudhary, R. J.; Phase, D. M.

    2015-04-27

    Electronic structures modification of polycrystalline LuFe{sub 2}O{sub 4} across 3 dimensional to 2 dimensional charge ordering (CO) has been studied by resonance photoemission spectroscopy. Constant-initial-state spectra measured across 3p → 3d resonance energy indicate its charge transfer insulating behavior. Valance band spectra study shows states lying closer to the Fermi level are due to Fe{sup 2+} ions. As the temperature is varied from 3D to 2D CO state, a weight transfer of DOS from low binding energy to higher binding energy is observed which is attributed to the modification in the Fe-O hybridized states.

  9. Growth and luminescent properties of scintillators based on the single crystalline films of Lu{sub 3−x}Gd{sub x}Al{sub 5}O{sub 12}:Ce garnet

    SciTech Connect (OSTI)

    Zorenko, Yu; Gorbenko, V.; Vasylkiv, Ja; Zelenyj, A.; Fedorov, A.; Kucerkova, R.; Mares, J.A.; Nikl, M.; Bilski, P.; Twardak, A.

    2015-04-15

    Highlights: • Single crystalline films of Lu{sub 3−x}Gd{sub x}Al{sub 5}O{sub 12} garnets at x = 0 ÷ 3.0 were grown by LPE method onto YAG substrates. • Lattice constant of Lu{sub 3−}Gd{sub x}Al{sub 5}O{sub 12}:Ce film and the misfit m between films and YAG substrate changed linearly with increasing of Gd content. • Effective Gd{sup 3+}–Ce{sup 3+} energy transfer occurs in the Lu{sub 3−x}Gd{sub x}Al{sub 5}O{sub 12}:Ce films. • Best scintillation light yield is observed in the Lu{sub 3}Al{sub 5}O{sub 12}:Ce and Lu{sub 2.4}Gd{sub 0.6}Al{sub 5}O{sub 12}:Ce films. • Increase of the Gd content in x = 1.5–2.5 range results in decreasing the scintillation LY of Lu{sub 3−x}Gd{sub x}Al{sub 5}O{sub 12}:Ce films. - Abstract: The work is related to the growth of scintillators based on the single crystalline films (SCF) of Ce{sup 3+} doped Lu{sub 3−}Gd{sub x}Al{sub 5}O{sub 12} mixed rare-earth garnets by Liquid Phase Epitaxy (LPE) method. We have shown, that full set of Lu{sub 3−}Gd{sub x}Al{sub 5}O{sub 12} SCFs with x values ranging from 0 to 3.0 can be successfully crystallized by the LPE method onto Y{sub 3}Al{sub 5}O{sub 12} (YAG) substrates from the melt-solutions based on PbO-B{sub 2}O{sub 3} flux. The absorption, X-ray excited luminescence, photoluminescence, thermoluminescence and light yield measurements, the latter under excitation by α-particles of {sup 239}Pu and {sup 241}Am radioisotopes, were applied for their characterization.

  10. Superconducting order parameter in nonmagnetic borocarbides RNi₂B₂C (R=Y, Lu) probed by point-contact Andreev reflection spectroscopy

    DOE PAGES-Beta [OSTI]

    Lu, X.; Park, W. K.; Yeo, S.; Oh, K.-H.; Lee, S.-I.; Bud’ko, S. L.; Canfield, P. C.; Greene, L. H.

    2011-03-25

    We report on the measurements of the superconducting order parameter in the nonmagnetic borocarbides LuNi₂B₂C and YNi₂B₂C. Andreev conductance spectra are obtained from nanoscale metallic junctions on single crystal surfaces prepared along three major crystallographic orientations: [001], [110], and [100]. The gap values extracted by the single-gap Blonder-Tinkham-Klapwijk model follow the theoretical predictions as a function of temperature and magnetic field and exhibit a small anisotropy with no indication of proposed gap nodes along the [100] and [010] directions. These observations are robust and reproducible among all the measurements on two different sets of LuNi₂B₂C crystals and one set ofmore » YNi₂B₂C crystals. We suggest that the possible gap nodes in the [100] direction may be masked by two effects: different gap anisotropy across multiple Fermi surfaces, as reported in the recent photoemission spectroscopy, and the large tunneling cone. Our results provide a consistent picture of the superconducting gap structure in these materials, addressing the controversy particularly in the reported results of point-contact Andreev reflection spectroscopy.« less

  11. Optical and magneto-optical properties of single crystals of RFe{sub 2} (R = Gd, Tb, Ho, and Lu) and GdCo{sub 2} intermetallic compounds

    SciTech Connect (OSTI)

    Lee, S.J.

    1999-02-12

    The author has studied the diagonal and off-diagonal optical conductivity of RFe{sub 2}(R = Gd, Tb, Ho, Lu) and GdCo{sub 2} single crystals grown by the flux method. Using spectroscopic ellipsometry the author has measured the dielectric function from 1.5 to 5.5 eV. The magneto-optical Kerr spectrometer at temperatures between 7 and 295 K and applied magnetic fields between 0.5 to 1.6 T. The apparatus and calibration method are described in detail. Using magneto-optical data and optical constants he derives the experimental value of the off-diagonal conductivity components. Theoretical calculations of optical conductivities and magneto-optical parameters were performed using the tight binding-linear muffin tin orbitals method within the local spin density approximation. He applied this TB-LMTO method to LuFe{sub 2}. The theoretical results obtained agree well with the experimental data. The oxidation effects on the diagonal part of the optical conductivity were considered using a three-phase model. The oxidation effects on the magneto-optical parameters were also considered by treating the oxide layer as a nonmagnetic thin transparent layer. These corrections change not only the magnitude but also the shape of the optical conductivity and the magneto-optical parameters.

  12. Optimizing white light luminescence in Dy{sup 3+}-doped Lu{sub 3}Ga{sub 5}O{sub 12} nano-garnets

    SciTech Connect (OSTI)

    Haritha, P.; Linganna, K.; Venkatramu, V.; Martn, I. R.; Monteseguro, V.; Rodrguez-Mendoza, U. R.; Babu, P.; Len-Luis, S. F.; Jayasankar, C. K.; Lavn, V.

    2014-11-07

    Trivalent dysprosium-doped Lu{sub 3}Ga{sub 5}O{sub 12} nano-garnets have been prepared by sol-gel method and characterized by X-ray powder diffraction, high-resolution transmission electron microscopy, dynamic light scattering, and laser excited spectroscopy. Under a cw 457?nm laser excitation, the white luminescence properties of Lu{sub 3}Ga{sub 5}O{sub 12} nano-garnets have been studied as a function of the optically active Dy{sup 3+} ion concentration and at low temperature. Decay curves for the {sup 4}F{sub 9/2} level of Dy{sup 3+} ion exhibit non-exponential nature for all the Dy{sup 3+} concentrations, which have been well-fitted to a generalized energy transfer model for a quadrupole-quadrupole interaction between Dy{sup 3+} ions without diffusion. From these data, a simple rate-equations model can be applied to predict that intense white luminescence could be obtained from 1.8?mol% Dy{sup 3+} ions-doped nano-garnets, which is in good agreement with experimental results. Chromaticity color coordinates and correlated color temperatures have been determined as a function of temperature and are found to be within the white light region for all Dy{sup 3+} concentrations. These results indicate that 2.0?mol% Dy{sup 3+} ions doped nano-garnet could be useful for white light emitting device applications.

  13. Formation of medical radioisotopes {sup 111}In, {sup 117m}Sn, {sup 124}Sb, and {sup 177}Lu in photonuclear reactions

    SciTech Connect (OSTI)

    Danagulyan, A. S.; Hovhannisyan, G. H. Bakhshiyan, T. M.; Avagyan, R. H.; Avetisyan, A. E.; Kerobyan, I. A.; Dallakyan, R. K.

    2015-06-15

    The possibility of the photonuclear production of radioisotopes {sup 111}In, {sup 117m}Sn, {sup 124}Sb, and {sup 177}Lu is discussed. Reaction yields were measured by the gamma-activation method. The enriched tin isotopes {sup 112,} {sup 118}Sn and Te and HfO{sub 2} of natural isotopic composition were used as targets. The targets were irradiated at the linear electron accelerator of Alikhanian National Science Laboratory (Yerevan) at the energy of 40 MeV. The experimental results obtained in this way reveal that the yield and purity of radioisotopes {sup 111}In and {sup 117}mSn are acceptable for their production via photonuclear reactions. Reactions proceeding on targets from Te and HfO{sub 2} of natural isotopic composition and leading to the formation of {sup 124}Sb and {sup 177}Lu have small yields and are hardly appropriate for the photoproduction of these radioisotopes even in the case of enriched targets.

  14. 3d-4f spin interaction and field-induced metamagnetism in RCrO{sub 4} (R?=?Ho, Gd, Lu) compounds

    SciTech Connect (OSTI)

    Midya, A.; Khan, N.; Bhoi, D.; Mandal, P.

    2014-05-07

    We observe that the zircon-type RCrO{sub 4} (R?=?Ho, Gd, Lu) compounds exhibit complicated magnetic properties and large magnetic entropy change due to the strong competition between ferromagnetic and antiferromagnetic interactions. For a field change of 7?T, the maximum values of entropy change and refrigerant capacity reach 28?J?kg{sup ?1}?K{sup ?1} and 740?J?kg{sup ?1}, respectively, for GdCrO{sub 4} whereas the corresponding values for HoCrO{sub 4} are 29?J?kg{sup ?1}?K{sup ?1} and 550?J?kg{sup ?1}. For GdCrO{sub 4} compound, the magnetic entropy change is quite large even at low temperatures well below the ferromagnetic transition.

  15. Intermediate valence in single crystals of (Lu{sub 1?x}Y b{sub x}){sub 3}Rh{sub 4}Ge{sub 13} (0 ? x ? 1)

    SciTech Connect (OSTI)

    Rai, Binod K.; Morosan, E.

    2015-04-01

    Single crystals of (Lu{sub 1?x}Y b{sub x}){sub 3}Rh{sub 4}Ge{sub 13} were characterized by magnetization, specific heat, and electrical resistivity measurements. Doping Yb into the non-magnetic Lu{sub 3}Rh{sub 4}Ge{sub 13} compound tunes this cubic systems properties from a superconductor with disordered metal normal state (x < 0.05) to a Kondo for 0.05 ? x ?0.2 and intermediate valence at the highest Yb concentrations. The evidence for intermediate Yb valence comes from a broad maximum in the magnetic susceptibility and X-ray photoelectron spectroscopy. Furthermore, the resistivity displays a local maximum at finite temperatures at intermediate compositions x, followed by apparent metallic behavior closest to the Yb end compound in the series.

  16. Synthesis, properties and phase transitions of pyrochlore- and fluorite-like Ln{sub 2}RMO{sub 7} (Ln = Sm, Ho; R = Lu, Sc; M = Nb, Ta)

    SciTech Connect (OSTI)

    Shlyakhtina, A.V.; Belov, D.A.; Pigalskiy, K.S.; Shchegolikhin, A.N.; Kolbanev, I.V.; Karyagina, O.K.

    2014-01-01

    Graphical abstract: Temperature dependences of bulk conductivity for Sm{sub 2}ScTaO{sub 7} pyrochlore prepared at (1) 1400 °C, 20 h; and (2) 1200 °C, 40 h. - Highlights: • The phase formation of Ln{sub 2}RMO{sub 7} (Ln = Sm, Ho; R = Lu, Sc; M = Nb, Ta) at 1200–1600 °C. • The bulk conductivity and magnetic susceptibility were measured. • The bulk conductivity of Sm{sub 2}ScTaO{sub 7} has oxygen ion type at T ≥ 750 °C. • The first-order structural phase transition was observed in Sm{sub 2}ScTaO{sub 7} at ∼650–700 °C. • This phase transformation is not typical for defect fluorites. - Abstract: We have studied the new compounds with fluorite-like (Ho{sub 2}RNbO{sub 7} (R = Lu, Sc)) and pyrochlore-like (Sm{sub 2}ScTaO{sub 7}) structure as potential oxide ion conductors. The phase formation process (from 1200 to 1600 °C) and physical properties (electrical, thermo mechanical, and magnetic) for these compounds were investigated. Among the niobate materials the highest bulk conductivity is offered by the fluorite-like Ho{sub 2}ScNbO{sub 7} synthesized at 1600 °C: 3.8 × 10{sup −5} S/cm at 750 °C, whereas in Sm system the highest bulk conductivity, 7.3 × 10{sup −6} S/cm at 750 °C, is offered by the pyrochlore Sm{sub 2}ScTaO{sub 7} synthesized at 1400 °C. In Sm{sub 2}ScTaO{sub 7} pyrochlore we have observed the first-order phase transformation at ∼650–700 °C is related to rearrangement process in the oxygen sublattice of the pyrochlore structure containing B-site cations in different valence state and actually is absent in the defect fluorites. The two holmium niobates show Curie–Weiss paramagnetic behavior, with the prevalence of antiferromagnetic coupling. The magnetic susceptibility of Sm{sub 2}ScTaO{sub 7} is a weak function of temperature, corresponding to Van Vleck paramagnetism.

  17. Crystal Chemistry and Luminescence of Ce3+ -Doped Lu2CaMg2(Si,Ge)3O12 and Its Use in LED Based Lighting

    SciTech Connect (OSTI)

    Setlur,A.; Heward, W.; Gao, Y.; Srivastava, A.; Chandron, R.; Shankar, M.

    2006-01-01

    In this paper, we describe the formation and luminescence of a new garnet phosphor for light emitting diode (LED) based lighting, Lu{sub 2}CaMg{sub 2}(Si,Ge){sub 3}O{sub 12}:Ce{sup 3+}.The regions for garnet phase formation are initially described with respect to larger rare earth substitution and show reasonable correlation to previous crystal chemistry studies for the garnet parent structure. While the pure silicate phosphor also has apatite second phases, a significant amount of Ce{sup 3+} enters the garnet phase, giving Ce{sup 3+} luminescence that is significantly redder when compared to typical Al{sup 3+} garnet phosphors with quantum efficiencies comparable to commercial Ce{sup 3+} garnet phosphors. Potential reasons for the emission red shift and the high quantum efficiency are discussed. Finally, the performance of these new phosphors is tested within LED based lamps. Lamps using these phosphors can reach color temperatures required for general illumination lighting and also have comparable phosphor conversion efficiencies when compared to lamps using typical garnet phosphors.

  18. Discussion on 'characteristics of fly ashes from full-scale coal-fired power plants and their relationship to mercury adsorption' by Lu et al.

    SciTech Connect (OSTI)

    James C. Hower; Bruno Valentim; Irena J. Kostova; Kevin R. Henke

    2008-03-15

    Mercury capture by coal-combustion fly ash is a function of the amount of Hg in the feed coal, the amount of carbon in the fly ash, the type of carbon in the fly ash (including variables introduced by the rank of the feed coal), and the flue gas temperature at the point of ash collection. In their discussion of fly ash and Hg adsorption, Lu et al. (Energy Fuels 2007, 21, 2112-2120) had some fundamental flaws in their techniques, which, in turn, impact the validity of analyzed parameters. First, they used mechanical sieving to segregate fly ash size fractions. Mechanical sieving does not produce representative size fractions, particularly for the finest sizes. If the study samples were not obtained correctly, the subsequent analyses of fly ash carbon and Hg cannot accurately represent the size fractions. In the analysis of carbon forms, it is not possible to accurately determine the forms with scanning electron microscopy. The complexity of the whole particles is overlooked when just examining the outer particle surface. Examination of elements such as Hg, present in very trace quantities in most fly ashes, requires careful attention to the analytical techniques. 36 refs., 3 figs., 1 tab.

  19. IUPAC-NIST Solubility Data Series. 100. Rare Earth Metal Fluorides in Water and Aqueous Systems. Part 3. Heavy Lanthanides (GdLu)

    SciTech Connect (OSTI)

    Mioduski, Tomasz; Gumi?ski, Cezary; Zeng, Dewen

    2015-06-15

    This is the third part of the volume devoted to solubility data for the rare earth metal (REM) fluorides in water and in aqueous ternary and multicomponent systems. It covers experimental results of trivalent fluorides of Gd, Tb, Dy, Ho, Er, Tm, Yb, and Lu (so-called heavy lanthanides), since no quantitative data on solubilities of TbF{sub 4} and YbF{sub 2} (the most stable compounds at these valencies) are available. The related literature has been covered through the end of 2014. Compilations of all available papers with the solubility data are introduced for each REM fluoride with a corresponding critical evaluation. Every such assessment contains a collection of all solubility results in aqueous solution, a selection of suggested solubility data, a solubility equation, and a brief discussion of the multicomponent systems. Only simple fluorides (no complexes or double salts) are treated as the input substances in this report. General features of the systems, such as nature of the equilibrium solid phases, solubility as a function of temperature, influence of ionic strength, solution pH, mixed solvent medium on the solubility, quality of the solubility results, and the solubility as a function of REM atomic number, have already been presented in Part 1 of the volume.

  20. Synchrotron X-ray diffraction and Raman spectroscopy of Ln{sub 3}NbO{sub 7} (Ln=La, Pr, Nd, Sm-Lu) ceramics obtained by molten-salt synthesis

    SciTech Connect (OSTI)

    Siqueira, K.P.F.; Soares, J.C.; Granado, E.; Bittar, E.M.; Paula, A.M. de; Moreira, R.L.; Dias, A.

    2014-01-15

    Ln{sub 3}NbO{sub 7} (Ln=La, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, and Lu) ceramics were obtained by molten-salt synthesis and their structures were systematically investigated by synchrotron X-ray diffraction (SXRD), second harmonic generation (SHG) and Raman spectroscopy. It was observed that ceramics with the largest ionic radii (La, Pr, Nd) crystallized into the Pmcn space group, while the ceramics with intermediate ionic radii (Sm-Gd) exhibited a different crystal structure belonging to the Ccmm space group. For this last group of ceramics, this result was corroborated by SHG and Raman scattering and ruled out any possibility for the non-centrosymmetric C 222{sub 1} space group, solving a recent controversy in the literature. Finally, according to SXRD, Tb-Lu containing samples exhibited an average defect fluorite structure (Fm3{sup ¯}m space group). Nonetheless, broad scattering at forbidden Bragg reflections indicates the presence of short-range domains with lower symmetry. Vibrational spectroscopy showed the presence of six Raman-active modes, inconsistent with the average cubic fluorite structure, and in line with the existence of lower-symmetry nano-domains immersed in the average fluorite structure of these ceramics. - Graphical abstract: Raman spectrum for Sm{sub 3}NbO{sub 7} ceramics showing their 27 phonon modes adjusted through Lorentzian lines. According to synchrotron X-ray diffraction and Raman scattering, this material belongs to the space group Cmcm. Display Omitted - Highlights: • Ln{sub 3}NbO{sub 7} ceramics were obtained by molten-salt synthesis. • SXRD, SHG and Raman scattering confirmed orthorhombic and cubic structures. • Ccmm instead of C222{sub 1} is the correct structure for Sm–Gd ceramics. • Pmcn space group was confirmed for La-, Pr- and Nd-based ceramics. • For Tb–Lu ceramics, ordered domains of a pyrochlore structure were observed.

  1. Zifeng Lu | Argonne National Laboratory

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    and tropospheric ozone assessment and the UNECE report on hemispheric transport of air pollution (HTAP). Telephone 630-252-9853 Fax 630-252-8007 E-mail zlu@anl.gov Website Google ...

  2. Monodisperse and core-shell structured SiO{sub 2}-Lu{sub 2}O{sub 3}:Ln{sup 3+} (Ln=Eu, Tb, Dy, Sm, Er, Ho, and Tm) spherical particles: A facile synthesis and luminescent properties

    SciTech Connect (OSTI)

    Xu, Zhenhe; Feng, Bin; Bian, Shasha; Liu, Tao; Wang, Mingli; Gao, Yu; Sun, Di; Gao, Xin; Sun, Yaguang

    2012-12-15

    The core-shell structured SiO{sub 2}-Lu{sub 2}O{sub 3}:Ln{sup 3+} particles were realized by coating the Lu{sub 2}O{sub 3}:Ln{sup 3+} phosphors onto the surface of non-aggregated, monodisperse and spherical SiO{sub 2} particles by the Pechini sol-gel method. The as-synthesized products were characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), energy-dispersive X-ray (EDX) spectra, scanning electron microscopy (SEM), transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HRTEM), photolumiminescence (PL), and low-voltage cathodoluminescence (CL). The results indicate that the 800 Degree-Sign C annealed sample consists of crystalline Lu{sub 2}O{sub 3} shells and amorphous SiO{sub 2} cores, in spherical shape with a narrow size distribution. The as-obtained particles show strong light emission with different colors corresponding to different Ln{sup 3+} ions under ultraviolet-visible light excitation and low-voltage electron beams excitation, which have potential applications in fluorescent lamps and field emission displays. - Graphical Abstract: Representative SEM and TEM images of the core-shell structured SiO{sub 2}-Lu{sub 2}O{sub 3}:Eu{sup 3+} particles; CIE chromaticity diagram showing the emission colors for SiO{sub 2}-Lu{sub 2}O{sub 3}:Ln{sup 3+}; Multicolor emissions of SiO{sub 2}-Lu{sub 2}O{sub 3}:Ln{sup 3+} particles. Highlights: Black-Right-Pointing-Pointer The core-shell particles were realized by coating the phosphors onto the surface of SiO{sub 2} particles. Black-Right-Pointing-Pointer The sample consists of crystalline Lu{sub 2}O{sub 3} shells and amorphous SiO{sub 2} cores. Black-Right-Pointing-Pointer The particles show different light emission colors corresponding to Ln{sup 3+} ions. Black-Right-Pointing-Pointer They have potential applications in fluorescent lamps and field emission displays.

  3. Structural and magnetic properties of pyrochlore solid solutions (Y,Lu){sub 2}Ti{sub 2-x}(Nb,Ta){sub x}O{sub 7{+-}}{sub y}

    SciTech Connect (OSTI)

    West, D.V. McQueen, T.M.; Huang, Q.; Cava, R.J.

    2008-08-15

    The synthesis and characterization of the pyrochlore solid solutions, Y{sub 2}Ti{sub 2-x}Nb{sub x}O{sub 7-y}, Lu{sub 2}Ti{sub 2-x}Nb{sub x}O{sub 7-y}, Y{sub 2}Ti{sub 2-x}Ta{sub x}O{sub 7-y} and Lu{sub 2}TiTaO{sub 7-y} (-0.4Lu){sub 2}Ti{sub 2-x}(Nb,Ta){sub x}O{sub 7{+-}}{sub y} under high vacuum at 1600 deg. C results in oxygen deficient, paramagnetic compounds with reduced B-site cations. Studies indicate Ti{sup 3+} as the source of the localized moments, with no evidence for localized Nb{sup 4+} moments. Annealing under O{sub 2} results in fully oxidized, oxygen excess pyrochlores as white powders. Powder neutron diffraction studies show the excess oxygen on the normally vacant 8a site.

  4. ESR of Gd{sup 3+} in the Kondo-lattice compound YbAgCu{sub 4} and its reference compounds RAgCu{sub 4} (R=Y,Lu)

    SciTech Connect (OSTI)

    Pagliuso, P.G.; Rettori, C.; Oseroff, S.B.; Sarrao, J.; Fisk, Z.; Cornelius, A.; Hundley, M.F.

    1997-10-01

    Low-temperature (T{lt}30thinspK) electron-spin-resonance (ESR) experiments of Gd{sup 3+} diluted in the Kondo-lattice compound YbAgCu{sub 4} and its reference compounds YAgCu{sub 4} and LuAgCu{sub 4} are interpreted in terms of an enhanced density of states at the Fermi level for the Yb-based compound. The results of susceptibility and ESR (Korringa rate and g-shift) measurements show negligible electron-electron exchange enhancement for all the studied compounds. The exchange interaction between the Gd{sup 3+} local moment and the conduction electrons (c-e) is c-e wave vector dependent in all three compounds. {copyright} {ital 1997} {ital The American Physical Society}

  5. Study of 57 Fe Mössbauer effect in RFe2Zn20 ( R = Lu, Yb, Gd)

    SciTech Connect (OSTI)

    Bud’ko, Sergey L.; Kong, Tai; Ma, Xiaoming; Canfield, Paul C.

    2015-08-04

    In this document we report measurements of 57Fe Mössbauer spectra for RFe2Zn20 (R = Lu, Yb, Gd) from ~ 4.5 K to room temperature. The obtained isomer shift values are very similar for all three compounds, their temperature dependence was analyzed within the Debye model and resulted in an estimate of the Debye temperatures of 450-500 K. The values of quadrupole splitting at room temperature change with the cubic lattice constant a in a linear fashion. For GdFe2Zn20, ferromagnetic order is seen as an appearance of a sextet in the spectra. The 57Fe site hyperfine field for T → 0 was evaluated to be ~ 2.4 T.

  6. Study of 57 Fe Mssbauer effect in RFe2Zn20 ( R = Lu, Yb, Gd)

    SciTech Connect (OSTI)

    Budko, Sergey L.; Kong, Tai; Ma, Xiaoming; Canfield, Paul C.

    2015-08-04

    In this document we report measurements of 57Fe Mssbauer spectra for RFe2Zn20 (R = Lu, Yb, Gd) from ~ 4.5 K to room temperature. The obtained isomer shift values are very similar for all three compounds, their temperature dependence was analyzed within the Debye model and resulted in an estimate of the Debye temperatures of 450-500 K. The values of quadrupole splitting at room temperature change with the cubic lattice constant a in a linear fashion. For GdFe2Zn20, ferromagnetic order is seen as an appearance of a sextet in the spectra. The 57Fe site hyperfine field for T ? 0 was evaluated to be ~ 2.4 T.

  7. New rare-earth metal germanides with bismuth substitution. Synthesis, structural variations, and magnetism of the RE[Bi{sub x}Ge{sub 1-x}]{sub 2} (RE=Y, Pr, Nd, Sm, Gd-Tm, Lu) compounds

    SciTech Connect (OSTI)

    Zhang, Jiliang; Hmiel, Benjamin; Antonelli, Anthony; Tobash, Paul H.; Bobev, Svilen; Saha, Shanta; Kirshenbaum, Kevin; Greene, Richard L.; Paglione, Johnpierre

    2012-12-15

    Single-crystals of the novel rare-earth metal-bismuth digermanides with idealized formula RE[Bi{sub x}Ge{sub 1-x}]{sub 2} (RE=Y, Pr, Nd, Sm, Gd-Tm, Lu; x<0.16(1)) have been obtained using the Bi-flux technique. Their structures have been established by single-crystal X-ray diffraction; they can be divided into three classes, closely related to the ZrSi{sub 2} structure with the space group Cmcm (no. 63). The structural relationship and the variations with the type of the rare-earth metal have been explored and discussed. Temperature-dependent magnetization measurements on the single-crystals reveal magnetic behavior, which have been rationalized based on the mean-field theory. At cryogenic temperatures, the localized 4f electrons in most of the compounds exhibit antiferromagnetic ordering, mediated by the conduction electrons via Ruderman-Kittel-Kasuya-Yosida (RKKY) exchange interactions. - Graphical abstract: This paper details the synthesis and the structural characterization of an extended series of rare-earth metal-bismuth-germanides RE[Bi{sub x}Ge{sub 1-x}]{sub 2} (RE=Y, Pr-Sm, Gd-Tm, Lu). They crystallize with the same extended symmetry (space group Cmcm), but with three distinct structures, which are closely related. Magnetization measurements show low-temperature antiferromagnetic ordering. RE[Bi{sub x}Ge{sub 1-x}]{sub 2} are the first compounds between these elements. Highlights: Black-Right-Pointing-Pointer RE[Bi{sub x}Ge{sub 1-x}]{sub 2} (RE=rare-earth metal) are the first compounds of the respective elements. Black-Right-Pointing-Pointer Their structures are closely related. Black-Right-Pointing-Pointer Three structures can be distinguished based on the packing of the REGe{sub 6} triangular prisms. Black-Right-Pointing-Pointer All compounds show low-temperature antiferromagnetic ordering.

  8. Absolute NMR shielding scales and nuclear spin–rotation constants in {sup 175}LuX and {sup 197}AuX (X = {sup 19}F, {sup 35}Cl, {sup 79}Br and {sup 127}I)

    SciTech Connect (OSTI)

    Demissie, Taye B. Komorovsky, Stanislav; Repisky, Michal; Ruud, Kenneth; Jaszuński, Michał

    2015-10-28

    We present nuclear spin–rotation constants, absolute nuclear magnetic resonance (NMR) shielding constants, and shielding spans of all the nuclei in {sup 175}LuX and {sup 197}AuX (X = {sup 19}F, {sup 35}Cl, {sup 79}Br, {sup 127}I), calculated using coupled-cluster singles-and-doubles with a perturbative triples (CCSD(T)) correction theory, four-component relativistic density functional theory (relativistic DFT), and non-relativistic DFT. The total nuclear spin–rotation constants determined by adding the relativistic corrections obtained from DFT calculations to the CCSD(T) values are in general in agreement with available experimental data, indicating that the computational approach followed in this study allows us to predict reliable results for the unknown spin–rotation constants in these molecules. The total NMR absolute shielding constants are determined for all the nuclei following the same approach as that applied for the nuclear spin–rotation constants. In most of the molecules, relativistic effects significantly change the computed shielding constants, demonstrating that straightforward application of the non-relativistic formula relating the electronic contribution to the nuclear spin–rotation constants and the paramagnetic contribution to the shielding constants does not yield correct results. We also analyze the origin of the unusually large absolute shielding constant and its relativistic correction of gold in AuF compared to the other gold monohalides.

  9. 57Fe Mössbauer study of Lu2Fe3Si5 iron silicide superconductor

    SciTech Connect (OSTI)

    Ma, Xiaoming; Ran, Sheng; Pang, Hua; Li, Fashen; Canfield, Paul C.; Bud'ko, Sergey L.

    2015-03-28

    With the advent of Fe–As based superconductivity it has become important to study how superconductivity manifests itself in details of 57Fe Mössbauer spectroscopy of conventional, Fe-bearing superconductors. The iron-based superconductor Lu2Fe3Si5 has been studied by 57Fe Mössbauer spectroscopy over the temperature range from 4.4 K to room temperature with particular attention to the region close to the superconducting transition temperature (Tc=6.1 K). Furthermore, consistent with the two crystallographic sites for Fe in this structure, the observed spectra appear to have a pattern consisting of two doublets over the whole temperature range. The value of Debye temperature was estimated from temperature dependence of the isomer shift and the total spectral area and compared with the specific heat capacity data. As a result, neither abnormal behavior of the hyperfine parameters at or near Tc, nor phonon softening were observed.

  10. Pressure dependence of electronic states in secondary explosives...

    Office of Scientific and Technical Information (OSTI)

    Abstract not provided. Authors: Farrow, Darcie ; Kohl, Ian Thomas ; Fan, Hongyou ; Knepper, Robert ; Marquez, Michael P. ; Kearney, Sean Patrick ; Kay, Jeffrey J Publication Date: ...

  11. Templated photocatalytic synthesis of well-defined Pt hollow...

    Office of Scientific and Technical Information (OSTI)

    Abstract not provided. Authors: Fan, Hongyou ; Bai, Feng ; Wu, Huimeng ; Xiao, Xiaoyin ; Haddadd, Raid ; Sun, Zaicheng Publication Date: 2011-03-01 OSTI Identifier: 1109053 Report ...

  12. Preparation and spectroscopic properties of rare-earth (RE) (RE = Sm, Eu, Tb, Dy, Tm)-activated K{sub 2}LnZr(PO{sub 4}){sub 3} (Ln = Y, La, Gd and Lu) phosphate in vacuum ultraviolet region

    SciTech Connect (OSTI)

    Zhang, Zhi-Jun; Lin, Xiao; Graduate School of Chinese Academy of Science, Beijing, 100039 ; Zhao, Jing-Tai; Zhang, Guo-Bin

    2013-02-15

    Graphical abstract: Display Omitted Highlights: ? We report the VUV spectroscopic properties of rare-earth ions in K{sub 2}LnZr(PO{sub 4}){sub 3}. ? The O{sup 2?}-Eu{sup 3+} charge transfer bands at about 220 nm have been observed. ? The 4f5d spin-allowed and spin-forbidden transitions of Tb{sup 3+} have been observed. ? There is energy transfer between the host and rare-earth activators. -- Abstract: Rare earth (RE = Sm, Eu, Tb, Dy and Tm)-activated K{sub 2}LnZr(PO{sub 4}){sub 3} (Ln = Y, La, Gd and Lu) have been synthesized by solid-state reaction method, and their vacuum ultraviolet (VUV) excitation luminescent characteristics have been investigated. The band in the wavelength range of 130157 nm and the other one range from 155 to 216 nm with the maximum at about 187 nm in the VUV excitation spectra of these compounds are attributed to the host lattice absorption and OZr charge transfer transition, respectively. The charge transfer bands (CTB) of O{sup 2?}-Sm{sup 3+}, O{sup 2?}-Dy{sup 3+} and O{sup 2?}-Tm{sup 3+}, in Sm{sup 3+}, Dy{sup 3+} and Tm{sup 3+}-activated samples, have not been obviously observed probably because the 2p electrons of oxygen are tightly bound to the zirconium ion in the host lattice. For Eu{sup 3+}-activated samples, the relatively weak O{sup 2?}-Eu{sup 3+} CTB at about 220 nm is observed. And for Tb{sup 3+}-activated samples, the bands at 223 and 258 nm are related to the 4f-5d spin-allowed and spin-forbidden transitions of Tb{sup 3+}, respectively. It is observed that there is energy transfer between the host lattice and the luminescent activators (e.g. Eu{sup 3+}, Tb{sup 3+}). From the standpoint of luminescent efficiency, color purity and chemical stability, K{sub 2}GdZr(PO{sub 4}){sub 3}:Sm{sup 3+}, Eu{sup 3+}, Tb{sup 3+} are attractive candidates for novel yellow, red, green-emitting PDP phosphors.

  13. Syntheses, structure and rare earth metal photoluminescence of new and known isostructural A{sub 2}Mo{sub 4}Sb{sub 2}O{sub 18} (A=Ce, Pr, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu) compounds

    SciTech Connect (OSTI)

    Mohitkar, Shrikant A.; Kalpana, G.; Vidyasagar, K.

    2011-04-15

    Nine new A{sub 2}Mo{sub 4}Sb{sub 2}O{sub 18} (A=Ce, Pr, Eu, Tb, Ho, Er, Tm, Yb, Lu) compounds have been synthesized by solid-state reactions. They are isostructural with six reported analogues of yttrium and other lanthanides and the monoclinic unit cell parameters of all fifteen of them vary linearly with the size of A{sup 3+} ion. Single crystal X-ray structures of eight A{sub 2}Mo{sub 4}Sb{sub 2}O{sub 18} (A=Ce, Pr, Eu, Gd, Tb, Ho, Er, Tm) compounds have been determined. Neat A{sub 2}Mo{sub 4}Sb{sub 2}O{sub 18} (A=Pr, Sm, Eu, Tb, Dy, Ho, Er, Tm) compounds exhibit characteristic rare earth metal photoluminescence. -- Graphical abstract: Among the fifteen isostructural A{sub 2}Mo{sub 4}Sb{sub 2}O{sub 18} (A=rare earth metal) molybdoantimonites, eight (A=Pr, Sm, Eu, Tb, Dy, Ho, Er, Tm) compounds exhibit neat characteristic lanthanide photoluminescence in the 200-800 nm range at room temperature. Display Omitted Research highlights: {yields} Syntheses of nine new A{sub 2}Mo{sub 4}Sb{sub 2}O{sub 18} (A=Ce, Pr, Eu, Tb, Ho, Er, Tm, Yb, Lu) compounds. {yields} X-ray structures of eight A{sub 2}Mo{sub 4}Sb{sub 2}O{sub 18} (A=Ce, Pr, Eu, Gd, Tb, Ho, Er, Tm) compounds. {yields} Photoluminescence of neat A{sub 2}Mo{sub 4}Sb{sub 2}O{sub 18} (A=Pr, Sm, Eu, Tb, Dy, Ho, Er, Tm) compounds.

  14. On phase equilibria and crystal structures in the systems Ce-Pd-B and Yb-Pd-B. Physical properties of R{sub 2}Pd{sub 13.6}B{sub 5} (R=Yb, Lu)

    SciTech Connect (OSTI)

    Sologub, Oksana; Rogl, Peter; Salamakha, Leonid; Bauer, Ernst; Hilscher, Gerfried; Michor, Herwig; Giester, Gerald

    2010-05-15

    Phase equilibria and crystal structures of ternary compounds were determined in the systems Ce-Pd-B and Yb-Pd-B at 850 deg. C in the concentration ranges up to 45 and 33 at% of Ce and Yb, respectively, employing X-ray single crystal and powder diffraction. Phase relations in the Ce-Pd-B system at 850 deg. C are governed by formation of extended homogeneity fields, tau{sub 2}-CePd{sub 8}B{sub 2-x} (0.10Lu{sub 2}Pd{sub 14}B{sub 5} were determined from X-ray Rietveld refinements and found to be closely related to the Y{sub 2}Pd{sub 14}B{sub 5}-type (I4{sub 1}/amd). The crystal structure of

  15. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    ... Jilek, Brook Anton (8) Urayama, Junji (7) Knepper, Robert (5) Fan, Hongyou (2) Kay, Jeffrey J (2) Law, Ryan (2) Marquez, Michael P. (2) Nelson, Thomas R. (2) Radtke, Gregg Arthur ...

  16. Asian American Engineer of the Year honors three Sandia Employees

    Energy.gov [DOE]

    Hongyou Fan, Ming Lau and Rekha Rao, scientists at Sandia National Laboratories, have received the Asian American Engineer of the Year Award (AAEOY), Sandia reported today. They are among 19 people...

  17. A proposal for positive cooperativity in anion-cation binding in yttrium and lutetium complexes based on o-amino-substituted phenolate ligands. On the way to coordination polymers by self-assembly. Molecular structures of [ClLu(OAr){sub 3}Na] (X-ray) and [ClY(OAr{prime}){sub 3}Y(OAr{prime}){sub 3}Na] (X-ray and {sup 89}Y-NMR)

    SciTech Connect (OSTI)

    Hogerheide, M.P.; Ringelberg, S.N.; Grove, D.M.

    1996-02-28

    The authors prepared the hetero(poly)metallic complexes [ClM(OAr){sub 3}Na] (M = Lu (3a), Y (3b)) and [ClY(OAr`){sub 3}Y(OAR`){sub 3}Na] (4) (OAr = OC{sub 6}H{sub 2}(CH{sub 2}NMe{sub 2}){sub 2}-2,6,Me-4; OAr` = OC{sub 6}H{sub 4}(CH{sub 2}NMe{sub 2})-2). Structural analysis was afforded by NMR spectroscopy and X-ray diffraction. The structures show evidence for anion-cation cooperativity in bonding and are discussed in detail for the compounds in both the solid state and in solution.

  18. Synthesis, crystal structure and properties of Mg{sub 3}B{sub 36}Si{sub 9}C and related rare earth compounds RE{sub 3−x}B{sub 36}Si{sub 9}C (RE=Y, Gd–Lu)

    SciTech Connect (OSTI)

    Ludwig, Thilo; Pediaditakis, Alexis; Sagawe, Vanessa; Hillebrecht, Harald

    2013-08-15

    We report on the synthesis and characterisation of Mg{sub 3}B{sub 36}Si{sub 9}C. Black single crystals of hexagonal shape were yielded from the elements at 1600 °C in h-BN crucibles welded in Ta ampoules. The crystal structure (space group R3{sup ¯}m, a=10.0793(13) Å, c=16.372(3) Å, 660 refl., 51 param., R{sub 1}(F)=0.019; wR{sub 2}(F{sup 2})=0.051) is characterized by a Kagome-net of B{sub 12} icosahedra, ethane like Si{sub 8}-units and disordered SiC-dumbbells. Vibrational spectra show typical features of boron-rich borides and Zintl phases. Mg{sub 3}B{sub 36}Si{sub 9}C is stable against HF/HNO{sub 3} and conc. NaOH. The micro-hardness is 17.0 GPa (Vickers) and 14.5 GPa (Knoop), respectively. According to simple electron counting rules Mg{sub 3}B{sub 36}Si{sub 9}C is an electron precise compound. Band structure calculations reveal a band gap of 1.0 eV in agreement to the black colour. Interatomic distances obtained from the refinement of X-ray data are biased and falsified by the disorder of the SiC-dumbbell. The most evident structural parameters were obtained by relaxation calculation. Composition and carbon content were confirmed by WDX measurements. The small but significant carbon content is necessary by structural reasons and frequently caused by contaminations. The rare earth compounds RE{sub 3−x}B{sub 36}Si{sub 9}C (RE=Y, Dy–Lu) are isotypic. Single crystals were grown from a silicon melt and their structures refined. The partial occupation of the RE-sites fits to the requirements of an electron-precise composition. According to the displacement parameters a relaxation should be applied to obtain correct structural parameters. - Graphical abstract: Single crystals of the new boridesilicide Mg{sub 3}B{sub 36}Si{sub 9}C were obtained from the elements in a Si-melt. Besides B{sub 12}-icosahedra and ethan-like Si{sub 8}-units it contains a disordered SiC-dumbbell. Correct distances were obtained by relaxation calculation based on the X-ray data

  19. Piezo-/dielectric properties of perovskite-structure high-temperature relaxor ferroelectrics: The Pb(Lu{sub 1/2}Nb{sub 1/2})O{sub 3}–Pb(Zn{sub 1/3}Nb{sub 2/3})O{sub 3}–PbTiO{sub 3} ternary ceramics

    SciTech Connect (OSTI)

    Li, Tao; Long, Xifa

    2014-03-01

    Graphical abstract: - Highlights: • Pb(Zn{sub 1/3}Nb{sub 2/3})O{sub 3}-based ternary ferroelectric ceramics were prepared by solid-state synthesis method. • Morphotropic phase boundary region has been determined by XRD, di-/piezoelectric properties. • The compositions near MPB region exhibit excellent piezoelectric properties. - Abstract: A new compositional system of relaxor ferroelectrics was investigated based on the high piezoelectricity Pb(Zn{sub 1/3}Nb{sub 2/3})O{sub 3}–PbTiO{sub 3} ferroelectric perovskite family. Compositions were fabricated near an estimated morphotropic phase boundary (MPB) of the Pb(Lu{sub 1/2}Nb{sub 1/2})O{sub 3}–Pb(Zn{sub 1/3}Nb{sub 2/3})O{sub 3}–PbTiO{sub 3} (PLZNT) ternary system by a two-step synthetic process. Their structures have been analyzed by means of X-ray diffraction technique. On the basis of X-ray powder diffraction, the morphotropic phase boundary (MPB) region for the ternary system was obtained. The Curie temperature T{sub C} of ternary system varied from 240 °C to 330 °C and the coercive fields E{sub c}s > 10 kV/cm. The values of piezoelectric coefficients d{sub 33} vary in the range of 260–450 pC/N with different PZN contents. It is worth noting that the optimum compositions were located at MPB region but near the tetragonal phase. The new PLZNT ceramics exhibit wider range of T{sub C}s and E{sub c}s, making it a promising material for high-powder ultrasound transducers using in a large temperature range.

  20. China Energy Databook -- User Guide and Documentation, Version 7.0

    SciTech Connect (OSTI)

    Fridley, Ed., David; Aden, Ed., Nathaniel; Lu, Ed., Hongyou; Zheng, Ed., Nina

    2008-10-01

    Since 2001, China's energy consumption has grown more quickly than expected by Chinese or international observers. This edition of the China Energy Databook traces the growth of the energy system through 2006. As with version six, the Databook covers a wide range of energy-related information, including resources and reserves, production, consumption, investment, equipment, prices, trade, environment, economy, and demographic data. These data provide an extensive quantitative foundation for understanding China's growing energy system. In addition to providing updated data through 2006, version seven includes revised energy and GDP data back to the 1990s. In the 2005 China Energy Statistical Yearbook, China's National Bureau of Statistics (NBS) published revised energy production, consumption, and usage data covering the years 1998 to 2003. Most of these revisions related to coal production and consumption, though natural gas data were also adjusted. In order to accommodate underestimated service sector growth, the NBS also released revised GDP data in 2005. Beyond the inclusion of historical revisions in the seventh edition, no attempt has been made to rectify known or suspected issues in the official data. The purpose of this volume is to provide a common basis for understanding China's energy system. In order to broaden understanding of China's energy system, the Databook includes information from industry yearbooks, periodicals, and government websites in addition to data published by NBS. Rather than discarding discontinued data series, information that is no longer possible to update has been placed in C section tables and figures in each chapter. As with previous versions, the data are presented in digital database and tabular formats. The compilation of updated data is the result of tireless work by Lu Hongyou and Nina Zheng.

  1. Dense LU Factorization on Multicore Supercomputer Nodes (Conference...

    Office of Scientific and Technical Information (OSTI)

    factorization's memory hierarchy contention on now-ubiquitous multi-core architectures. ... During active panel factorization, rank-1 updates stream through memory with minimal ...

  2. Sandia National Laboratories: Research: Bioscience

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Bioscience Bioscience Biofuels Biodefense Enabling Capabilities Partnership Opportunities Bioscience Leadership Computing and Information Science Engineering Science Geoscience Materials Science Nanodevices and Microsystems Radiation Effects and High Energy Density Science Research Bioscience Overcoming challenges to make advanced "drop-in" biofuels a reality Aries Biothreat detection Hongyou Fan Novel medical diagnostics and therapeutics Biological solutions to critical energy and

  3. Sandia National Laboratories: Research: Materials Science

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Materials Science Bioscience Computing and Information Science Electromagnetics Engineering Science Geoscience Materials Science About Materials Science Research Image Gallery Video Gallery Facilities Nanodevices and Microsystems Radiation Effects and High Energy Density Science Research Materials Science Creating materials for energy applications and defense needs Aries Applying innovative characterization and diagnostic techniques Hongyou Fan Development of new materials to support national

  4. Mechanically Stable Silver Nanostructures Synthesized via Pressure-Induced

    Office of Scientific and Technical Information (OSTI)

    Sintering of Spherical Nanoparticle Superlattices. (Journal Article) | SciTech Connect Journal Article: Mechanically Stable Silver Nanostructures Synthesized via Pressure-Induced Sintering of Spherical Nanoparticle Superlattices. Citation Details In-Document Search Title: Mechanically Stable Silver Nanostructures Synthesized via Pressure-Induced Sintering of Spherical Nanoparticle Superlattices. Abstract not provided. Authors: Fan, Hongyou ; Li, Binsong ; xiaodong wen ; ruipeng li ; junqiao

  5. SSRL BEAM PORT SCHEDULE

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    5-4 Oct. 26, 2009 Oct. 27, 2009 Oct. 28, 2009 Oct. 29, 2009 Oct. 30, 2009 Oct. 31, 2009 Nov. 01, 2009 8820* D.LU 8820* D.LU 8820* D.LU 8820* D.LU 8820* D.LU 8820* D.LU 8820* D.LU 8820* D.LU 8820* D.LU 8820* D.LU 8820* D.LU 8820* D.LU 8820* D.LU 8820* D.LU 8820* D.LU 8820* D.LU 8820* D.LU 8820* D.LU 8820* D.LU 8820* D.LU 8820* D.LU BEAM LINE 8-1 Oct. 26, 2009 Oct. 27, 2009 Oct. 28, 2009 Oct. 29, 2009 Oct. 30, 2009 Oct. 31, 2009 Nov. 01, 2009 Unscheduled Unscheduled Unscheduled Unscheduled

  6. SSRL BEAM PORT SCHEDULE

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    5-4 Nov. 15, 2010 Nov. 16, 2010 Nov. 17, 2010 Nov. 18, 2010 Nov. 19, 2010 Nov. 20, 2010 Nov. 21, 2010 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU BEAM LINE 8-1 Nov. 15, 2010 Nov. 16, 2010 Nov. 17, 2010 Nov. 18, 2010 Nov. 19, 2010 Nov. 20, 2010 Nov. 21, 2010 Unscheduled Unscheduled Unscheduled 3269 S.SUN 3269 S.SUN 3269 S.SUN 3269

  7. SSRL BEAM PORT SCHEDULE

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    5-4 Nov. 05, 2007 Nov. 06, 2007 Nov. 07, 2007 Nov. 08, 2007 Nov. 09, 2007 Nov. 10, 2007 Nov. 11, 2007 Unscheduled 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU CHANGE/8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU BEAM LINE 8-1 Nov. 05, 2007 Nov. 06, 2007 Nov. 07, 2007 Nov. 08, 2007 Nov. 09, 2007 Nov. 10, 2007 Nov. 11, 2007 8821 D.Brehmer 8821 D.Brehmer 8821 D.Brehmer 3064* S.SUN 3075

  8. SSRL BEAM PORT SCHEDULE

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    5-4 Nov. 10, 2008 Nov. 11, 2008 Nov. 12, 2008 Nov. 13, 2008 Nov. 14, 2008 Nov. 15, 2008 Nov. 16, 2008 DOWN 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU 8820 D.LU BEAM LINE 8-1 Nov. 10, 2008 Nov. 11, 2008 Nov. 12, 2008 Nov. 13, 2008 Nov. 14, 2008 Nov. 15, 2008 Nov. 16, 2008 DOWN DOWN DOWN DOWN DOWN 3064 S.SUN 3064 S.SUN DOWN DOWN DOWN DOWN VUV CHECKOUT

  9. Materials Data on Lu(BC)2 (SG:127) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  10. Materials Data on LuPPt (SG:187) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  11. Materials Data on LuBPd3 (SG:221) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  12. Materials Data on LuBRh3 (SG:221) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  13. Weigang Lu | Center for Gas SeparationsRelevant to Clean Energy...

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    EFRC Research My work focuses on Metal-Organic Frameworks (MOFs) and Porous Polymer Networks ... Hong-Cai A Route to Metal-Organic Frameworks through Framework Templating, Inorg. ...

  14. Materials Data on Lu10Ti6O27 (SG:8) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  15. Materials Data on LuSBr (SG:59) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  16. Materials Data on LuHCl (SG:166) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-04-29

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  17. Materials Data on Lu(BRh)4 (SG:68) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-18

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  18. Materials Data on Lu2Pd2Pb (SG:127) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-05-16

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  19. Materials Data on Lu(SiPd)2 (SG:139) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  20. Materials Data on LuB2Os3 (SG:191) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  1. Materials Data on Lu(SiOs)2 (SG:139) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  2. Power/Performance Trade-offs of Small Batched LU Based Solvers on GPUs

    SciTech Connect (OSTI)

    Villa, Oreste; Fatica, Massimiliano; Gawande, Nitin A.; Tumeo, Antonino

    2013-08-26

    In this paper we propose and analyze a set of batched linear solvers for small matrices on Graphic Processing Units (GPUs), evaluating the various alternatives depending on the size of the systems to solve. We discuss three different solutions that operate with different level of parallelization and GPU features. The first, exploiting the CUBLAS library, manages matrices of size up to 32x32 and employs Warp level (one matrix, one Warp) parallelism and shared memory. The second works at Thread-block level parallelism (one matrix, one Thread-block), still exploiting shared memory but managing matrices up to 76x76. The third is Thread level parallel (one matrix, one thread) and can reach sizes up to 128x128, but it does not exploit shared memory and only relies on the high memory bandwidth of the GPU. The first and second solution only support partial pivoting, the third one easily supports partial and full pivoting, making it attractive to problems that require greater numerical stability. We analyze the trade-offs in terms of performance and power consumption as function of the size of the linear systems that are simultaneously solved. We execute the three implementations on a Tesla M2090 (Fermi) and on a Tesla K20 (Kepler).

  3. Materials Data on LuRh3C (SG:221) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  4. CNMS D Jun-Qiang Lu Computer Science and Mathematics Division

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    D I I S S C C O O V V E E R R Y Y SEMINAR SERIES Abstract The pursuit of spintronics ultimately depends on our ability to steer spin currents and detect or flip their polarization. ...

  5. Materials Data on Lu2S3 (SG:122) by Materials Project

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    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  6. Materials Data on Lu2SO2 (SG:164) by Materials Project

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    Kristin Persson

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  7. Materials Data on LuB6 (SG:221) by Materials Project

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    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  8. MueLu User's Guid for Trilinos Version 11.12.

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    Hu, Jonathan J.; Prokopenko, Andrey; Wiesner, Tobias A.; Siefert, Christopher; Tuminaro, Raymond S.

    2014-10-01

    This is the official user guide for the M UE L U multigrid library in Trilinos version 11.12. This guide provides an overview of M UE L U , its capabilities, and instructions for new users who want to start using M UE L U with a minimum of effort. Detailed information is given on how to drive M UE L U through its XML interface. Links to more advanced use cases are given. This guide gives information on how to achieve good parallel performance, as well as how to introduce new algorithms. Finally, readers will find a comprehensive listing of available M UE L U options. Any options not documented in this manual should be considered strictly experimental.

  9. Materials Data on Lu2Co3Si5 (SG:15) by Materials Project

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    Kristin Persson

    2015-03-08

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  10. Materials Data on Ba2LuIrO6 (SG:225) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  11. Materials Data on Sr2LuIrO6 (SG:14) by Materials Project

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    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  12. Materials Data on LuNiSn4 (SG:65) by Materials Project

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    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  13. Materials Data on LuNiBi (SG:216) by Materials Project

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    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  14. Materials Data on Lu6Ni2Sn (SG:71) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

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    2015-03-19

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  15. Materials Data on Lu2NiSn6 (SG:65) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  16. Materials Data on LuB6 (SG:221) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  17. Materials Data on K3Lu(PO4)2 (SG:147) by Materials Project

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    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  18. Materials Data on Sr4Lu3F17 (SG:1) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  19. Materials Data on Lu2SO2 (SG:164) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  20. Poly(N-isopropylacrylamide) (PNIPAM) Surfactant Functionalized Responsive

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    Silver Nanoparticles and Arrays. (Journal Article) | SciTech Connect Poly(N-isopropylacrylamide) (PNIPAM) Surfactant Functionalized Responsive Silver Nanoparticles and Arrays. Citation Details In-Document Search Title: Poly(N-isopropylacrylamide) (PNIPAM) Surfactant Functionalized Responsive Silver Nanoparticles and Arrays. Abstract not provided. Authors: Fan, Hongyou ; Li, Binsong ; Huber, Dale L. ; Clem, Paul Gilbert ; Detlef-M. Smilgies Publication Date: 2014-02-01 OSTI Identifier:

  1. Pressure directed assembly of new classes of multi dimensional

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    nanostructures. (Conference) | SciTech Connect Pressuredirected assembly of new classes of multidimensional nanostructures. Citation Details In-Document Search Title: Pressuredirected assembly of new classes of multidimensional nanostructures. Abstract not provided. Authors: Fan, Hongyou ; Li, Binsong ; Wu, Huimeng ; Wang, Zhongwu Publication Date: 2013-03-01 OSTI Identifier: 1314177 Report Number(s): SAND2013-2445C 516876 DOE Contract Number: AC04-94AL85000 Resource Type: Conference

  2. Pressure-Directed Assembly of New Classes of Nanocrystal Superlattices and

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  3. Search for: All records | SciTech Connect

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    Fan, Hongyou" Name Name ORCID Product Type: All Book/Monograph Conference/Event Journal Article Miscellaneous Patent Program Document Software Manual Technical Report Thesis/Dissertation Subject: Identifier Numbers: Site: All Alaska Power Administration, Juneau, Alaska (United States) Albany Research Center (ARC), Albany, OR (United States) Albuquerque Complex - NNSA Albuquerque Operations Office, Albuquerque, NM (United States) Amarillo National Resource Center for Plutonium, Amarillo, TX

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  5. Self-Assembled Multifunctional Nanostructured Coatings. (Conference) |

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  6. Stress Tuning the Properties of Optically Active One-Dimensional

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  7. Stress induced assembly of new classes of nanocrystal superlattices and

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  8. High Pressure-Induced Phase Transformation Sintering and Optical Coupling

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  9. Investigation of Quantum Dot?Quantum Dot Coupling at High Hydrostatic

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  10. Microwave-assisted synthesis of hybrid CoxNi1-x(OH)2 nanosheets: tuning the

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    composition for high performance supercapacitor. (Journal Article) | SciTech Connect Journal Article: Microwave-assisted synthesis of hybrid CoxNi1-x(OH)2 nanosheets: tuning the composition for high performance supercapacitor. Citation Details In-Document Search Title: Microwave-assisted synthesis of hybrid CoxNi1-x(OH)2 nanosheets: tuning the composition for high performance supercapacitor. Abstract not provided. Authors: Fan, Hongyou ; Li, Binsong ; Gen Chen ; Steven Liaw ; Yun Xu ; Marco

  11. Nanomaterials under Stress: A New Opportunity for Nanomaterials Synthesis

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  12. Nanomaterials under Stress: A New Opportunity for Tunable Structure and

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  13. SSRL BEAM PORT SCHEDULE

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  14. Submitting Organization Sandia National Laboratories

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    Hongyou Fan Advanced Materials Laboratory 1001 University Boulevard SE Albuquerque, NM 87106 Country: USA Phone: 505-272-7128 Fax: 505-272-7336 hfan@sandia.gov Contact Person Glenn D. Kubiak, Director Sandia National Laboratories PO Box 969 Mail Stop 9405 Livermore, CA 94551-0969 USA Phone: 925-294-3375 Fax: 925- 294-3403 kubiak@sandia.gov Joint Entry Lockheed Martin Aeronautics Mail Zone 2893, PO Box 748 City: Fort Worth, Texas 76101 USA Earl Stromberg Phone: (817) 763-7376 Fax: (817) 762-6911

  15. Instant Gelation Synthesis of 3D Porous MoS2%40C Nanocomposites for Lithium

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    Shah, Kanai S.; Higgins, William M; Van Loef, Edgar V; Glodo, Jaroslaw

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  19. ASU EFRC - Postdoctoral fellows

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    Postdoctoral fellows Barun Das Postdoctoral Fellow Bhupesh Goyal Postdoctoral fellow Jackson Megiatto Postdoctoral Fellow Lu Gan Postdoctoral fellow Matthieu Koepf Postdoctoral...

  20. Anomalous Fermi-Surface Dependent Pairing in a Self-Doped High...

    Office of Scientific and Technical Information (OSTI)

    Authors: Chen, Yulin ; Iyo, Akira ; Yang, Wanli ; Zhou, Xingjiang ; Lu, Donghui ; Eisaki, Hiroshi ; Devereaux, Thomas P. ; Hussain, Zahid ; Shen, Z.-X. ; Stanford U., Phys. Dept. ...

  1. Sulfonate-Grafted Porous Polymer Networks for Preferential CO2...

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    Sulfonate-Grafted Porous Polymer Networks for Preferential CO2 Adsorption at Low Pressure Previous Next List Weigang Lu, Daqiang Yuan, Julian Sculley, Dan Zhao, Rajamani Krishna,...

  2. Building multiple adsorption sites in porous polymer networks...

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Building multiple adsorption sites in porous polymer networks for carbon capture applications Previous Next List Weigang Lu, Wolfgang M. Verdegaal, Jiamei Yu, Perla B Balbuena,...

  3. InGaN Quantum Dot Fabrication using Quantum Size ControlledPhotoelect...

    Office of Scientific and Technical Information (OSTI)

    Authors: Fischer, Arthur Joseph ; Xiao, Xiaoyin ; Lu, Ping ; Tsao, Jeffrey Yeenien ; Wang, George T. ; Koleske, Daniel ; Subramania, Ganapathi Subramanian ; Coltrin, Michael ...

  4. Search for: All records | SciTech Connect

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    ... Have feedback or suggestions for a way to improve these results? Mixing LU and QR factorization algorithms to design high-performance dense linear algebra solvers Faverge, ...

  5. NERSC-Mar-2013.pptx

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    Sarkar (Rice) Ph.D. Students Muthu Baskaran Uday Bondhugula Jim Dinan Xiaoyang Gao Albert Hartono Justin Holewinski Sriram Krishnamoorthy Qingda Lu Mohammad Arafat Tom Henretty...

  6. Search for: All records | SciTech Connect

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    LANL Deliverable to the Big Sky Carbon Sequestration Partnership: Preliminary CO2-PENS model Stauffer, Philip H. ; Dai, Zhenxue ; Lu, Zhiming ; Middleton, Richard S. ; Jacobs, John ...

  7. GreenGov Presidential Award

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    (Council on Environmental Quality chair), Tad Pearson (INL), Neile Miller (DOE-Headquarters) and Chris Lu (Secretary of the Cabinet). Editorial Date October 19, 2010 By Brad Bugger...

  8. Events & Topics In Bioenergy | Photosynthetic Antenna Research...

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    Events & Topics In Bioenergy Events & Topics In Bioenergy Dr. Chenyang Lu Smart Building with Wireless Sensor Networks Dr. Joseph Cullen "Measuring the Environmental Benefits of ...

  9. Observation

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    to an Orbital-Selective Mott Phase in A x Fe 2-y Se 2 (AK, Rb) Superconductors M. Yi, 1, 2 D. H. Lu, 3 R. Yu, 4 S. C. Riggs, 1, 2 J.-H. Chu, 1, 2 B. Lv, 5 Z. Liu, 1, 2 M. Lu,...

  10. Electronically- and crystal-structure-driven magnetic structures...

    Office of Scientific and Technical Information (OSTI)

    The synthesis of the new equiatomic RScSb ( R La-Nd, Sm, Gd-Tm, Lu, Y) compounds has ... (La-Nd, Sm) and the CeFeSi-type (P4 nmm) structure for the heavier R ( R Gd-Tm, Lu, Y). ...

  11. Observation of Temperature-Induced Crossover to an Orbital-Selective...

    Office of Scientific and Technical Information (OSTI)

    Authors: Yi, M. ; Lu, D.H. ; Yu, R. ; Riggs, S.C. ; Chu, J.-H. ; Lv, B. ; Liu, Z. ; Lu, M. ; Cui, Y.-T. ; Hashimoto, M. ; Mo, S.-K. ; Hussain, Z. ; Chu, C.W. ; Fisher, I.R. ; Si, ...

  12. Syntheses, Structure, Magnetism, and Optical Properties of Lutetium-based Interlanthanide Selenides

    SciTech Connect (OSTI)

    Booth, Corwin H; Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Brooks, James S.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.

    2007-10-01

    Ln{sub 3}LuSe{sub 6} (Ln = La, Ce), {beta}-LnLuSe{sub 3} (Ln = Pr, Nd), and Ln{sub x}Lu{sub 4-x}Se{sub 6} (Ln = Sm, Gd; x = 1.82, 1.87) have been synthesized using a Sb{sub 2}Se{sub 3} flux at 1000 C. Ln{sub 3}LuSe{sub 6} (Ln = La, Ce) adopt the U{sub 3}ScS{sub 6}-type three-dimensional structure, which is constructed from two-dimensional {infinity}{sup 2} [Ln{sub 3}Se{sub 6}]{sup 3-} slabs with the gaps between these slabs filled by octahedrally coordinated Lu{sup 3+} ions. The series of {beta}-LnLuSe{sub 3} (Ln = Pr, Nd) are isotypic with UFeS{sub 3}. Their structures include layers formed from LuSe6 octahedra that are separated by eight-coordinate larger Ln{sup 3+} ions in bicapped trigonal prismatic environments. Sm{sub 1.82}Lu{sub 2.18}Se{sub 6} and Gd{sub 1.87}Lu{sub 2.13}Se{sub 6} crystallize in the disordered F-Ln{sub 2}S{sub 3} type structure with the eight-coordinate bicapped trigonal prismatic Ln(1) ions residing in the one-dimensional channels formed by three different double chains via edge and corner sharing. These double chains are constructed from Ln(2)Se{sub 7} monocapped trigonal prisms, Ln(3)Se{sub 6} octahedra, and Ln(4)S{sub 6} octahedra, respectively. The magnetic susceptibilities of {beta}-PrLuSe{sub 3} and {beta}-NdLuSe{sub 3} follow the Curie-Weiss law. Sm{sub 1.82}Lu{sub 2.18}Se{sub 6} shows van Vleck paramagnetism. Magnetic measurements show that Gd{sub 1.87}Lu{sub 2.13}Se{sub 6} undergoes an antiferromagnetic transition around 4 K. Ce{sub 3}LuSe{sub 6} exhibits ferromagnetic ordering below 5 K. The optical band gaps for La{sub 3}LuSe{sub 6}, Ce{sub 3}LuSe{sub 6}, {beta}- PrLuSe{sub 3}, {beta}-NdLuSe{sub 3}, Sm{sub 1.82}Lu{sub 2.18}Se{sub 6}, and Gd{sub 1.87}Lu{sub 2.13}Se{sub 6} are 1.26, 1.10, 1.56, 1.61, 1.51, and 1.56 eV, respectively.

  13. Physical properties of zircon and scheelite lutetium orthovanadate: Experiment and first-principles calculation

    SciTech Connect (OSTI)

    Huang, Zuocai; Zhang, Lei; Pan, Wei

    2013-09-15

    Pure zircon and scheelite LuVO{sub 4} were prepared by solid state reaction and high-pressure route, respectively. Structure, elastic constants, lattice dynamics and thermodynamics of LuVO{sub 4} polymorphs were studied by experiments and first principles calculation. Calculations here are in good agreement with the experimental results. The phonon dispersions of LuVO{sub 4} polymorphs were studied by the linear response method. The calculated phonon dispersions show that zircon and scheelite LuVO{sub 4} phases are dynamically stable. Raman-active frequencies were measured and assigned to different modes according to the calculations. The internal frequencies shift downward after phase transition from zircon to scheelite. Born effective charge tensors elements for both phases are analyzed. The finite temperature thermodynamic properties of LuVO{sub 4} polymorphs were calculated from the obtained phonon density of states by quasi-harmonic approach. - Graphical abstract: Lutetium orthovanadate polymorphs were synthesized by SSR and HP methods and their physical and chemical properties, including lattice dynamical properties, were determined by DFT calculations and experiments. Display Omitted - Highlights: • Pure zircon and scheelite LuVO{sub 4} polymorphs were synthesized by solid state reaction and high-pressure route. • Chemical and physical properties of LuVO4 polymorphs were studied by experiments and first principles calculation. • Raman-active frequencies were measured and assigned to different modes according to the calculations. • Lattice dynamics of polymorphs were discussed in details.

  14. Observation of a topologically non-trivial surface state in half-Heusler

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    PtLuSb (001) thin films (Journal Article) | DOE PAGES Observation of a topologically non-trivial surface state in half-Heusler PtLuSb (001) thin films Title: Observation of a topologically non-trivial surface state in half-Heusler PtLuSb (001) thin films The discovery of topological insulators, materials with bulk band gaps and protected cross-gap surface states in compounds such as Bi2Se3, has generated much interest in identifying topological surface states (TSSs) in other classes of

  15. Observation of a topologically non-trivial surface state in half-Heusler

    Office of Scientific and Technical Information (OSTI)

    PtLuSb (001) thin films (Journal Article) | SciTech Connect Observation of a topologically non-trivial surface state in half-Heusler PtLuSb (001) thin films Citation Details In-Document Search Title: Observation of a topologically non-trivial surface state in half-Heusler PtLuSb (001) thin films The discovery of topological insulators, materials with bulk band gaps and protected cross-gap surface states in compounds such as Bi2Se3, has generated much interest in identifying topological

  16. Giant Magneto-Resistance in Epitaxial (La0.7Sr0.3MnO3)0.5 Nanocomposit...

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    Authors: Pan, Wei 1 ; Jiang, Y. X. 2 ; Ihlefeld, Jon 3 ; Lu, Ping 3 ; Lee, Stephen R. 3 + Show Author Affiliations Sandia National Lab. (SNL-CA), Livermore, CA...

  17. Search for: All records | SciTech Connect

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    ... Hussain, Zaheed (1) Ishida, S. (1) Ishikado, M. (1) Lee, Wei-Sheng (1) Lu, Donghui (1) Meevasana, W. (1) Moore, R.G. (1) Sasagawa, T. (1) Schmitt, Felix (1) Shen, Zhi-Xun (1) ...

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    ... Leuenberger, Dominik (3) Lu, Donghui (3) Mo, Sung-Kwan (3) Moore, Robert G. (3) Pianetta, ... Inna M. ; Yi, Ming ; Chen, Yulin ; Moore, Rob G. ; Shen, Zhi-Xun October 2014 ...

  19. Jackson Megiatto | Center for Bio-Inspired Solar Fuel Production

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    Barun Das Bhupesh Goyal Jackson Megiatto Lu Gan Matthieu Koepf Matthieu Walther Sandip Shinde Sudhanshu Sharma Jackson Megiatto Postdoctoral Fellow Subtask 4 project: "Design and Synthesis of Artificial Reaction Centers for Artificial Photoelectrochemical Devices"

  20. Methane storage in advanced porous materials | Center for Gas...

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    Methane storage in advanced porous materials Previous Next List Trevor A. Makal, Jian-Rong Li, Weigang Lu and Hong-Cai Zhou, Chem. Soc. Rev., 2012,41, 7761-7779 DOI: 10.1039...

  1. Sulfur tolerant highly durable CO.sub.2 sorbents (Patent) | SciTech...

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    C. Also provided are doped CaO sorbents for the capture of carbon dioxide in the presence of SO.sub.2. Authors: Smirniotis, Panagiotis G. 1 ; Lu, Hong 2 + Show Author ...

  2. Daqiang Yuan | Center for Gas SeparationsRelevant to Clean Energy...

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    Lu, Weigang; Yuan, Daqiang; Makal, Trevor A; Wei, Zhangwen; Li, Jian-Rong; and Zhou, Hong-Cai Highly porous metal-organic framework sustained with 12-connected nanoscopic ...

  3. A Route to Metal-Organic Frameworks through Framework Templating...

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    A Route to Metal-Organic Frameworks through Framework Templating Previous Next List Zhangwen Wei, Weigang Lu, Hai-Long Jiang, and Hong-Cai Zhou, Inorg. Chem., 2013, 52 (3), pp ...

  4. A Highly Porous and Robust (3,3,4)-Connected Metal-Organic Framework...

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    Highly Porous and Robust (3,3,4)-Connected Metal-Organic Framework Assembled with a 90 Bridging-Angle Embedded Octacarboxylate Ligand Previous Next List Weigang Lu, Daqiang Yuan, ...

  5. PowerPoint Presentation

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    E. Hawkes, Jackie Chen T. Lu, C. K. Law premixed Wednesday: Non-premixed and ... laminar premixed flame (see text by Law or Kuo, or solve using CHEMKIN) c ...

  6. PowerPoint Presentation

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    DNS PROCI 31, 1299 R. Sankaran, E. Hawkes, Jackie Chen T. Lu, C. K. Law Premixed DNS PROCI ... Proc Comb Inst 21 1986 C. K. Law and C. J. Sung, Structure, aerodynamics, and geometry of ...

  7. Observing AAPI Heritage Month

    Energy.gov [DOE]

    Editor's Note: This blog originally appeared on the White House Blog, and is authored by Chris Lu, Assistant to the President and Cabinet Secretary.  He is also the Co-Chair of the White House...

  8. Structural disorder and magnetism in rare-earth (R) R117Co54...

    Office of Scientific and Technical Information (OSTI)

    The cubic R117Co54+xSn112y compounds (R La-Lu, except Pm, Eu, and Yb) have been synthesized and characterized using X-ray diffraction and magnetization measurements. The ...

  9. Carbon Dioxide Capture from Air Using Amine-Grafted Porous Polymer...

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    Carbon Dioxide Capture from Air Using Amine-Grafted Porous Polymer Networks Previous Next List Weigang Lu, Julian P. Sculley, Daqiang Yuan, Rajamani Krishna, and Hong-Cai Zhou, J....

  10. Highly Stable Porous Polymer Networks with Exceptionally High...

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Highly Stable Porous Polymer Networks with Exceptionally High Gas-Uptake Capacities Previous Next List Daqiang Yuan, Weigang Lu, Dan Zhao, Hong-Cai Zhou, Adv. Mater., 23: 3723-3725...

  11. Search for: All records | DOE PAGES

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    Zhao, Qingbiao (2) Asaba, Tomoya (1) Chung, Duck Young (1) Han, Tian -Heng (1) Kanatzidis, Mercouri G. (1) Lawson, B. J. (1) Lee, Young S. (1) Li, G. (1) Li, Hao (1) Li, Lu (1) Li, ...

  12. Search for: All records | DOE PAGES

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    Li, Yueqing (1) Liu, Yangang (1) Lu, Chunsong (1) Wu, Xianghua (1) Zhang, Guang J. (1) Save Results Excel (limit 2000) CSV (limit 5000) XML (limit 5000) Have feedback or ...

  13. EERE PowerPoint 97-2004 Template: Green Version

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    ... J., Lu, Y., Culp, B., Im, K.J., Wang, J., Zhu, W., Liu, J., Guglielmi, Y. 2014. Controls on gas-fracturing in unconventional reservoirs. China University of Petroleum. Beijing. ...

  14. CHRISTIAN SEIGNEUR

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    Huang, M., G.R. Carmichael, S. Kulkarni, D.G. Streets, Z. Lu, Q. Zhang, R.B. Pierce, Y. Kondo, J.L. Jimenez, M.J. Cubison, B. Anderson, and A. Wisthaler, Sectoral and Geographical...

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    ... Fermi Surface And Quasiparticle Excitations of Sr2RhO4 Baumberger, F. ; Ingle, N.J.C. ; Meevasana, W. ; Shen, K.M. ; Lu, D.H. ; Stanford U., Appl. Phys. Dept. SLAC, SSRL ; Perry, ...

  16. --No Title--

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    ... Structure and properties of multi-quasiparticle isomers in 176,177Lu 5 1000 Kondev Radiative Capture and Fusion Dynamics in Cold Fusion 90Zr+89Y Reaction 4 1001X Collon Possible ...

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    ... Doyle, Barney Lee (11) Brewer, Luke N. (10) Rodriguez, Mark Andrew (10) Zavadil, Kevin Robert (10) Ihlefeld, Jon F. (9) Smentkowski, Vincent S. (8) Brennecka, Geoffrey L. (6) Lu, ...

  18. Microsoft Word - racoro_final.docx

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    ... Conf. Clouds Precip., Leipzig, Germany, 28 July to 3 August 2012, Accepted for oral presentation. Vogelmann, A., T. Toto, W. Lin, Y. Liu, C. Lu, M. Jensen, G. McFarquhar, R. ...

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    Filter Results Filter by Author Nazaretski, Evgeny (3) Xu, Weihe (3) Lauer, Kenneth (2) Lu, Ming (2) Yan, Hui (2) Camino, Fernando (1) Chu, Yong S. (1) Clark, Jesse N. (1) ...

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    ... and vectors and using parallel linear and non-linear solvers to solve algebraic equations. ... Capacity Value of PV and Wind Generation in the NV Energy System Lu, Shuai ; Diao, ...

  1. PHYSICAL SCIENCES, Physics Phase

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    SCIENCES, Physics Phase competition in trisected superconducting dome I. M. Vishik, 1, 2 M Hashimoto, 3 R.-H. He, 4 W. S. Lee, 1, 2 F. Schmitt, 1, 2 D. H. Lu, 3 R. G. Moore, 1...

  2. Confinement of Metal-Organic Polyhedra in Silica Nanopores |...

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    Confinement of Metal-Organic Polyhedra in Silica Nanopores Previous Next List Lin-Bing Sun, Jian-Rong Li, Weigang Lu, Zhi-Yuan Gu, Zhiping Luo, and Hong-Cai Zhou, J. Am. Chem....

  3. Search for: All records | DOE PAGES

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    Lu, Ming (1) Milanovic, Veljko (1) Nazaretski, Evgeny (1) Xu, Weihe (1) Yan, Hui (1) Save Results Excel (limit 2000) CSV (limit 5000) XML (limit 5000) Have feedback or suggestions ...

  4. CO2 CAPTURE BY ABSORPTION WITH POTASSIUM CARBONATE (Technical...

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    The baseline pilot plant campaign with 30% MEA has been started. Authors: Gary T. Rochelle ; Eric Chen ; Jennifer Lu ; Babatunde Oyenekan ; Ross Dugas Publication Date: 2005-04-29 ...

  5. 2010-2011 Section V: Superconducting Cyclotron, Instrumentation...

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    Dunn, J. Gilbert, T. Isobe, K. Klein, M. Famiano, F. Lu, W. G. Lynch, N. W. Maass, T. Murakami, R. Olsen, A. Taketani, M. B. Tsang, and S. J. Yennello Delta-ray simulations for the...

  6. To bolster lithium battery life, add a little salt > EMC2 News...

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    'Genius Award' In This Section EMC2 News Archived News Stories To bolster lithium battery life, add a little salt August 13th, 2014 By Blaine Friedlander Archer Lu...

  7. Poster

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    HuMiChip: Development of a Functional Gene Array for the Study of Human Microbiomes Qichao Tu 1 , Ye Deng 1 , Lu Lin 12 , Jian Xu 2 , Chris L. Hemme 1 , Zhili He 1 , Jizhong Zhou 1 ...

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    ... Kepler, Thomas B. (5) Schulman, Brenda A. (5) Corbett, Kevin D. (4) Goodman, Simon L. (4) Harper, J. Wade (4) Harvard-Med (4) Lu, Chafen (4) Mi, Li-Zhi (4) Moody, M. Anthony (4) ...

  9. ARM - Technical Reports

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    ... Report (PDF, 1.4MB) ProSensing Inc. 2010 Whole Sky Imager Retrieval Guide (PDF, 2.0MB) ... Shaw, RA, M Beals, JP Fugal, SM Spuler, N Black, and J Lu 2012 ARM Standards Policy ...

  10. Adding Nanocavities to Catalyst Surfaces Enhances Chemical Selectivity...

    Office of Science (SC) [DOE]

    made by adding a template during the atomic layer deposition process that is used to ... Publications C. P. Canlas, J. Lu, N. A. Ray, N. A. Grosso-Giordano, J. W. Elam, S. Lee, R. ...

  11. Phase Competition in Trisected Superconducting Dome (Journal...

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    Authors: Vishik, I.M. ; Hashimoto, M ; He, Rui-Hua ; Lee, Wei-Sheng ; Schmitt, Felix ; Lu, Donghui ; Moore, R.G. ; Zhang, C. ; Meevasana, W. ; Sasagawa, T. ; Uchida, S. ; Fujita, ...

  12. Comment on 'A planar refractive x-ray lens made of nanocrystalline diamond'[J. Appl. Phys. 108, 123107 (2010)

    SciTech Connect (OSTI)

    Kroon, R. E.

    2013-05-28

    The material LuAG (lutetium aluminium garnet) has been confused with LAG (lanthanum aluminium garnet). In general, aluminium garnet phases only occur for the smaller trivalent metal cations and LAG is not known to have been synthesized.

  13. Streamlining the Optimization of Li-Ion Battery Electrodes |...

    Energy.gov (indexed) [DOE]

    Annual Merit Review and Peer Evaluation Meeting, May 18-22, 2009 -- Washington D.C. esp12lu.pdf (1015.55 KB) More Documents & Publications Screen Electrode Materials & Cell ...

  14. Screen Electrode Materials and Cell Chemistries | Department...

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    Annual Merit Review and Peer Evaluation Meeting, May 18-22, 2009 -- Washington D.C. esp24lu.pdf (1.35 MB) More Documents & Publications Screen Electrode Materials & Cell ...

  15. Center for Nanophase Materials Sciences (CNMS) - Publications

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    W. Lu, J. Bernholc, and B. Sumpter, "Electron Transport in Molecular Electronics Systems," J. Phys. Conf. Series 16, 283 (2005). V. V. Osipov, A. G. Petukhov, and V. N....

  16. Instructions for Preparing Occupational Exposure Data for Submittal...

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    for this monitoring period, in millirem. 45 Committed Equivalent Dose to the lungs (CEqD - LU) 189 7 302-308 The 50-year Committed Equivalent Dose to the lungs from the...

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    Lu, Guang-Hong, E-mail: LGH@buaa.edu.cn School of Physics and Nuclear Energy Engineering, ... Inclusion of the quadratic viscous torque led to construction of an optimization problem ...

  18. Jatropha Africa | Open Energy Information

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    Africa Jump to: navigation, search Name: Jatropha Africa Place: Croydon, Greater London, United Kingdom Zip: CR0 5LU Product: UK-based biodiesel feedstock company that is growing...

  19. Template for Electronic Submission to ACS Journals

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    Lam, Luis E. Sanchez-Diaz, Gregory S. Smith, Bradley D. Olsen, ' and Wei-Ren Chen ... B 2007, 111, 11330. (22) Lu, Y.; Harding, S. E.; Turner, A.; Smith, B.; Athwal, D. S.; ...

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    Filter by Author Gunzburger, Max D (7) Webster, Clayton G (6) Zhang, Guannan (5) Gunzburger, Max D ORNL (4) Webster, Clayton G ORNL (4) Zhang, Guannan ORNL (4) Lu, Dan (2) ...

  1. Mapping N-linked Glycosylation Sites in the Secretome and Whole...

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    Authors: Wang, Lu ; Aryal, Uma K. ; Dai, Ziyu ; Mason, Alisa C. ; Monroe, Matthew E. ; Tian, Zhixin ; Zhou, Jianying ; Su, Dian ; Weitz, Karl K. ; Liu, Tao ; Camp, David G. ; Smith...

  2. An Unlikely Route to Ferroelectricity | Advanced Photon Source

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    memory chips and highly sensitive magnetic field sensors. The crystalline material lutetium-iron-oxide (LuFe2O4) has, in turn, garnered much attention due to its purported...

  3. Center for Nanophase Materials Sciences (CNMS) - CNMS Research

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    Standing Friedel Waves, Standing Spin Waves, and Indirect Bandgap Optical Transition in Nanostructures Jun-Qiang Lu1, X.-G. Zhang1,2, and Sokrates T. Pantelides3 1Center for...

  4. Interfacial effects revealed by ultrafast relaxation dynamics...

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    Title: Interfacial effects revealed by ultrafast relaxation dynamics in BiFeO 3 YBa 2 Cu 3 O 7 bilayers Authors: Springer, D. ; Nair, Saritha K. ; He, Mi ; Lu, C. L. ; Cheong, S. ...

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    ... Inflation in the generalized inverse power law scenario Lu, Zhun, E-mail: zhunlu@seu.edu.cn We propose a single field inflationary model by generalizing the inverse power law ...

  6. Investigation of Microscale Damage Evolution in High Strength...

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    Damage Evolution in High Strength A1 Alloy. Authors: Jin, Huiqing ; Lu, Wei-Yang ; Mota, Alejandro ; Foulk, James W., III ; johnson, george Publication Date: 2012-09-01 OSTI...

  7. Investigation of Microscale Damage Evolution in High-Strength...

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    Damage Evolution in High-Strength Al Alloy. Authors: Jin, Huiqing ; Lu, Wei-Yang ; Mota, Alejandro ; Foulk, James W., III Publication Date: 2012-10-01 OSTI Identifier: 1072668...

  8. A low cost, high energy density and long cycle life potassium...

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    Authors: Lu, Xiaochuan ; Bowden, Mark E. ; Sprenkle, Vincent L. ; Liu, Jun Publication Date: 2015-08-15 OSTI Identifier: 1229967 Report Number(s): PNNL-SA-111546 Journal ID: ISSN ...

  9. Angle-resolved photoemission spectroscopy study of PrFeAsO0.7...

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    Authors: Nishi, I. ; Ishikado, M. ; Ideta, S. ; Malaeb, W. ; Yoshida, T. ; Fujimori, A. ; Kotani, Y. ; Kubota, M. ; Ono, K. ; Yi, M. ; Lu, D. H. ; Moore, R. ; Shen, Z.-X. ; Iyo, A. ...

  10. Enhancement of [alpha]-Helix Mimicry by an [alpha/beta]-Peptide...

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    Authors: Johnson, Lisa M. ; Mortenson, David E. ; Yun, Hyun Gi ; Horne, W. Seth ; Ketas, Thomas J. ; Lu, Min ; Moore, John P. ; Gellman, Samuel H. 1 ; UMD-NJ) 2 ; Weill-Med) ...

  11. Spin Hall magnetoresistance in CoFe2O4/Pt films (Journal Article...

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    Authors: Wu, Hao 1 ; Qintong, Zhang 1 ; Caihua, Wan 1 ; Ali, Syed Shahbaz 1 ; Yuan, Zhonghui 1 ; You, Lu 2 ; Wang, Junling 2 ; Choi, Yongseong 3 ; Han, Xiufeng 1 ...

  12. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Bauer, E. D. (2) Lu, Xin (2) Chen, G F (1) Chen, Y. (1) Chia, Elbert E M (1) Fisk, Z. (1) ... Tuson ; Thompson, Joe D ; Yuan, Huiqiu ; Chia, Elbert E M ; Chen, G F ; Luo, J L ; Wang, ...

  13. Search for: All records | DOE PAGES

    Office of Scientific and Technical Information (OSTI)

    ... Coherent spin control of a nanocavity-enhanced qubit in diamond Li, Luozhou ; Lu, Ming ; ... Among solid-state systems, the nitrogen-vacancy centre in diamond has emerged as an ...

  14. Effects of q -profile structures on intrinsic torque reversals...

    Office of Scientific and Technical Information (OSTI)

    Title: Effects of q -profile structures on intrinsic torque reversals Authors: Lu, Z. X. ; Wang, W. X. ; Diamond, P. H. ; Tynan, G. ; Ethier, S. ; Chen, J. ; Gao, C. ; Rice, J. E. ...

  15. Publisher's Note: "Modeling a thermionic energy converter using...

    Office of Scientific and Technical Information (OSTI)

    Plasmas 21, 023510 (2014) No abstract prepared. Authors: Lo, F. S. ; Lee, T. H. 1 ; Lu, P. S. 2 ; Ragan-Kelley, B. 3 ; Plasma Theory and Simulation Group, University of ...

  16. Summer 2012 Intern Project- Tyler Rhodes | Center for Energy Efficient

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Materials Tyler Rhodes MOLECULAR BEAM EPITAXY GROWTH OF HIGH QUALITY LuPtSb THIN FILMS Tyler Rhodes Mechanical Engineering UC Santa Barbara Mentor: Sahil Patel Faculty Advisor: Chris Palmstorm Department: Electrical and Computer Engineering Half-Heusler compounds, such as LuPtSb, are of growing interest in materials science for potential applications in energy efficiency and spintronics. To further investigate half-Heusler crystal structures and their interesting electrical and thermal

  17. Search for: All records | DOE Patents

    Office of Scientific and Technical Information (OSTI)

    Lu, Wenquan" Name Name ORCID Search Authors Patent Number: Patent Application Number: Contract Number: Subject: Lab/Technology Center: Sponsoring Office: Issue Date: to Sort: Relevance (highest to lowest) Publication Date (newest first) Publication Date (oldest first) Close Clear All Find Switch to Detail View for this search DOepatents Search Results Page 1 of 1 Search for: All records 2 results for: All records Creators/Authors contains: "Lu, Wenquan" × All Patents Filters ×

  18. Search for: All records | DOE Patents

    Office of Scientific and Technical Information (OSTI)

    Lu" Name Name ORCID Search Authors Patent Number: Patent Application Number: Contract Number: Subject: Lab/Technology Center: Sponsoring Office: Issue Date: to Sort: Relevance (highest to lowest) Publication Date (newest first) Publication Date (oldest first) Close Clear All Find Switch to Detail View for this search DOepatents Search Results Page 1 of 1 Search for: All records 5 results for: All records Creators/Authors contains: "Zhang, Lu" × All Patents Filters × Filter

  19. Research Highlight

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Entrainment Rate in Shallow Cumuli: Probabilistic Distribution and Dependence on Dry Air Sources Download a printable PDF Submitter: Liu, Y., Brookhaven National Laboratory Lu, C., Nanjing University of Information Science and Technology Area of Research: Cloud Processes Working Group(s): Cloud Life Cycle Journal Reference: Lu C, Y Liu, S Niu, and AM Vogelmann. 2012. "Lateral entrainment rate in shallow cumuli: Dependence on dry air sources and probability density functions."

  20. Research Highlight

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Strong Impacts of Vertical Velocity on Cloud Microphysics and Implications for Aerosol Indirect Download a printable PDF Submitter: Liu, Y., Brookhaven National Laboratory Lu, C., Nanjing University of Information Science and Technology Area of Research: Cloud-Aerosol-Precipitation Interactions Working Group(s): Cloud Life Cycle, Cloud-Aerosol-Precipitation Interactions Journal Reference: Lu C, Y Liu, S Niu, and AM Vogelmann. 2012. "Observed impacts of vertical velocity on cloud

  1. Research Highlight

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Exploring Parameterization for Turbulent Entrainment-Mixing Processes in Clouds Download a printable PDF Submitter: Liu, Y., Brookhaven National Laboratory Lu, C., Nanjing University of Information Science and Technology Area of Research: Cloud-Aerosol-Precipitation Interactions Working Group(s): Cloud Life Cycle, Cloud-Aerosol-Precipitation Interactions Journal Reference: Lu C, S Niu, S Krueger, and T Wagner. 2013. "Exploring parameterization for turbulent entrainment-mixing processes in

  2. Research Highlight

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Light Absorption of Primary Organic Aerosol Paper Named ACS Editors' Choice Download a printable PDF Submitter: Lu, Z., Argonne National Laboratory Streets, D. ., Argonne National Laboratory Area of Research: Aerosol Properties Working Group(s): Aerosol Life Cycle Journal Reference: Lu Z, DG Streets, E Winijkul, F Yan, Y Chen, TC Bond, Y Feng, MK Dubey, S Liu, JP Pinto, and GR Carmichael. 2015. "Light absorption properties and radiative effects of primary organic aerosol emissions."

  3. Postdoctoral Associates | Photosynthetic Antenna Research Center

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Postdoctoral Associates Postdoctoral Associates Meghan Barnhart-Dailey Postdoctoral Research Associate Read more about Meghan Barnhart-Dailey Reddy Muthyala Nagarjuna Postdoctoral Research Associate Read more about Reddy Muthyala Nagarjuna David Swainsbury Postdoctoral Research Associate Read more about David Swainsbury Amit Mandal Postdoctoral Research Associate Read more about Amit Mandal Xun Lu Postdoctoral Research Associate Read more about Xun Lu Durgesh Rai Postdoctoral Research Associate

  4. Piano-stool lutetium amido and imido compounds supported by a constrained bis(oxazoline)cyclopentadienyl ligand

    DOE PAGES-Beta [OSTI]

    Lampland, Nicole L.; Zhu, Jing; Hovey, Megan; Jana, Barun; Ellern, Arkady; Sadow, Aaron D.

    2015-06-25

    {BoMCptet}Lu(CH2Ph)2 (1; BoMCptet = MeC(OxMe2 2C5Me4; OxMe2 = 4,4-dimethyl-2-oxazoline) was prepared in 95% yield from the reaction of BoMCptetH and Lu(CH2Ph)3THF3. Compound 1 reacts with 1 or 2 equiv of H2NCH2R (R = C6H5, 1-C10H7) to give the corresponding imido complexes [{BoMCptet}LuNCH2R]2 (R = C6H5 (2a), 1-C10H7 (2b)) or amido complexes {BoMCptet}Lu(NHCH2R)2 (R = C6H5 (3a), 1-C10H7 (3b)). When isolated, the imido species are insoluble in nonprotic organic solvents. Crystallographic characterization reveals dimeric [{BoMCptet}LuNCH2(1-C10H7)]2 in the solid state. The reaction of 1 and NH3B(C6F5)3 affords crystallographically characterized {BoMCptet}Lu{NHB(C6F5)2}C6F5. This species is proposed to form via a transient lutetium imido, whichmore » undergoes C6F5 migration to the lutetium center.« less

  5. SSRL BEAM PORT SCHEDULE

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    - - 3-3 Jumbo START UP START UP START UP - - - - START UP START UP START UP - - - - START UP START UP START UP START UP 3-4 Litho START UP START UP START UP START UP START UP START UP START UP START UP START UP START UP 5-2 SSRL START UP START UP START UP START UP START UP START UP START UP START UP START UP START UP 5-3 Stanford START UP START UP START UP START UP START UP START UP START UP START UP START UP START UP 8820 -Kim/Lu 8820 -Kim/Lu 8820 -Kim/Lu 5-4 NIM START UP START UP START UP VUV

  6. SSRL BEAM PORT SCHEDULE

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    31, 2016 Nov. 07, 2016 Nov. 14, 2016 Nov. 21, 2016 Nov. 28, 2016 Dec. 05, 2016 Dec. 12, 2016 Dec. 19, 2016 Dec. 26, 2016 Jan. 02, 2017 Jan. 09, 2017 Jan. 16, 2017 Jan. 23, 2017 Jan. 30, 2017 Feb. 06, 2017 Back to Table of Contents WEEK OF Oct. 31, 2016 Oct. 31, 2016 Nov. 01, 2016 Nov. 02, 2016 Nov. 03, 2016 Nov. 04, 2016 Nov. 05, 2016 Nov. 06, 2016 BEAM LINE 5-4 Oct. 31, 2016 Nov. 01, 2016 Nov. 02, 2016 Nov. 03, 2016 Nov. 04, 2016 Nov. 05, 2016 Nov. 06, 2016 DOWN 8820 D.Lu 8820 D.Lu 8820 D.Lu

  7. Unsymmetric ordering using a constrained Markowitz scheme

    SciTech Connect (OSTI)

    Amestoy, Patrick R.; Xiaoye S.; Pralet, Stephane

    2005-01-18

    We present a family of ordering algorithms that can be used as a preprocessing step prior to performing sparse LU factorization. The ordering algorithms simultaneously achieve the objectives of selecting numerically good pivots and preserving the sparsity. We describe the algorithmic properties and challenges in their implementation. By mixing the two objectives we show that we can reduce the amount of fill-in in the factors and reduce the number of numerical problems during factorization. On a set of large unsymmetric real problems, we obtained the median reductions of 12% in the factorization time, of 13% in the size of the LU factors, of 20% in the number of operations performed during the factorization phase, and of 11% in the memory needed by the multifrontal solver MA41-UNS. A byproduct of this ordering strategy is an incomplete LU-factored matrix that can be used as a preconditioner in an iterative solver.

  8. High Efficiency Organic Solar Cells: December 16, 2009 - February 2, 2011

    SciTech Connect (OSTI)

    Walker, K.; Joslin, S.

    2011-05-01

    Details on the development of novel organic solar cells incorporating Trimetasphere based acceptors are presented including: baseline performance for Lu-PCBEH acceptor blended with P3HT demonstrated at 4.89% PCE exceeding the 4.5% PCE goal; an increase of over 250mV in Voc was demonstrated for Lu-PCBEH blended with low band gap polymers compared to a comparable C60-PCBM device. The actual Voc was certified at 260mV higher for a low band gap polymer device using the Lu-PCBEH acceptor; and the majority of the effort was focused on development of a device with over 7% PCE. While low current and fill factors suppressed overall device performance for the low band gap polymers tested, significant discoveries were made that point the way for future development of these novel acceptor materials.

  9. SherryLi.pptx

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    for SuperLU a nd T OORSES X. S herry L i Scien0fic C ompu0ng G roup, L BNL NERSC ASCR Requirements for 2017 January 15, 2014 LBNL 1. P roject D escrip0on ( 1 o f 2 ) PI: S herry L i, L BNL * Summarize y our p roject(s) a nd i ts s cien0fic o bjec0ves through 2 017 * SuperLU i s a d irect s olver l ibrary f or s parse l inear s ystems * Most p arallel o ne i s SuperLU_DIST, M PI---only a t p resent * Many u sers: 2 7,403 d ownloads i n F Y13 * Included i n C ray's LibSci, F EMLAB, H P's M athLib,

  10. Structural and Crystal Chemical Properties of Alkali Rare-earth Double Phosphates

    SciTech Connect (OSTI)

    Farmer, James Matthew; Boatner, Lynn A.; Chakoumakos, Bryan C.; Rawn, Claudia J.; Richardson, Jim

    2016-01-01

    When appropriately activated, alkali rare-earth double phosphates of the form: M3RE(PO4)2 (where M denotes an alkali metal and RE represents either a rare-earth element or Y or Sc) are of interest for use as inorganic scintillators for radiation detection at relatively long optical emission wavelengths. These compounds exhibit layered crystal structures whose symmetry properties depend on the relative sizes of the rare-earth and alkali-metal cations. Single-crystal X-ray and powder neutron diffraction methods were used here to refine the structures of the series of rare-earth double phosphate compounds: K3RE(PO4)2 with RE = Lu, Er, Ho, Dy, Gd, Nd, Ce, plus Y and Sc - as well as the compounds: A3Lu(PO4)2, with A = Rb, and Cs. The double phosphate K3Lu(PO4)2 was reported and structurally refined previously. This material had a hexagonal unit cell at room temperature with the Lu ion six-fold coordinated with oxygen atoms of the surrounding phosphate groups. Additionally two lower-temperature phases were observed for K3Lu(PO4)2. The first phase transition to a monoclinic P21/m phase occurred at ~230 K, and the Lu ion retained its six-fold coordination. The second K3Lu(PO4)2 phase transition occurred at ~130 K. The P21/m space group symmetry was retained, however, one of the phosphate groups rotated to increase the oxygen coordination number of Lu from six to seven. This structure then became isostructural with the room-temperature form of the compound K3Yb(PO4)2 reported here that also exhibits an additional high-temperature phase which occurs at T = 120 °C with a transformation to hexagonal P-3 space group symmetry and a Yb-ion coordination number reduction from seven to six. This latter result was confirmed using EXAFS. The single

  11. Structural and Crystal Chemical Properties of Alkali Rare-earth Double Phosphates

    DOE PAGES-Beta [OSTI]

    Farmer, James Matthew; Boatner, Lynn A.; Chakoumakos, Bryan C.; Rawn, Claudia J.; Richardson, Jim

    2016-01-01

    When appropriately activated, alkali rare-earth double phosphates of the form: M3RE(PO4)2 (where M denotes an alkali metal and RE represents either a rare-earth element or Y or Sc) are of interest for use as inorganic scintillators for radiation detection at relatively long optical emission wavelengths. These compounds exhibit layered crystal structures whose symmetry properties depend on the relative sizes of the rare-earth and alkali-metal cations. Single-crystal X-ray and powder neutron diffraction methods were used here to refine the structures of the series of rare-earth double phosphate compounds: K3RE(PO4)2 with RE = Lu, Er, Ho, Dy, Gd, Nd, Ce, plus Ymore » and Sc - as well as the compounds: A3Lu(PO4)2, with A = Rb, and Cs. The double phosphate K3Lu(PO4)2 was reported and structurally refined previously. This material had a hexagonal unit cell at room temperature with the Lu ion six-fold coordinated with oxygen atoms of the surrounding phosphate groups. Additionally two lower-temperature phases were observed for K3Lu(PO4)2. The first phase transition to a monoclinic P21/m phase occurred at ~230 K, and the Lu ion retained its six-fold coordination. The second K3Lu(PO4)2 phase transition occurred at ~130 K. The P21/m space group symmetry was retained, however, one of the phosphate groups rotated to increase the oxygen coordination number of Lu from six to seven. This structure then became isostructural with the room-temperature form of the compound K3Yb(PO4)2 reported here that also exhibits an additional high-temperature phase which occurs at T = 120 °C with a transformation to hexagonal P-3 space group symmetry and a Yb-ion coordination number reduction from seven to six. This latter result was confirmed using EXAFS. The single-crystal growth methods structural systematics, and thermal expansion properties of the present series of alkali rare-earth double phosphates, as determined by X-ray and neutron diffraction methods, are treated here.« less

  12. L3:THM.CLS.P9.02

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    P9.02 Transient Evolution and Dispersion of Bubbles in a Channel and Data Mining Jiacai Lu and Gretar Tryggvason University of Note Dame September 30, 2014 CASL-8-2014-0208-000 CASL-U-2014-0208-000 Transient)Evolution)and)Dispersion)of) Bubbles)in)a)Channel)and)Data)Mining) L3:THM.CLS.P9.02.milestone.report. ! ! ! Jiacai%Lu% Gretar%Tryggvason% ! ! ! University%of%Notre%Dame% ! ! % % ! ! ! ! ! ! September!30,!2014!(Ver.!1.1)! ! CASL-U-2014-0208-000 L3:THM.CLS.P9.02!report! ! 2 ! Abstract: The

  13. TPSL

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    TPSL TPSL Description The Cray Third Party Scientific Libraries (TPSL), is a collection of scientific libraries and solvers contaning: MUMPS ParMetis SuperLU, SuperLU_DIST Hypre Scotch Sundials Access The Cray TPSL module is available on the NERSC Cray systems, Cori and Edison. To use: module load cray-tpsl Using TPSL After loading the cray-tpsl module, the compiler wrappers (ftn, cc, CC) will automatically link with the all the included third party libraries. To find out which versions of each

  14. CASL-8-2015-0095-000 L3:THM.CLS.P11.01 Interim Report:

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    95-000 L3:THM.CLS.P11.01 Interim Report: ITM/DNS for High Volume Fraction Bubbly Flow Regimes, Machine Learning for Closure Support Jun Fang 1 Igor A. Bolotnov 1 Jiacai Lu 2 Gretar Tryggvason 2 1 North Carolina State University 2 University of Notre Dame March 31, 2015 CASL-U-2015-0095-000 Interim Report: ITM/DNS for high volume fraction bubbly flow regimes, machine learning for closure support Progress update for the L3:THM.CLS.P11.01 milestone report Jun Fang 1 Igor A. Bolotnov 1 Jiacai Lu 2

  15. CASL - CFD-Based Turbulence Force Evaluation for Grid-to-Rod Fretting

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Phenomena CFD-Based Turbulence Force Evaluation for Grid-to-Rod Fretting Phenomena Article Background: Roger Lu - #83 - L1:CASL.P5.02 - Determine extent structural analysis amplifies (or damps) differences in pressure forces between different CFD codes for analysis of GTRF phenomenon (CASL.012) based on "CASL report CFD Turbulence Force Calculations and Grid-to-Rod Fretting Simulation" CFD-Based Turbulence Force Evaluation for Grid-to-Rod Fretting Phenomena R. Y. Lu and Z. Karoutas

  16. Syntheses, Structure, Magnetism, and Optical Properties of the Interlanthanide Sulfides delta-Ln2-xLuxS3 (Ln = Ce, Pr, Nd)

    SciTech Connect (OSTI)

    Booth, Corwin H; Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Brooks, James S.; Bray, Travis H.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.

    2008-01-11

    {delta}-Ln{sub 2-x}LuxS{sub 3} (Ln = Ce, Pr, Nd; x = 0.67-0.71) compounds have been synthesized through the reaction of elemental rare earth metals and S using Sb{sub 2}S{sub 3} flux at 1000 C. These compounds are isotypic with CeTmS{sub 3}, which has a complex three-dimensional structure. It includes four larger Ln{sup 3+} sites in eight- and nine-coordinate environments, two disordered seven-coordinate Ln{sup 3+}/Lu{sup 3+} positions, and two six-coordinate Lu{sup 3+} ions. The structure is constructed from one-dimensional chains of LnSn (n = 6-9) polyhedra that extend along the b axis. These polyhedra share faces or edges with two neighbors within the chains, while in the [ac] plane they share edges and corners with other chains. Least square refinements gave rise to the formulas of {delta}-Ce{sub 1.30}Lu{sub 0.70}S{sub 3}, {delta}-Pr{sub 1.29}Lu{sub 0.71}S{sub 3} and {delta}-Nd{sub 1.33}Lu{sub 0.67}S{sub 3}, which are consistent with the EDX analysis and magnetic susceptibility data. {delta}-Ln{sub 2-x}LuxS{sub 3} (Ln = Ce, Pr, Nd; x = 0.67-0.71) show no evidence of magnetic ordering down to 5 K. Optical properties measurements show that the band gaps for {delta}-Ce{sub 1.30}Lu{sub 0.70}S{sub 3}, {delta}-Pr{sub 1.29}Lu{sub 0.71}S{sub 3}, and {delta}-Nd{sub 1.33}Lu{sub 0.67}S{sub 3} are 1.25 eV, 1.38 eV, and 1.50 eV, respectively. Crystallographic data: {delta}-Ce{sub 1.30}Lu{sub 0.70}S{sub 3}, monoclinic, space group P2{sub 1}/m, a = 11.0186(7), b = 3.9796(3), c = 21.6562(15) {angstrom}, {beta} = 101.6860(10), V = 929.93(11), Z = 8; {delta}-Pr{sub 1.29}Lu{sub 0.71}S{sub 3}, monoclinic, space group P2{sub 1}/m, a = 10.9623(10), b = 3.9497(4), c = 21.5165(19) {angstrom}, {beta} = 101.579(2), V = 912.66(15), Z = 8; {delta}-Nd{sub 1.33}Lu{sub 0.67}S{sub 3}, monoclinic, space group P2{sub 1}/m, a = 10.9553(7), b = 3.9419(3), c = 21.4920(15) {angstrom}, {beta} = 101.5080(10), V = 909.47(11), Z = 8.

  17. Lightweight high performance ceramic material

    DOE Patents [OSTI]

    Nunn, Stephen D [Knoxville, TN

    2008-09-02

    A sintered ceramic composition includes at least 50 wt. % boron carbide and at least 0.01 wt. % of at least one element selected from the group consisting of Y, La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy Ho, Er, Tm, Yb, and Lu, the sintered ceramic composition being characterized by a density of at least 90% of theoretical density.

  18. SSRL HEADLINES October 2005

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    4 October, 2005 __________________________________________________________________________ Contents of this Issue: SSRL Director's Report Science Highlight - Terror of the Tudor Seas Suffers from Sulfur Science Highlight - Cationic Liposome-Microtubule Complexes: Lipid-Protein Bio-Nanotubes with Open or Closed Ends SSRL Users' Organization Executive Committee Update Over 300 People Participate in SSRL32 Users' Meeting & Workshops Congratulations to Donghui Lu, Recipient of the 2005 Farrel

  19. Sandip Shinde | Center for Bio-Inspired Solar Fuel Production

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Principal Investigators Postdoctoral Fellows Center researchers Graduate Students Undergraduate Students All Bisfuel Center Personnel Barun Das Bhupesh Goyal Jackson Megiatto Lu Gan Matthieu Koepf Matthieu Walther Sandip Shinde Sudhanshu Sharma Sandip Shinde Postdoctoral Fellow (2010-2011) Subtask 1 * Subtask 2 * Subtask 3 * Subtask 4 * Subtask 5

  20. KLU2 Direct Linear Solver Package

    Energy Science and Technology Software Center (OSTI)

    2012-01-04

    KLU2 is a direct sparse solver for solving unsymmetric linear systems. It is related to the existing KLU solver, (in Amesos package and also as a stand-alone package from University of Florida) but provides template support for scalar and ordinal types. It uses a left looking LU factorization method.

  1. Canonical form of three-fermion pure-states with six single particle states

    SciTech Connect (OSTI)

    Chen, Lin; Ž Ðoković, Dragomir; Grassl, Markus; Zeng, Bei

    2014-08-01

    We construct a canonical form for pure states in Λ³(C⁶), the three-fermion system with six single particle states, under local unitary (LU) transformations, i.e., the unitary group U(6). We also construct a minimal set of generators of the algebra of polynomial U(6)-invariants on Λ³(C⁶). It turns out that this algebra is isomorphic to the algebra of polynomial LU-invariants of three-qubits which are additionally invariant under qubit permutations. As a consequence of this surprising fact, we deduce that there is a one-to-one correspondence between the U(6)-orbits of pure three-fermion states in Λ³(C⁶) and the LU orbits of pure three-qubit states when qubit permutations are allowed. As an important byproduct, we obtain a new canonical form for pure three-qubit states under LU transformations U(2) × U(2) × U(2) (no qubit permutations allowed)

  2. Laminate articles on biaxially textured metal substrates (Patent...

    Office of Scientific and Technical Information (OSTI)

    O.sub.3 buffer layer over the substrate, wherein 0Lu, Gd, Tb, Dy, Tm, and Yb. ...

  3. untitled

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    e R iv er Federal Dam Non-Federal Dam Canadian Dam Columbia River Basin Majo r Dam s Within Co lu mb ia Rive r B as in P a c i f i c O c e a n 0 50 100 25 Miles 0 100 50 Kilometers...

  4. Antiferromagnetic transitions of osmium-containing rare earth double perovskites Ba{sub 2}LnOsO{sub 6} (Ln=rare earths)

    SciTech Connect (OSTI)

    Hinatsu, Yukio Doi, Yoshihiro; Wakeshima, Makoto

    2013-10-15

    The perovskite-type compounds containing both rare earth and osmium Ba{sub 2}LnOsO{sub 6} (Ln=Pr, Nd, SmLu) have been prepared. Powder X-ray diffraction measurements and Rietveld analysis show that Ln{sup 3+} and Os{sup 5+} ions are structurally ordered at the M site of the perovskite BaMO{sub 3}. Magnetic susceptibility and specific heat measurements show that an antiferromagnetic ordering of Os{sup 5+} ions has been observed for Ba{sub 2}LnOsO{sub 6} (Ln=Pr, Nd, Sm, Eu, Gd, Lu) at 6571 K. Magnetic ordering of Ln{sup 3+} moments occurs when the temperature is furthermore decreased. - Graphical abstract: The perovskite-type compounds containing both rare earth and osmium Ba{sub 2}LnOsO{sub 6} (Ln=Pr, Nd, SmLu) have been prepared. An antiferromagnetic ordering of Os{sup 5+} ions has been observed for Ba{sub 2}LnOsO{sub 6} (Ln=Pr, Nd, Sm, Eu, Gd, Lu) at 6571 K. Measurements and analysis of the specific heat for Ba{sub 2}PrOsO{sub 6} show that magnetic ordering of the Pr{sup 3+} moments should have occurred at ?20 K. Display Omitted.

  5. ARM2007_STM_poster_v1

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    ... Kim, B.-G, M. Miller, S. Schwartz, Y. Liu, Q. Min, (2008), JGR, doi:10.1029 2007JD008961. Kim, B.-G, S. Klein, J. Norris (2005), JGR, doi:10.10292004JD005122. Lu, M.-L, W.C. ...

  6. Federal Guidance Report No. 13

    National Nuclear Security Administration (NNSA)

    QLWHG 6WDWHV LU DQG 5DGLDWLRQ (3 &23;&19;&21;&16;5&16;&28;&28;&16;&19;&19;&20; (QYLURQPHQWDO 3URWHFWLRQ &25;&25;&19;&20;- 6HSWHPEHU&20;&28;&28;&28; JHQF &DQFHU&3;5LVN&3;&RHIILFLHQWV&3;IRU (QYLURQPHQWDO&3;(SRVXUH&3;WR 5DGLRQXFOLGHV ...

  7. Amesos Solver Package

    Energy Science and Technology Software Center (OSTI)

    2004-03-01

    Amesos is the Direct Sparse Solver Package in Trilinos. The goal of Amesos is to make AX=S as easy as it sounds, at least for direct methods. Amesos provides interfaces to a number of third party sparse direct solvers, including SuperLU, SuperLU MPI, DSCPACK, UMFPACK and KLU. Amesos provides a common object oriented interface to the best sparse direct solvers in the world. A sparse direct solver solves for x in Ax = b. wheremore » A is a matrix and x and b are vectors (or multi-vectors). A sparse direct solver flrst factors A into trinagular matrices L and U such that A = LU via gaussian elimination and then solves LU x = b. Switching amongst solvers in Amesos roquires a change to a single parameter. Yet, no solver needs to be linked it, unless it is used. All conversions between the matrices provided by the user and the format required by the underlying solver is performed by Amesos. As new sparse direct solvers are created, they will be incorporated into Amesos, allowing the user to simpty link with the new solver, change a single parameter in the calling sequence, and use the new solver. Amesos allows users to specify whether the matrix has changed. Amesos can be used anywhere that any sparse direct solver is needed.« less

  8. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    ... Filter by Author Huang, Dao-Ling (9) Liu, Hong-Tao (7) Su, Jing (5) Dau, Phuong D. (4) Li, ... Li, Jun, E-mail: junli@tsinghua.edu.cn (1) Li, Wan -Lu (1) Liu, Hong -Tao (1) Save Results ...

  9. Effect of nonmagnetic impurities on the residual electron-spin-resonance linewidth of Er:Ag dilute alloys

    SciTech Connect (OSTI)

    Dahlberg, E.D.; Souletie, J.; Dodds, S.A.; Chock, E.P.; Orbach, R.L. )

    1990-06-01

    We have undertaken a systematic investigation of the effect of nonmagnetic impurities on the residual ({ital T}{r arrow}0 K) electron-spin-resonance linewidth of erbium in dilute (200 parts per million atomic (ppm)) Er:Ag alloys. The nonmagnetic impurities used were In, Sn, Sb, Y, and Lu in the concentration range of 500--4600 ppm. The linewidth broadening caused by these impurities was found to be 0.2{plus minus}0.11, 0.49{plus minus}0.1, 0.51{plus minus}0.11, 1.4{plus minus}0.18, and 1.37{plus minus}0.32 G/1000 ppm atomic frequency (GHz) for In, Sn, Sb, Y, and Lu, respectively. The most reasonable source of the Er line broadening is the mixing of the crystal-field levels of the Er by the Kohn-Vosko oscillations in the charge density. The broadening of the Er resonance line due to In, Sn, and Sb doping is consistent with the expected form of the oscillations. Also, Y and Lu are equivalent in the broadening of the Er line, as expected. However, the scaling of the Y and Lu broadening compared to that due to the In, Sn, and Sb is not consistent. The reasons for this are not understood.

  10. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    ... Room-temperature mid-infrared "M"-type GaAsSbInGaAs quantum well lasers on InP substrate Chang, Chia-Hao ; Li, Zong-Lin ; Pan, Chien-Hung ; Lu, Hong-Ting ; Lee, Chien-Ping ; Lin, ...

  11. A=9Be (1984AJ01)

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Energy Levels (in PDF or PS). Shell model: (1978AR1H, 1979LA06, 1981BO1Y, 1982OR03). Cluster and -particle models: (1978AR1H, 1978RE1A, 1979CH1D, 1979FO16, 1979LU1A, 1979OK02,...

  12. Local structure in solid solutions of stabilised zirconia with actinide dioxides (UO{sub 2}, NpO{sub 2})

    SciTech Connect (OSTI)

    Walter, Marcus; Somers, Joseph; Bouexiere, Daniel; Rothe, Joerg

    2011-04-15

    The local structure of (Zr,Lu,U)O{sub 2-x} and (Zr,Y,Np)O{sub 2-x} solid solutions has been investigated by extended X-ray absorption fine structure (EXAFS). Samples were prepared by mixing reactive (Zr,Lu)O{sub 2-x} and (Zr,Y)O{sub 2-x} precursor materials with the actinide oxide powders, respectively. Sintering at 1600 {sup o}C in Ar/H{sub 2} yields a fluorite structure with U(IV) and Np(IV). As typical for stabilised zirconia the metal-oxygen and metal-metal distances are characteristic for the different metal ions. The bond lengths increase with actinide concentration, whereas highest adaptation to the bulk stabilised zirconia structure was observed for U---O and Np---O bonds. The Zr---O bond shows only a slight increase from 2.14 A at 6 mol% actinide to 2.18 A at infinite dilution in UO{sub 2} and NpO{sub 2}. The short interatomic distance between Zr and the surrounding oxygen and metal atoms indicate a low relaxation of Zr with respect to the bulk structure, i.e. a strong Pauling behaviour. -- Graphical abstract: Metal-oxygen bond distances in (Zr,Lu,U)O{sub 2-x} solid solutions with different oxygen vacancy concentrations (Lu/Zr=1 and Lu/Zr=0.5). Display Omitted Research Highlights: {yields} EXAFS indicates high U and Np adaption to the bulk structure of stabilised zirconia. {yields} Zr---O bond length is 2.18 A at infinite Zr dilution in UO{sub 2} and NpO{sub 2}. {yields} Low relaxation (strong Pauling behaviour) of Zr explains its low solubility in UO{sub 2}.

  13. Piano-stool lutetium amido and imido compounds supported by a constrained bis(oxazoline)cyclopentadienyl ligand

    SciTech Connect (OSTI)

    Lampland, Nicole L.; Zhu, Jing; Hovey, Megan; Jana, Barun; Ellern, Arkady; Sadow, Aaron D.

    2015-06-25

    {BoMCptet}Lu(CH2Ph)2 (1; BoMCptet = MeC(OxMe2 2C5Me4; OxMe2 = 4,4-dimethyl-2-oxazoline) was prepared in 95% yield from the reaction of BoMCptetH and Lu(CH2Ph)3THF3. Compound 1 reacts with 1 or 2 equiv of H2NCH2R (R = C6H5, 1-C10H7) to give the corresponding imido complexes [{BoMCptet}LuNCH2R]2 (R = C6H5 (2a), 1-C10H7 (2b)) or amido complexes {BoMCptet}Lu(NHCH2R)2 (R = C6H5 (3a), 1-C10H7 (3b)). When isolated, the imido species are insoluble in nonprotic organic solvents. Crystallographic characterization reveals dimeric [{BoMCptet}LuNCH2(1-C10H7)]2 in the solid state. The reaction of 1 and NH3B(C6F5)3 affords crystallographically characterized {BoMCptet}Lu{NHB(C6F5)2}C6F5. This species is proposed to form via a transient lutetium imido, which undergoes C6F5 migration to the lutetium center.

  14. Photoemission spectroscopy study of the lanthanum lutetium oxide/silicon interface

    SciTech Connect (OSTI)

    Nichau, A.; Schnee, M.; Schubert, J.; Bernardy, P.; Hollaender, B.; Buca, D.; Mantl, S.; Besmehn, A.; Breuer, U.; Rubio-Zuazo, J.; Castro, G. R.; Muecklich, A.; Borany, J. von

    2013-04-21

    Rare earth oxides are promising candidates for future integration into nano-electronics. A key property of these oxides is their ability to form silicates in order to replace the interfacial layer in Si-based complementary metal-oxide field effect transistors. In this work a detailed study of lanthanum lutetium oxide based gate stacks is presented. Special attention is given to the silicate formation at temperatures typical for CMOS processing. The experimental analysis is based on hard x-ray photoemission spectroscopy complemented by standard laboratory experiments as Rutherford backscattering spectrometry and high-resolution transmission electron microscopy. Homogenously distributed La silicate and Lu silicate at the Si interface are proven to form already during gate oxide deposition. During the thermal treatment Si atoms diffuse through the oxide layer towards the TiN metal gate. This mechanism is identified to be promoted via Lu-O bonds, whereby the diffusion of La was found to be less important.

  15. Observation of Temperature-Induced Crossover to an Orbital-Selective Mott

    Office of Scientific and Technical Information (OSTI)

    Phase in AxFe2-ySe2 (A=K, Rb) Superconductors (Journal Article) | SciTech Connect Observation of Temperature-Induced Crossover to an Orbital-Selective Mott Phase in AxFe2-ySe2 (A=K, Rb) Superconductors Citation Details In-Document Search Title: Observation of Temperature-Induced Crossover to an Orbital-Selective Mott Phase in AxFe2-ySe2 (A=K, Rb) Superconductors Authors: Yi, M. ; Lu, D.H. ; Yu, R. ; Riggs, S.C. ; Chu, J.-H. ; Lv, B. ; Liu, Z. ; Lu, M. ; Cui, Y.-T. ; Hashimoto, M. ; Mo, S.-K.

  16. Prompt proton decay in the vicinity of {sup 56}Ni

    SciTech Connect (OSTI)

    Johansson, E. K.; Rudolph, D.; Andersson, L-L.; Fahlander, C.; Rietz, R. du; Torres, D. A.; Carpenter, M. P.; Seweryniak, D.; Zhu, S.; Charity, R. J.; Chiara, C. J.; Hoel, C.; Pechenaya, O. L.; Reviol, W.; Sarantites, D. G.; Sobotka, L. G.; Ekman, J.

    2007-11-30

    A new decay mode, the so called prompt proton decay, was discovered in 1998. It has since proven to be an important decay mechanism for several neutron deficient nuclei in the A{approx}60 region. To measure with high accuracy the energies and angular distributions of these protons, a state-of-the-art charged particle detector--LuWuSiA--was developed. It was first utilized during a fusion-evaporation reaction experiment performed at Argonne National Laboratory, U.S.A. In this contribution, the characteristics of the prompt proton decay are discussed along with the special features of LuWuSiA as well as a revisit to the prompt proton decay in {sup 58}Cu.

  17. A=8Be (1988AJ01)

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    8AJ01) (See Energy Level Diagrams for 8Be) GENERAL: See also (1984AJ01) and Table 8.4 [Table of Energy Levels] (in PDF or PS) here. Shell model: (1984PA04, 1984VA06, 1984ZW1A, 1985FI1E, 1987BL18, 1987KI1C, 1988WO04). Collective, rotational and deformed models: (1984PA04, 1985RO1G). Cluster and α-particle models: (1981PL1A, 1983CA12, 1983DR09, 1983FU1D, 1983HA41, 1983JA09, 1983SH38, 1984DE24, 1984DU17, 1984LU1A, 1984LU1B, 1985FI1E, 1986GU1F, 1986KR12, 1986SU06, 1988KR01). Special states:

  18. Neutron activation analysis of NBS oyster tissue (SRM 1566) and IAEA animal bone (H-5)

    SciTech Connect (OSTI)

    Lepel, E.A.; Laul, J.C.

    1983-10-01

    Data have been presented for 35 elements determined by INAA for NBS oyster tissue (SRM 1566) and for 38 elements determined by INAA and RNAA for IAEA animal bone (H-5). The experimental data showed excellent agreement with published values wherever the comparison exists. Additional trace-element data in the ppb range have been presented for the elements Sc, Sb, Cs, La, Ce, Nd, Sm, Eu, Tb, Dy, Ho, Yb, Lu, Hf, Ta, W and Th in NBS oyster tissue. Also, additional trace-element data for IAEA animal bone (H-5) in the ppb range for the elements Al, Sc, Co, Rb, Cs, La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Tm, Yb, lu, Hf, Ta and Th have been presented.

  19. Stanford Synchrotron Radiation Lightsource December 2008

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    January 2016 Business & Administration Carlson, S. Safety Evans, I. Science Advisory Committee Proposal Review Panel Photon Science Faculty User Research Administration Knotts, C. Director - Gaffney, K. Deputy Director Pianetta, P. Science Director Hedman, B. SSRL Users' Organization Beam Line Development & Support Harrington, D. Synchrotron Radiation Materials Sciences Division Toney, M. / Lu, D. Beam Line Systems Division Rabedeau, T. Synchrotron Radiation Chemistry & Catalysis

  20. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Lu, Donghui" Name Name ORCID Product Type: All Book/Monograph Conference/Event Journal Article Miscellaneous Patent Program Document Software Manual Technical Report Thesis/Dissertation Subject: Identifier Numbers: Site: All Alaska Power Administration, Juneau, Alaska (United States) Albany Research Center (ARC), Albany, OR (United States) Albuquerque Complex - NNSA Albuquerque Operations Office, Albuquerque, NM (United States) Amarillo National Resource Center for Plutonium, Amarillo, TX

  1. Advanced Distribution Management Systems for Grid Modernization --

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    High-Level Use Cases for DMS | Argonne National Laboratory Advanced Distribution Management Systems for Grid Modernization -- High-Level Use Cases for DMS Title Advanced Distribution Management Systems for Grid Modernization -- High-Level Use Cases for DMS Publication Type Report Year of Publication 2016 Authors Wang, J, Lu, X, Reilly, JT, Martino, S Series Title Foundational Report Series: Advanced Distribution Management Systems for Grid Modernization Date Published 02/10/2016 Institution

  2. Nuclear Data Sheets for A=150

    SciTech Connect (OSTI)

    Basu, S.K.; Sonzogni, A.A.

    2013-04-15

    The experimental results from the various reaction and decay studies leading to nuclides in the A=150 mass chain have been reviewed. These data are summarized and presented, together with the adopted level schemes and properties, for the nuclides from Cs(Z=55) through Lu(Z=71). This evaluation replaces the previous evaluation by E. der Mateosian and J. K. Tuli (1995De28), which appeared in Nuclear Data Sheets 75, 827 (1995)

  3. DC Microgrids-Part I: A Review of Control Strategies and Stabilization

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Techniques | Argonne National Laboratory I: A Review of Control Strategies and Stabilization Techniques Title DC Microgrids-Part I: A Review of Control Strategies and Stabilization Techniques Publication Type Journal Article Year of Publication 2016 Authors Dragicevic, T, Lu, X, Vasquez, JC, Guerrero, JM Journal IEEE Transaction on Power Electronics Volume 31 Start Page 4876 Issue 7 Pagination 16 Date Published 07012016 ISSN 0885-8993 Keywords coordinated control, DC microgrid, impedance

  4. DC Microgrids-Part II: A Review of Power Architectures, Applications, and

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Standardization Issue | Argonne National Laboratory II: A Review of Power Architectures, Applications, and Standardization Issue Title DC Microgrids-Part II: A Review of Power Architectures, Applications, and Standardization Issue Publication Type Journal Article Year of Publication 2016 Authors Dragicevic, T, Lu, X, Vasquez, JC Journal IEEE Transaction on Power Electronics Volume 31 Start Page 3528 Issue 5 Pagination 22 Date Published 05012016 ISSN 0885-8993 Keywords DC microgrid, power

  5. Phase Competition in Trisected Superconducting Dome (Journal Article) |

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Journal Article: Phase Competition in Trisected Superconducting Dome Citation Details In-Document Search Title: Phase Competition in Trisected Superconducting Dome Authors: Vishik, I.M. ; Hashimoto, M ; He, Rui-Hua ; Lee, Wei-Sheng ; Schmitt, Felix ; Lu, Donghui ; Moore, R.G. ; Zhang, C. ; Meevasana, W. ; Sasagawa, T. ; Uchida, S. ; Fujita, Kazuhiro ; Ishida, S. ; Ishikado, M. ; Yoshida, Yoshiyuki ; Eisaki, Hiroshi ; Hussain, Zaheed ; Devereaux, Thomas P. ; Shen, Zhi-Xun

  6. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Lu, Di" Name Name ORCID Product Type: All Book/Monograph Conference/Event Journal Article Miscellaneous Patent Program Document Software Manual Technical Report Thesis/Dissertation Subject: Identifier Numbers: Site: All Alaska Power Administration, Juneau, Alaska (United States) Albany Research Center (ARC), Albany, OR (United States) Albuquerque Complex - NNSA Albuquerque Operations Office, Albuquerque, NM (United States) Amarillo National Resource Center for Plutonium, Amarillo, TX

  7. Main Title 32pt

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Jacqueline Chen Combustion Research Facility Sandia National Laboratories jhchen@sandia.gov First Annual Conference of the Combustion Energy Frontier Research Center (CEFRC) September 23-24, 2010 Princeton University Computing allocations from DOE INCITE grants at NCCS/ORNL and NERSC Direct Numerical Simulation of High Pressure, Mixed Mode Turbulent Combustion Acknowledgments Contributions from: Edward Richardson, Chun Sang Yoo, Tianfeng Lu, Chung Law, Gaurav Bansal (EFRC postdoc) Research

  8. Research Highlight

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Turbulent Entrainment-Mixing Processes in Cumuli Download a printable PDF Submitter: Liu, Y., Brookhaven National Laboratory Area of Research: Cloud Processes Working Group(s): Cloud Life Cycle Journal Reference: Lu C, Y Liu, and S Niu. 2014. "Entrainment mixing parameterization in shallow cumuli and effects of secondary mixing events." Chinese Science Bulletin, 59(9), doi:10.1007/s11434-013-0097-1. Relationships between homogeneous mixing degree (ψ3) and two transition scale numbers

  9. Volumetric Excise Tax Credit for Alternative Fuels (released in AEO2006)

    Reports and Publications

    2006-01-01

    On August 10, 2005, President Bush signed into law the Safe, Accountable, Flexible, and Efficient Transportation Equity Act: A Legacy for Users (SAFETEA-LU)]. The act includes authorization for a multitude of transportation infrastructure projects, establishes highway safety provisions, provides for research and development, and includes a large number of miscellaneous provisions related to transportation, most of which are not included in Annual Energy Outlook 2006 because their energy impacts are vague or undefined.

  10. Cr-doped scandium borate laser

    DOE Patents [OSTI]

    Chai, Bruce H.; Lai, Shui T.; Long, Margaret N.

    1989-01-01

    A broadly wavelength-tunable laser is provided which comprises as the laser medium a single crystal of MBO.sub.3 :Cr.sup.3+, where M is selected from the group of Sc, In and Lu. The laser may be operated over a broad temperature range from cryogenic temperatures to elevated temperatures. Emission is in a spectral range from red to infrared, and the laser is useful in the fields of defense, communications, isotope separation, photochemistry, etc.

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

    DOE Patents [OSTI]

    Phillips, Mark L. F.

    1998-01-01

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

  12. Anharmonicity in nuclear wobbling motion

    SciTech Connect (OSTI)

    Oi, M.

    2007-09-15

    An unexpected strong anharmonicity was observed in the wobbling spectrum in {sup 163}Lu. In an attempt to understand what causes the deviation from the original wobbling model by Bohr and Mottelson, an analysis is presented using several different approaches, such as exact diagonalization, a semiclassical model to deal with anharmonic wobbling motion, and a microscopic method based on the self-consistent cranking calculation.

  13. Accelerating Subsurface Transport Simulation on Heterogeneous Clusters

    SciTech Connect (OSTI)

    Villa, Oreste; Gawande, Nitin A.; Tumeo, Antonino

    2013-09-23

    Reactive transport numerical models simulate chemical and microbiological reactions that occur along a flowpath. These models have to compute reactions for a large number of locations. They solve the set of ordinary differential equations (ODEs) that describes the reaction for each location through the Newton-Raphson technique. This technique involves computing a Jacobian matrix and a residual vector for each set of equation, and then solving iteratively the linearized system by performing Gaussian Elimination and LU decomposition until convergence. STOMP, a well known subsurface flow simulation tool, employs matrices with sizes in the order of 100x100 elements and, for numerical accuracy, LU factorization with full pivoting instead of the faster partial pivoting. Modern high performance computing systems are heterogeneous machines whose nodes integrate both CPUs and GPUs, exposing unprecedented amounts of parallelism. To exploit all their computational power, applications must use both the types of processing elements. For the case of subsurface flow simulation, this mainly requires implementing efficient batched LU-based solvers and identifying efficient solutions for enabling load balancing among the different processors of the system. In this paper we discuss two approaches that allows scaling STOMP's performance on heterogeneous clusters. We initially identify the challenges in implementing batched LU-based solvers for small matrices on GPUs, and propose an implementation that fulfills STOMP's requirements. We compare this implementation to other existing solutions. Then, we combine the batched GPU solver with an OpenMP-based CPU solver, and present an adaptive load balancer that dynamically distributes the linear systems to solve between the two components inside a node. We show how these approaches, integrated into the full application, provide speed ups from 6 to 7 times on large problems, executed on up to 16 nodes of a cluster with two AMD Opteron 6272

  14. REM Handling Procedures | The Ames Laboratory

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    REM Handling Procedures Below are recommended handling procedures for the Rare Earth Metals. Keep in mind that these procedures are intended for very high purity metals, and alternative procedures may exist or be better suited to your facilities' capabilities. Please consult with your safety officer(s) before employing any of these procedures. The procedures are grouped by element: La, Ce, Pr & Nd Sc, Y, Gd, Tb, Dy, Ho, Er, Tm and Lu Sm & Yb Eu RECOMMENDED HANDLING PROCEDURES FOR: La,

  15. Structural mapping of disordered materials by principal component analysis

    Office of Scientific and Technical Information (OSTI)

    of nanobeam diffraction datasets. (Journal Article) | SciTech Connect Journal Article: Structural mapping of disordered materials by principal component analysis of nanobeam diffraction datasets. Citation Details In-Document Search Title: Structural mapping of disordered materials by principal component analysis of nanobeam diffraction datasets. Authors: Gauntt, Bryan ; Lu, Ping Publication Date: 2012-04-01 OSTI Identifier: 1068371 Report Number(s): SAND2012-2753J DOE Contract Number:

  16. E

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    ... U, A342 s u- U r 2 2 IUUII0UU2 3U UUU U- N U UU U U m lU 1I E .1 IL ) I ) U S I U U S L Q; ... I.;U 0 1 IU U kU Ufl IUU U U LIU U . < 0 0 U2 I 00 C)0 000 ID80 0 0 0 0 00 0 0 o0 o 0 ...

  17. awards-kick-off-review-2014 | netl.doe.gov

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    2014 HBCU/UCR Joint Kickoff Meeting Project Descriptions Agenda University of Nebraska at Lincoln - FE0023061 Vertically Aligned Carbon-Nanotubes Embedded in Ceramic Matrices for Hot Electrode Applications PI: Yongfeng Lu FPM: Barbara Carney The objective of this project is to develop carbon nanotube (CNT)-ceramic (C) composite structures, in which vertically aligned (VA) carbon nanotubes are embedded in ceramic matrices for hot electrode applications such as magneto-hydrodynamic (MHD) power

  18. Detailed photonuclear cross-section calculations and astrophysical applications

    SciTech Connect (OSTI)

    Gardner, D.G.; Gardner, M.A.; Hoff, R.W.

    1989-06-15

    We have investigated the role of an isomeric state and its coupling to the ground state (g.s.) via photons and neutron inelastic scattering in a stellar environment by making detailed photonuclear and neutron cross-section calculations for /sup 176/Lu and /sup 210/Bi. In the case of /sup 176/Lu, the g.s. would function as an excellent galactic slow- (s-) process chronometer were it not for the 3.7-h isomer at 123 keV. Our calculations predicted much larger photon cross sections for production of the isomer, as well as a lower threshold, than had been assumed based on earlier measurements. These two factors combine to indicate that an enormous correction, a factor of 10/sup 7/, must be applied to shorten the current estimate of the half-life against photoexcitation of /sup 176/Lu as a function of temperature. This severely limits the use of /sup 176/Lu as a stellar chronometer and indicates a significantly lower temperature at which the two states reach thermal equilibrium. For /sup 210/Bi, our preliminary calculations of the production and destruction of the 3 /times/ 10/sup 6/ y isomeric state by neutrons and photons suggest that the /sup 210/Bi isomer may not be destroyed by photons as rapidly as assumed in certain stellar environments. This leads to an alternate production path of /sup 207/Pb and significantly affects presently interpreted lead isotopic abundances. We have been able to make such detailed nuclear cross-section calculations using: modern statistical-model codes of the Hauser-Feshbach type, with complete conservation of angular momentum and parity; reliable systematics of the input parameters required by these codes, including knowledge of the absolute gamma-ray strength-functions for E1, M1, and E2 transitions; and codes developed to compute large, discrete, nuclear level sets, their associated gamma-ray branchings, and the presence and location of isomeric states. 7 refs., 2 figs.

  19. Operated by Los Alamos National Security, LLC for NNSA

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    NNSA The "115" Superconductors Filip Ronning Los Alamos National Lab Eric Bauer Fedor Balakirev Xin Lu Marc Janoschek Roman Movshovich Joe Thompson Vladamir Sidorov Jianxin Zhu (LANL) Soonbeom Seo Tuson Park (SKKU) Zach Fisk (UC Irvine) Philip Moll (ETH) Hiro Sakai (JAEA) Hiroshi Yasuoka (JAEA) Luis Balicas (NHMFL) Operated by Los Alamos National Security, LLC for NNSA * 115 heavy fermion primer * Non-universality of dopants (Cd vs. Sn doping) * Influence on quantum criticality and

  20. Nano science and engineering in nuclear … what can we do?

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    irradiation tolerance of steels via nanostructuring by innovative manufacturing techniques Haiming Wen Idaho State University Superextensibility of nc-Cu at room T Lu et al. Science (2000) Superlattice nanowire Cu(50Å)/ Co(-Cu)(50Å) Schwarzacher, et al, IEEE Trans. Magnetics (1996) Giant Magnetoresistance (GMR) Conductive fine probe with a few nm diameter Carbon Nanotubes Why We Need to Go into NANO 2 Why We Need to Go into NANO Decreasing Diameter Single-crystalline metals Smaller is Stronger

  1. NURETH14-121

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Macintosh HD:Users:gretartryggvason:Desktop:NURETH-14:NURETH14-121.doc NURETH14-121 DNS FOR MULTIPHASE FLOW MODEL GENERATION AND VALIDATION G. Tryggvason 1 and J. Lu 2 1 University of Notre Dame, Indiana, USA 2 Worcester Polytechnic Institute, Massachusetts, USA Abstract The modeling of averaged properties of multiphase flows has traditionally suffered from the lack of detailed and reliable data against which closure models can be validated. Direct Numerical Simulations (DNS) have now advanced

  2. LANL Deliverable to the Big Sky Carbon Sequestration Partnership:

    Office of Scientific and Technical Information (OSTI)

    Preliminary CO2-PENS model (Technical Report) | SciTech Connect LANL Deliverable to the Big Sky Carbon Sequestration Partnership: Preliminary CO2-PENS model Citation Details In-Document Search Title: LANL Deliverable to the Big Sky Carbon Sequestration Partnership: Preliminary CO2-PENS model Authors: Stauffer, Philip H. [1] ; Dai, Zhenxue [1] ; Lu, Zhiming [1] ; Middleton, Richard S. [1] ; Jacobs, John F. [1] ; Carey, James W. [1] + Show Author Affiliations Los Alamos National Laboratory

  3. Sudhanshu Sharma | Center for Bio-Inspired Solar Fuel Production

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Principal Investigators Postdoctoral Fellows Center researchers Graduate Students Undergraduate Students All Bisfuel Center Personnel Barun Das Bhupesh Goyal Jackson Megiatto Lu Gan Matthieu Koepf Matthieu Walther Sandip Shinde Sudhanshu Sharma Sudhanshu Sharma Postdoctoral Fellow (2011-2012) Subtask 5 project: "Nanoporous Transition Metal-Doped ATO and Metal Oxide Composite Materials and Their Electrochemical Properties" Subtask 1 * Subtask 2 * Subtask 3 * Subtask 4 * Subtask 5

  4. Trilinos

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Trilinos Trilinos Description and Overview Trilinos is a Cray-provided package that provides abstract, object-oriented interfaces to established libraries such as Metis/ParMetis, SuperLU, Aztec, BLAS, and LAPACK. The Trilinos Project is an ongoing effort to develop and implement robust algorithms and enabling technologies using modern object-oriented software design. Trilinos emphasizes abstract interfaces for maximum component interchangeability and provides a full-featured set of concrete

  5. Charge Transport within a Three-Dimensional DNA Nanostructure Framework

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Characters Characters Meet the characters of the game! Meet the characters of the game! Dr Raoul Fernandez's profile Helena Edison's profile Jerome Zabel's profile Nancy Sanders' profile Roc Bridges' profile

    Charge Transport within a Three-Dimensional DNA Nanostructure Framework Authors: Lu, N., Pei, H., Ge, Z., Simmons, C.R., Yan, H., and Fan, C. Title: Charge Transport within a Three-Dimensional DNA Nanostructure Framework Source: Journal of the American Chemical Society Year: 2012 Volume:

  6. A single domain antibody fragment that recognizes the adaptor ASC defines

    Office of Scientific and Technical Information (OSTI)

    the role of ASC domains in inflammasome assembly (Journal Article) | SciTech Connect A single domain antibody fragment that recognizes the adaptor ASC defines the role of ASC domains in inflammasome assembly Citation Details In-Document Search Title: A single domain antibody fragment that recognizes the adaptor ASC defines the role of ASC domains in inflammasome assembly Authors: Schmidt, Florian I. ; Lu, Alvin ; Chen, Jeff W. ; Ruan, Jianbin ; Tang, Catherine ; Wu, Hao ; Ploegh, Hidde L.

  7. Active control of magnetoresistance of organic spin valves using

    Office of Scientific and Technical Information (OSTI)

    ferroelectricity (Journal Article) | SciTech Connect Active control of magnetoresistance of organic spin valves using ferroelectricity Citation Details In-Document Search Title: Active control of magnetoresistance of organic spin valves using ferroelectricity Authors: Sun, Da-Li [1] ; Xu, Xiaoshan [1] ; Jiang, Lu [1] ; Guo, Hangwen [1] ; Lee, Ho Nyung [1] ; Snijders, Paul C [1] ; Ward, Thomas Zac [1] ; Gai, Zheng [1] ; Zhang, Xiaoguang [1] ; Shen, Jian [2] + Show Author Affiliations ORNL

  8. Bonding of Metallic Nanoparticles. (Conference) | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Bonding of Metallic Nanoparticles. Citation Details In-Document Search Title: Bonding of Metallic Nanoparticles. Abstract not provided. Authors: Chandross, Michael Evan ; Boyle, Timothy J. ; Clark, Blythe ; Lu, Ping Publication Date: 2014-02-01 OSTI Identifier: 1140562 Report Number(s): SAND2014-1223C 499204 DOE Contract Number: AC04-94AL85000 Resource Type: Conference Resource Relation: Conference: Proposed for presentation at the TMS annual meeting held February 16-20, 2014 in San Diego

  9. Native Chemical Ligation in Covalent Caspase Inhibition by p35 (Journal

    Office of Scientific and Technical Information (OSTI)

    Article) | SciTech Connect Native Chemical Ligation in Covalent Caspase Inhibition by p35 Citation Details In-Document Search Title: Native Chemical Ligation in Covalent Caspase Inhibition by p35 Authors: Lu, Miao ; Min, Tongpil ; Eliezer, David ; Wu, Hao [1] + Show Author Affiliations Weill-Med Publication Date: 2015-10-15 OSTI Identifier: 1223965 Resource Type: Journal Article Resource Relation: Journal Name: Chem. Biol.; Journal Volume: 13; Journal Issue: 2 Research Org: Advanced Photon

  10. New Porous Crystals of Extended Metal-Catecholates (Journal Article) |

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Journal Article: New Porous Crystals of Extended Metal-Catecholates Citation Details In-Document Search Title: New Porous Crystals of Extended Metal-Catecholates Authors: Hmadeh, Mohamad ; Lu, Zheng ; Liu, Zheng ; Gándara, Felipe ; Furukawa, Hiroyasu ; Wan, Shun ; Augustyn, Veronica ; Chang, Rui ; Liao, Lei ; Zhou, Fei ; Perre, Emilie ; Ozolins, Vidvuds ; Suenaga, Kazu ; Duan, Xiangfeng ; Dunn, Bruce ; Yamamto, Yasuaki ; Terasaki, Osamu ; Yaghi, Omar M. [1] ; SMBU) [2] ;

  11. New porous crystals of extended metal-catecholates (Journal Article) |

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect New porous crystals of extended metal-catecholates Citation Details In-Document Search Title: New porous crystals of extended metal-catecholates Authors: Hmadeh, Mohamad ; Lu, Zheng ; Liu, Zheng ; Gándara, Felipe ; Furukawa, Hiroyasu ; Wan, Shun ; Augustyn, Veronica ; Cheng, Rui ; Liao, Lei ; Zhou, Fei ; Perre, Emilie ; Ozolins, Vidvuds ; Duan, Xiangfeng ; Dunn, Bruce ; Yamamoto, Yasuaki ; Terasaki, Osamu ; Yaghi, Omar M. Publication Date: 2012-09-25 OSTI Identifier: 1081172

  12. Phenoxy-mercapto derivatives of Group 4 alkoxides as core-shell precursors

    Office of Scientific and Technical Information (OSTI)

    to Group 4 ceramic-coinage metal nanomaterials. (Conference) | SciTech Connect Phenoxy-mercapto derivatives of Group 4 alkoxides as core-shell precursors to Group 4 ceramic-coinage metal nanomaterials. Citation Details In-Document Search Title: Phenoxy-mercapto derivatives of Group 4 alkoxides as core-shell precursors to Group 4 ceramic-coinage metal nanomaterials. Abstract not provided. Authors: Neville, Michael Luke ; Boyle, Timothy J. ; Parkes, Marie Vernell ; Lu, Ping Publication Date:

  13. Thermodynamic Investigations of Lithium- and Manganese-Rich Transition

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Metal Oxides | Department of Energy Thermodynamic Investigations of Lithium- and Manganese-Rich Transition Metal Oxides Thermodynamic Investigations of Lithium- and Manganese-Rich Transition Metal Oxides 2013 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting es192_lu_2013_p.pdf (2.1 MB) More Documents & Publications Vehicle Technologies Office Merit Review 2014: Electrochemical Modeling of LMR-NMC Materials and Electrodes

  14. Screening of Electrode Materials & Cell Chemistries and Streamlining

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Optimization of Electrodes | Department of Energy Screening of Electrode Materials & Cell Chemistries and Streamlining Optimization of Electrodes Screening of Electrode Materials & Cell Chemistries and Streamlining Optimization of Electrodes 2012 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting es028_lu_2012_o.pdf (2.32 MB) More Documents & Publications Cell Fabrication Facility Team Production and Research

  15. Wind Energy Impacts: Slides

    WindExchange

    help to alleviate common misconceptions about wind energy. Wind Energy Impacts Photo from Invenergy LLC, NREL 14371 Wildlife impacts vary by location,* and new developments have helped to reduce these effects. Photo from LuRay Parker, NREL 17429 Wind Energy Impacts Pre- and post-development studies, educated siting, and curtailment during high-activity periods have decreased wildlife impacts.** Additional strategies are being researched to better understand and further decrease impacts.

  16. High-Tc Superconductor

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Donghui Lu, Kyle Shen, and Zhi-Xun Shen Departments of Applied Physics, Physics, and Stanford Synchrotron Radiation Laboratory, Stanford University, Stanford, CA 94305 High-temperature superconductors (HTSC's), following their remarkable discovery in 1986, continue to be at the center stage of modern condensed matter physics. Despite great efforts from both theoretical and experimental sides, the mechanism of HTSC still remains elusive. One of the most peculiar aspects of HTSC's is that their

  17. Nuclear Data Sheets for A=182

    SciTech Connect (OSTI)

    Singh, Balraj; Roediger, Joel C.

    2010-08-15

    Nuclear spectroscopic information for known nuclides of mass number 182 (Lu,Hf,Ta,W,Re,Os,Ir,Pt,Au,Hg, Tl,Pb) with Z=71 to 82 and N=111 to 100 have been evaluated and presented together with adopted energies and J{pi} of levels in these nuclei. No excited state data are yet available for {sup 182}Lu, while only limited structure information is available for {sup 182}Pb and {sup 182}Tl. Rotational band structures are known for {sup 182}Hg and {sup 182}Au but spin-parity assignments remain largely tentative. The decays of {sup 182}Lu, {sup 182}Hg, {sup 182}Au and {sup 182}Tl are not well established. The {sup 182}Hf isotope is of geophysical and astrophysical interest. This evaluation supersedes previous full evaluations of A=182 published by 1988Fi05 and 1975Sc13, and a selected (mainly high-spin) update of A=182 published by 1995Si04.

  18. Mechanism-based inhibition of cancer metastasis with (?)-epigallocatechin gallate

    SciTech Connect (OSTI)

    Takahashi, Atsushi; Graduate School of Science and Engineering, Saitama University, Saitama 338-8570; Green Tea Laboratory, Saitama Prefectural Agriculture and Forestry Research Center, Saitama 358-0042 ; Watanabe, Tatsuro; Mondal, Anupom; Suzuki, Kaori; Kurusu-Kanno, Miki; Li, Zhenghao; Yamazaki, Takashi; Graduate School of Science and Engineering, Saitama University, Saitama 338-8570 ; Fujiki, Hirota; Suganuma, Masami

    2014-01-03

    Highlights: EGCG reduced cell motility of highly metastatic human lung cancer cells. EGCG increased cell stiffness of the cells, indicating the inhibition of phenotypes of EMT. EGCG inhibited expression of vimentin and Slug in the cells at the leading edge of scratch. Treatment of M?CD increased cell stiffness, and inhibited cell motility and vimentin expression. Inhibition of EMT phenotypes with EGCG is a mechanism-based inhibition of cancer metastasis. -- Abstract: Cell motility and cell stiffness are closely related to metastatic activity of cancer cells. (?)-Epigallocatechin gallate (EGCG) has been shown to inhibit spontaneous metastasis of melanoma cell line into the lungs of mice, so we studied the effects of EGCG on cell motility, cell stiffness, and expression of vimentin and Slug, which are molecular phenotypes of epithelialmesenchymal transition (EMT). Treatments of human non-small cell lung cancer cell lines H1299 and Lu99 with 50 and 100 ?M EGCG reduced cell motility to 67.5% and 43.7% in H1299, and 71.7% and 31.5% in Lu99, respectively in in vitro wound healing assay. Studies on cell stiffness using atomic force microscope (AFM) revealed that treatment with 50 ?M EGCG increased Youngs modulus of H1299 from 1.24 to 2.25 kPa and that of Lu99 from 1.29 to 2.28 kPa, showing a 2-fold increase in cell stiffness, i.e. rigid elasticity of cell membrane. Furthermore, treatment with 50 ?M EGCG inhibited high expression of vimentin and Slug in the cells at a leading edge of scratch. Methyl-?-cyclodextrin, a reagent to deplete cholesterol in plasma membrane, showed inhibition of EMT phenotypes similar that by EGCG, suggesting that EGCG induces inhibition of EMT phenotypes by alteration of membrane organization.

  19. Principles of isotope geology. Second edition

    SciTech Connect (OSTI)

    Faure, G.

    1986-01-01

    This is a text in isotope geology/geoscience that integrates material taught in various courses into a unified picture of the earth sciences. It presents an exposition of the principles used in the interpretation of isotopic data and shows how such interpretations apply to the solution of geological problems. References up to 1985 are included with chapters in this edition. New chapters on Sm-Nd, Lu-Hf Re-Os, and K-Ca decay schemes and cosmogenic radionuclides have been added. Data summaries and references have been expanded.

  20. Slide 1

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Atom Trap @ ATLAS Zheng-Tian Lu Li-Bang Wang 2006 APS Dissertation Award in NP Peter Mueller 2010 IUPAP Young Scientist Prize in NP Proton and Matter Radii of Proton and Matter Radii of 6 6 He & He & 8 8 He He 1.4 1.6 1.8 2.0 2.2 2.4 2.6 2.8 Nuclear Radii, fm 4 He rms point-proton matter Experiment Theory 8 He 6 He 4 He proton matter Experiment Theory Nuclear Radii, fm Wang et al., PRL (2004) Mueller et al., PRL (2007) Laser Spectroscopy @ CARIBU Laser Spectroscopy @ CARIBU -- -- Peter

  1. Development of vertically aligned ZnO-nanowires scintillators for high spatial resolution x-ray imaging

    SciTech Connect (OSTI)

    Kobayashi, Masakazu Komori, Jun; Shimidzu, Kaiji; Izaki, Masanobu; Uesugi, Kentaro; Takeuchi, Akihisa; Suzuki, Yoshio

    2015-02-23

    Newly designed scintillator of (0001)-oriented ZnO vertical nanowires (vnws) for X-ray imaging was prepared on a Ga-doped ZnO/soda-lime glass by electrodeposition, and the light emission feature was estimated in a synchrotron radiation facility. The ZnO-vnws scintillator revealed a strong light emission and improved resolution on CMOS image compared with that for the ZnO-layer scintillator, although the light emission performance was deteriorated in comparison to the Lu{sub 3}Al{sub 5}O{sub 12:}Ce{sup 3+}. The light emission property closely related to the nanostructure and the resultant photoluminescence characteristic.

  2. HEP-v2-for-dist

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Case S tudy: C on.nuing S tudies o f P lasma B ased Accelerators ( mp113) * PI: W. B. Mori (UCLA) * Presenter: F. S. Tsung (UCLA) Users: W. An, A. Davidson, V. K. Decyk, (UCLA), J. Vieira, L. Silva (IST), W. Lu (UCLA/ Tsinghua) F. S. Tsung, HEP Workshop HEP R equirements: Con.nuing S tudies o f P lasma B ased A ccelerators ( mp113) (PI: W . B . M ori, P resenter: F . S . T sung) An alternate scheme to accelerate particles using plasmas is the Plasma WakeField Accelerator (PWFA) concept where a

  3. Structured Multifrontal Sparse Solver

    Energy Science and Technology Software Center (OSTI)

    2014-05-01

    StruMF is an algebraic structured preconditioner for the interative solution of large sparse linear systems. The preconditioner corresponds to a multifrontal variant of sparse LU factorization in which some dense blocks of the factors are approximated with low-rank matrices. It is algebraic in that it only requires the linear system itself, and the approximation threshold that determines the accuracy of individual low-rank approximations. Favourable rank properties are obtained using a block partitioning which is amore » refinement of the partitioning induced by nested dissection ordering.« less

  4. Cool Science on a Hot Day as 3,000 Flock to PPPL's June 1 Open House |

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Princeton Plasma Physics Lab Cool Science on a Hot Day as 3,000 Flock to PPPL's June 1 Open House By Jeanne Jackson DeVoe June 5, 2013 Tweet Widget Google Plus One Share on Facebook PPPL Science Writer John Greenwald, right, shows off a plasma demonstration machine at PPPL's Open House, as David and Sophia Lu, of West Windsor, and their son Daniel, 6, look on. (Photo by Photo by Elle Starkman, PPPL Office of Communications) PPPL Science Writer John Greenwald, right, shows off a plasma

  5. Cross-Section Measurement

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Cross-Section Measurement of 2 H(n,np)n at 16 MeV in Symmetric Constant Relative Energy Configurations Alexander Hoff Couture A dissertation submitted to the faculty of the University of North Carolina at Chapel Hill in partial fulfillment of the requirements for the degree of Doctor of Philosophy in the Department of Physics and Astronomy. Chapel Hill 2011 Approved by: T. B. Clegg, Advisor C. R. Howell, Advisor H. J. Karwowski, Reader J. Lu, Reader J. Engel, Reader c 2011 Alexander Hoff Couture

  6. Metrics for Evaluating the Accuracy of Solar Power Forecasting: Preprint

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Metrics for Evaluating the Accuracy of Solar Power Forecasting Preprint J. Zhang, B.-M. Hodge, and A. Florita National Renewable Energy Laboratory S. Lu and H. F. Hamann IBM TJ Watson Research Center V. Banunarayanan U.S. Department of Energy To be presented at 3rd International Workshop on Integration of Solar Power into Power Systems London, England October 21 - 22, 2013 Conference Paper NREL/CP-5500-60142 October 2013 NOTICE The submitted manuscript has been offered by an employee of the

  7. Sandia R E S E A R H J

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    a n a u r y 2 0 1 5 * Vo l 2 , Is s u e 3 When you A B S O LU T E LY P O S I T I V E LY have to get it right 2 w w w. s a n d i a . g o v Sandia Research is a quarterly magazine published by Sandia National Laboratories. Sandia is a multiprogram engi- neering and science laboratory operated by Sandia Corporation, a Lockheed Martin company, for the U.S. Department of Energy. With main facilities in Albuquerque, New Mexico, and Livermore, California, Sandia has research and development

  8. Research Highlight

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Improving Entrainment Rate Parameterization Download a printable PDF Submitter: Liu, Y., Brookhaven National Laboratory Area of Research: Cloud Processes Working Group(s): Cloud Life Cycle Journal Reference: Lu C, Y Liu, GJ Zhang, X Wu, S Endo, L Cao, Y Li, and X Guo. 2016. "Improving parameterization of entrainment rate for shallow convection with aircraft measurements and large-eddy simulations." Journal of the Atmospheric Sciences, 73(2), doi:10.1175/JAS-D-15-0050.1. Relationships

  9. Resonance electronic Raman scattering in rare earth crystals

    SciTech Connect (OSTI)

    Williams, G.M.

    1988-11-10

    The intensities of Raman scattering transitions between electronic energy levels of trivalent rare earth ions doped into transparent crystals were measured and compared to theory. A particle emphasis was placed on the examination of the effect of intermediate state resonances on the Raman scattering intensities. Two specific systems were studied: Ce/sup 3 +/(4f/sup 1/) in single crystals of LuPO/sub 4/ and Er/sup 3 +/(4f/sup 11/) in single crystals of ErPO/sub 4/. 134 refs., 92 figs., 33 tabs.

  10. Argonne Physics Division - ATLAS

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    ATLAS 25th Anniversary Celebration Presentations Summary of the History of ATLAS W. F. Henning Reminiscences 1: From Whence did ATLAS arise? J. P. Schiffer Reminiscences 2: ATLAS 25th Anniversary Celebration R. Pardo Reminiscences 3: The Argonne-Notre Dame Gamma-ray Facility U. Garg Reminiscences 4: Atom Trap at ATLAS Z. T. Lu The Impact of ATLAS on SRF Development and Applications R. E. Laxdel Technical Challenges in Low-velocity SRF Development M. Kelly Offsprings of ATLAS - the Florida State

  11. Devices capable of removing silicon and aluminum from gaseous atmospheres

    DOE Patents [OSTI]

    Spengler, Charles J.; Singh, Prabhakar

    1989-01-01

    An electrochemical device is made of a containment vessel (30) optional ceramic material within the containment vessel and including one or more electrochemical cells (10), the cells containing a porous exposed electrode (11) in contact with a solid electrolyte, where at least one of the exposed electrode, the containment vessel, and the optional ceramic material contains a deposit selected from metal oxide and metal salt capable of forming a metal oxide upon heating, where the metal is selected from the group consisting of Ce, Sm, Mg, Be, Ca, Sr, Ti, Zr, Hf, Y, La, Pr, Nb, Pm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Th, U, and their mixtures.

  12. Phosphor blends for high-CRI fluorescent lamps

    SciTech Connect (OSTI)

    Setlur, Anant Achyut; Srivastava, Alok Mani; Comanzo, Holly Ann; Manivannan, Venkatesan; Beers, William Winder; Toth, Katalin; Balazs, Laszlo D.

    2008-06-24

    A phosphor blend comprises at least two phosphors each selected from one of the groups of phosphors that absorb UV electromagnetic radiation and emit in a region of visible light. The phosphor blend can be applied to a discharge gas radiation source to produce light sources having high color rendering index. A phosphor blend is advantageously includes the phosphor (Tb,Y,LuLa,Gd).sub.x(Al,Ga).sub.yO.sub.12:Ce.sup.3+, wherein x is in the range from about 2.8 to and including 3 and y is in the range from about 4 to and including 5.

  13. la02_02-20-04

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Dirt-cheap catalyst may lower fuel costs for H 2 -powered cars SANDIA RESEARCHERS, from right, Stan Chou, Bryan Kaehr, Jeff Brinker, Ping Lu, and Eric Coker, gather in a lab where improve- ments on the catalyst molybdenum disulfide, better known as molly, were achieved. (Photo by Randy Montoya) H ydrogen-powered cars don't pass carbon into the atmosphere. Unlike gasoline, which does, the com- bustion of hydrogen with oxygen produces an exhaust of only water. But hydrogen costs more. So Sandia

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

    DOE Patents [OSTI]

    Phillips, M.L.F.

    1998-04-28

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

  15. REFERENCE NO. OF DOCUMENT BEING CONTINUED AEO CONTINUATION SHEETI DE-AC27-08RV14800/075 [AG OF

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    SHEETI DE-AC27-08RV14800/075 [AG OF NAME OF OFFEROR OR CONTRACTOR WASHINGTON RIVER PROTECTION SOLUTIONS LLC ITEM NO. SUPPLIES/SERVICES QUANTITY JNIT UNIT PRICE AMOUNT (A) j(B) (C) (D) (E) (F) Account code: Fund 01250 Appr Year 2ulu Allottee 34 Reporting Entity 421301 Object Class 25200 Program 1110909 Project 0001481 WFO 0000000 Local Use 0000000 Amount: $5,918,827.27 Account code: WTP Support Funding for RFS OWTPO1 Fund 01250 Appr Year 2010 Allottee 34 R eporting Entity 421301 uuj1JeLu

  16. An object oriented design for high performance linear algebra on distributed memory architectures

    SciTech Connect (OSTI)

    Dongarra, J.J. |; Walker, D.W.; Pozo, R.

    1993-12-31

    We describe the design of ScaLAPACK++, an object oriented C++ library for implementing linear algebra computations on distributed memory multicomputers. This package, when complete, will support distributed dense, banded, sparse matrix operations for symmetric, positive-definite, and non-symmetric cases. In ScaLAPACK++ we have employed object oriented design methods to enchance scalability, portability, flexibility, and ease-of-use. We illustrate some of these points by describing the implementation of a right-looking LU factorization for dense systems in ScaLAPACK++.

  17. Three-center tight-binding potential model for C and Si (Journal Article) |

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Three-center tight-binding potential model for C and Si Citation Details In-Document Search Title: Three-center tight-binding potential model for C and Si Authors: Lu, Wen-Cai ; Wang, C. Z. ; Zhao, Li-Zhen ; Qin, Wei ; Ho, K. M. Publication Date: 2015-07-29 OSTI Identifier: 1204696 Grant/Contract Number: AC02-07CH11358 Type: Publisher's Accepted Manuscript Journal Name: Physical Review B Additional Journal Information: Journal Volume: 92; Journal Issue: 3; Journal ID: ISSN

  18. Towards High-Fidelity InGaN Interatomic Potentials. (Conference) | SciTech

    Office of Scientific and Technical Information (OSTI)

    Connect Conference: Towards High-Fidelity InGaN Interatomic Potentials. Citation Details In-Document Search Title: Towards High-Fidelity InGaN Interatomic Potentials. Abstract not provided. Authors: Zhou, Xiaowang ; Jones, Reese E. ; Lee, Stephen R. ; Koleske, Daniel ; Crawford, Mary H. ; Lu, Ping Publication Date: 2015-02-01 OSTI Identifier: 1238561 Report Number(s): SAND2015-0956C 566921 DOE Contract Number: AC04-94AL85000 Resource Type: Conference Resource Relation: Conference: Proposed

  19. Two Poplar-Associated Bacterial Isolates Induce Additive Favorable Responses in a Constructed Plant-Microbiome System

    Office of Scientific and Technical Information (OSTI)

    y frontiers in Plant Science ORIGINAL RESEARCH published: 26 April 2016 doi: 10.3389/fpls.2016.00497 <D CrossMark Two Poplar-Associated Bacterial Isolates Induce Additive Favorable Responses in a Constructed Plant-Microbiome System Collin M. Timm1*, Dale A. Pelletier1, Sara S. Jawdy1, Lee E. Gunter1, Jeremiah A. Henning2, Nancy Engle1, Jayde Aufrecht1,3, Emily Gee1, Intawat Nookaew1, Zamin Yang1, Tse-Yuan Lu1, Timothy J. Tschaplinski1, Mitchel J. Doktycz1, Gerald A. Tuskan1 and David J.

  20. Multifold Seebeck increase in RuO{sub 2} films by quantum-guided lanthanide dilute alloying

    SciTech Connect (OSTI)

    Music, Denis Basse, Felix H.-U.; Schneider, Jochen M.; Han, Liang; Borca-Tasciuc, Theo; Devender; Gengler, Jamie J.; Voevodin, Andrey A.; Ramanath, Ganpati

    2014-02-03

    Ab initio predictions indicating that alloying RuO{sub 2} with La, Eu, or Lu can increase the Seebeck coefficient ? manifold due to quantum confinement effects are validated in sputter-deposited La-alloyed RuO{sub 2} films showing fourfold ? increase. Combinatorial screening reveals that ? enhancement correlates with La-induced lattice distortion, which also decreases the thermal conductivity twentyfold, conducive for high thermoelectric figures of merit. These insights should facilitate the rational design of high efficiency oxide-based thermoelectrics through quantum-guided alloying.

  1. Synthesis, structural characterization and magnetic properties of RE{sub 2}MgGe{sub 2} (RE=rare-earth metal)

    SciTech Connect (OSTI)

    Suen, Nian-Tzu; Tobash, Paul H.; Bobev, Svilen

    2011-11-15

    A series of rare-earth metal-magnesium-germanides RE{sub 2}MgGe{sub 2} (RE=Y, Nd, Sm, Gd-Tm, Lu) has been synthesized by reactions of the corresponding elements at high temperature. Their structures have been established by single-crystal and powder X-ray diffraction and belong to the Mo{sub 2}FeB{sub 2} structure type (space group P4/mbm (No. 127), Z=2; Pearson symbol tP10). Temperature dependent DC magnetization measurements indicate Curie-Weiss paramagnetism in the high-temperature regime for all members of the family, excluding Y{sub 2}MgGe{sub 2}, Sm{sub 2}MgGe{sub 2}, and Lu{sub 2}MgGe{sub 2}. At cryogenic temperatures (ca. 60 K and below), most RE{sub 2}MgGe{sub 2} phases enter into an antiferromagnetic ground-state, except for Er{sub 2}MgGe{sub 2} and Tm{sub 2}MgGe{sub 2}, which do not undergo magnetic ordering down to 5 K. The structural variations as a function of the decreasing size of the rare-earth metals, following the lanthanide contraction, and the changes in the magnetic properties across the series are discussed as well. - Graphical Abstract: The structure of RE{sub 2}MgGe{sub 2} (RE=Y, Nd, Sm, Gd-Tm, Lu) can be best viewed as 2-dimensional slabs of Mg and Ge atoms (anionic sub-lattice), and layers of rare-earth metal atoms (cationic sub-lattice) between them. Within this description, one should consider the Ge-Ge dumbbells (formally Ge{sup 6-}{sub 2}), interconnected with square-planar Mg atom as forming flat [MgGe{sub 2}] layers (z=0), stacked along the c-axis with the layers at z=1/2, made of rare-earth metal cations (formally RE{sup 3+}). Highlights: > RE{sub 2}MgGe{sub 2} (RE=Y, Nd, Sm, Gd-Tm, Lu) are new ternary germanides. > Their structures can be recognized as a 1:1 intergrowth of CsCl- and AlB{sub 2}-like slabs. > Ge atoms are covalently bound into Ge{sub 2} dumbbells. > Most RE{sub 2}MgGe{sub 2} phases are antiferromagnetically ordered at cryogenic temperatures.

  2. | Center for Bio-Inspired Solar Fuel Production

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Subtask 1 Subtask 2 Subtask 3 Subtask 4 Subtask 5 Published Research Highlights Submitted to DOE Click on a slide to enlarge Megiatto et al (2014) A bioinspired redox relay that mimics radical interactions of the Tyr-His pairs of photosystem II, Nature Chemistry, Published online 9 Feb, 2014, doi: 10.1038/nchem.1862 Mukhopadhyay et al (2014) A highly active manganese precatalyst for the hydrosilylation of ketones and esters. J. Am. Chem. Soc., 136 (3), 882-885. Lu et al (2012) Charge Transport

  3. FREQUENCY DEPENDENCE OF THE POWER-LAW INDEX OF SOLAR RADIO BURSTS

    SciTech Connect (OSTI)

    Song Qiwu; Huang Guangli; Tan Baolin E-mail: glhuang@pmo.ac.cn

    2012-05-10

    We process solar flare observations of Nobeyama Radio Polarimeters with an improved maximum likelihood method developed recently by Clauset et al. The method accurately extracts power-law behaviors of the peak fluxes in 486 radio bursts at six frequencies (1-35 GHz) and shows an excellent performance in this study. The power-law indices on 1-35 GHz given by this study vary around 1.74-1.87, which is consistent with earlier statistics in different solar cycles and very close to the simulations of the avalanche model by Lu.

  4. NURETH15-FINAL

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    5 th International Topical Meeting on Nuclear Reactor Thermal - Hydraulics, NURETH-15 NURETH15-685 Pisa, Italy, May 12-17, 2013 MULTISCALE ISSUES IN DNS OF MULTIPHASE FLOW G. Tryggvason 1 , B. Aboulhasanzadeh 1 , S. Dabiri 1 , and J. Lu 2, 1 University of Notre Dame, Indiana, USA 2 Worcester Polytechnic Institute, Massachusetts, USA gtryggva@nd.edu, baboulha@nd.edu, Sadegh.Dabiri.1@nd.edu, jlu@wpi.edu ABSTRACT Direct Numerical Simulations (DNS) of bubbly flows are rapidly allowing studies of

  5. Head Erosion with Emittance Growth in PWFA (Conference) | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Conference: Head Erosion with Emittance Growth in PWFA Citation Details In-Document Search Title: Head Erosion with Emittance Growth in PWFA Authors: Li, S.Z. ; /SLAC ; Adli, E. ; /SLAC /U. Oslo ; England, R.J. ; Frederico, J. ; Gessner, S.J. ; Hogan, M.J. ; Litos, M.D. ; Walz, D.R. ; /SLAC ; Muggli, P. ; /Munich, Max Planck Inst. ; An, W. ; Clayton, C.E. ; Joshi, C. ; Lu, W. ; Marsh, K.A. ; Mori, W. ; Vafaei, N. more »; /UCLA « less Publication Date: 2012-08-08 OSTI Identifier: 1053431 Report

  6. Slide 1

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Pre-Designed Single-Molecule Traps for CO 2 Capture Scientific Achievement Advanced porous solids with "single-molecule trap" (SMT), a precisely pre-designed cavity at molecular level suitable for trapping CO 2 have been synthesized and developed. JR Li, J Yu, W Lu, LB Sun, J Sculley, PB Balbuena, HC Zhou, Nat. Commun. 2013, doi: 10.1038/ncomms2552. Representation of the design and construction of a SMT for CO 2 adsorption (top); structure of a metal-organic framework (PCN-88) with

  7. Slide 1

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    CO 2 Capture from Air Using Porous Polymer Networks Scientific Achievement One amine-grafted porous polymer network was shown to have high enough loading capacity and selectivity to adsorb CO 2 from simulated mixtures of air. W Lu, JP Sculley, D Yuan, R Krishna, HC Zhou, J. Phys Chem. C 28 January, 2013. DOI: 10.1021/jp311512q Data points correspond to evaluated loading capacity in simulated direct air capture process (using 400 ppm CO 2 concentration, in 79% N 2 , 21% O 2 balance gas).

  8. CNS 2008 Template

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    All Rights Reserved NURETH14-365 Flow Induced Vibration Forces on a Fuel Rod by LES CFD Analysis A. M. Elmahdi 1 , R. Lu 1 , M. E. Conner 1 , Z. Karoutas 1 , E. Baglietto 2 1 Westinghouse Electric Company LLC, Columbia, SC, USA 2 CD-adapco, Melville, NY, USA mandoua@westinghouse.com Abstract The purpose of the present study is to evaluate the feasibility of use of CFD Large Eddy Simulation (LES) modeling techniques in CD-adapco CFD code STAR-CCM+ to calculate the instantaneous stress tensor on

  9. Buffer layers and articles for electronic devices

    DOE Patents [OSTI]

    Paranthaman, Mariappan P.; Aytug, Tolga; Christen, David K.; Feenstra, Roeland; Goyal, Amit

    2004-07-20

    Materials for depositing buffer layers on biaxially textured and untextured metallic and metal oxide substrates for use in the manufacture of superconducting and other electronic articles comprise RMnO.sub.3, R.sub.1-x A.sub.x MnO.sub.3, and combinations thereof; wherein R includes an element selected from the group consisting of La, Ce, Pr, Nd, Pm, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, and Y, and A includes an element selected from the group consisting of Be, Mg, Ca, Sr, Ba, and Ra.

  10. Chemical Imaging and Quantification of Metallic Alloy Structures at

    Office of Scientific and Technical Information (OSTI)

    Atomic-Scale by Energy-Dispersive X-ray Spectroscopy. (Journal Article) | SciTech Connect Chemical Imaging and Quantification of Metallic Alloy Structures at Atomic-Scale by Energy-Dispersive X-ray Spectroscopy. Citation Details In-Document Search Title: Chemical Imaging and Quantification of Metallic Alloy Structures at Atomic-Scale by Energy-Dispersive X-ray Spectroscopy. Abstract not provided. Authors: Lu, Ping ; Lin Zhou Publication Date: 2013-11-01 OSTI Identifier: 1120831 Report

  11. Chemical Quantification of Atomic-scale EDS Maps. (Conference) | SciTech

    Office of Scientific and Technical Information (OSTI)

    Connect Conference: Chemical Quantification of Atomic-scale EDS Maps. Citation Details In-Document Search Title: Chemical Quantification of Atomic-scale EDS Maps. Abstract not provided. Authors: Lu, Ping ; Van Benthem, Mark Hilary Publication Date: 2013-10-01 OSTI Identifier: 1114582 Report Number(s): SAND2013-8738C 476973 DOE Contract Number: AC04-94AL85000 Resource Type: Conference Resource Relation: Conference: Proposed for presentation at the MS&T 13 held September 27, 2015 - October

  12. In-situ TEM study of Cu-Ag nanoparticle thermal interaction. (Conference) |

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Conference: In-situ TEM study of Cu-Ag nanoparticle thermal interaction. Citation Details In-Document Search Title: In-situ TEM study of Cu-Ag nanoparticle thermal interaction. Abstract not provided. Authors: Lu, Ping Publication Date: 2013-10-01 OSTI Identifier: 1113336 Report Number(s): SAND2013-8356C 476492 DOE Contract Number: AC04-94AL85000 Resource Type: Conference Resource Relation: Conference: Proposed for presentation at the Rio Grande symposium held October 7, 2013

  13. NUCLEAR DATA REVIEW

    SciTech Connect (OSTI)

    HOLDEN,N.E.

    2004-12-01

    Non-neutron nuclear data are periodically reviewed and evaluated. The recommended values are published in the Table of the Isotopes of the Chemical Rubber Company's Handbook of Chemistry and Physics. A 2004 review has begun to re-examine some data of interest to the International Union of Geological Sciences (IUGS) sub-commission on Geochronology dealing with radioactive decay constants and isotopic abundance ratios. Among the decay constants that are being evaluated are those of the following nuclides: {sup 40}K, {sup 87}Rb, {sup 138}La, {sup 147}Sm, {sup 176}Lu, {sup 174}Hf, {sup 187}Re, {sup 190}Pt, {sup 232}Th, {sup 235}U, {sup 238}U.

  14. Nonlinear optical crystal optimized for Ytterbium laser host wavelengths

    DOE Patents [OSTI]

    Ebbers, Christopher A.; Schaffers, Kathleen I.

    2008-05-27

    A material for harmonic generation has been made by substitutional changes to the crystal LaCa.sub.4 (BO.sub.3).sub.3 also known as LaCOB in the form Re1.sub.xRe2.sub.yRe3.sub.zCa.sub.4(B0.sub.3).sub.3O where Re1 and Re2, (rare earth ion 1 and rare earth ion 2) are selected from the group consisting of Sc, Yttrium, La, Ce, Pr, Nd, Sm, Eu, Gd, Th, Dy, Ho, Er, Tm, Yb, and Lu; Re3 is Lanthanum; and x+y+z=1.

  15. Nonlinear optical crystal optimized for Ytterbium laser host wavelengths

    DOE Patents [OSTI]

    Ebbers, Christopher A.; Schaffers, Kathleen I.

    2007-02-20

    A material for harmonic generation has been made by substitutional changes to the crystal LaCa.sub.4 (BO.sub.3).sub.3 also known as LaCOB in the form Re1.sub.xRe2.sub.yRe3.sub.zCa.sub.4(BO.sub.3).sub.3O where Re1 and Re2, (rare earth ion 1 and rare earth ion 2) are selected from the group consisting of Sc, Yttrium, La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, and Lu; Re3 is Lanthanum; and x+y+z=1.

  16. Nonlinear optical crystal optimized for ytterbium laser host wavelengths

    DOE Patents [OSTI]

    Ebbers, Christopher A.; Schaffers, Kathleen I.

    2007-08-21

    A material for harmonic generation has been made by substitutional changes to the crystal LaCa.sub.4(BO.sub.3).sub.3 also known as LaCOB in the form Re1.sub.xRe2.sub.yRe3.sub.zCa.sub.4(B0.sub.3).sub.3O where Re1 and Re2, (rare earth ion 1 and rare earth ion 2) are selected from the group consisting of Sc, Yttrium, La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, and Lu; Re3 is Lanthanum; and x+y+z=1.

  17. High Tc Superconductivity

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    by C. Kim (SSRL), D. H. Lu (Stanford), K. M. Shen (Stanford) and Z.-X. Shen (Stanford/SSRL) Extensive research efforts to study the novel electronic properties of high-Tc superconductors and their related materials by angle-resolved photoemission spectroscopy at a recently commissioned Beam Line 5-4 (led by Z.-X. Shen) continue to be successful, producing many important results. These results, which are highlighted by five articles recently published in Physical Review Letters and one in

  18. ARM - Publications: Science Team Meeting Documents

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Analysis of Humidity Halos Around Trade Wind Cumulus Clouds Lu, M.-L.(a), Wang, J.(b), Freedman, A.(c), Jonsson, H.H.(d), Flagan, R.C.(a), McClatchey, R.A.(c), and Seinfeld, J.H.(a), California Institute of Technology (a), Brookhaven National Laboratory (b), Aerodyne Research, Inc. (c), Naval Postgraduate School (d) Thirteenth Atmospheric Radiation Measurement (ARM) Science Team Meeting Regions of enhanced humidity in the vicinity of cumulus clouds, so-called cloud halos, reflect features of

  19. ARM - Publications: Science Team Meeting Documents

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Cloud Structure Anomalies Over the Tropical Pacific During the 1997/98 El Niño: A Test for Two Climate Models Lu, R.(a), Dong, B.(b), Potter, G.L.(c), and Cess, R.D.(d), Institute of Atmospheric Physics, Chinese Academy of Sciences (a), Hadley Centre for Climate Prediction and Research (b), Lawrence Livermore National Laboratory (c), State University of New York at Stony Brook (d) Fourteenth Atmospheric Radiation Measurement (ARM) Science Team Meeting We have compared two atmospheric general

  20. Crystalline rare-earth activated oxyorthosilicate phosphor

    DOE Patents [OSTI]

    McClellan, Kenneth J.; Cooke, D. Wayne

    2004-02-10

    Crystalline, transparent, rare-earth activated lutetium oxyorthosilicate phosphor. The phosphor consists essentially of lutetium yttrium oxyorthosilicate activated with a rare-earth metal dopant M and having the general formula Lu(.sub.2-x-z)Y.sub.x M.sub.z SiO.sub.5, wherein 0.00.ltoreq.x.ltoreq.1.95, wherein 0.001.ltoreq.z.ltoreq.0.02, and wherein M is selected from Sm, Tb, Tm, Eu, Yb, and Pr. The phosphor also consists essentially of lutetium gadolinium oxyorthosilicate activated with a rare-earth metal dopant M and having the general formula Lu(.sub.2-x-z)Gd.sub.x M.sub.z SiO.sub.5, wherein 0.00.ltoreq.x.ltoreq.1.95, wherein 0.001.ltoreq.z.ltoreq.0.02, and wherein M is selected from Sm, Tb, Tm, Eu, Yb, and Pr. The phosphor also consists essentially of gadolinium yttrium oxyorthosilicate activated with a rare-earth metal dopant M and having the general formula Gd(.sub.2-x-z)Y.sub.x M.sub.z SiO.sub.5, wherein 0.00.ltoreq.x.ltoreq.1.95, wherein 0.001.ltoreq.z.ltoreq.0.02, and wherein M is selected from Sm, Tb, Tm, Eu, Yb, and Pr. The phosphor may be optically coupled to a photodetector to provide a radiation detector.

  1. Electronic band structure and Kondo coupling in YbRh2Si2

    SciTech Connect (OSTI)

    Wigger, G.A.

    2010-04-15

    The electronic band structure of YbRh2Si2 is calculated in a relativistic framework including correlation corrections and magnetization of the Yb ion and compared to detailed angle-resolved photoemission spectra. The photoemission spectra for LuRh2Si2 are used as reference to identify electronic bands with no f symmetry. The calculated band structure manifests a 4f13 spin-polarized configuration leaving the unoccupied state at 1.4eV above the Fermi energy. At the band theory level, the 4f bands are located far below the Fermi level and the anisotropic Coulomb interaction within the 4f shell spreads the multilevel into broader 4f complexes below -2.5eV . The photoemission spectra obtained on YbRh2Si2 show a clear f -multilevel splitting into j=7/2 and 5/2 excitations. The interaction of the 4f7/2 levels close to the Fermi energy with two conduction bands shows visible hybridization gaps of 45 and 80meV, respectively. We discuss the origin of these excitations and provide an analysis according to Anderson's single-impurity model with parameters suggested by the band-structure calculation and the photoemission spectra. Both experiment and theory indicate nearly identical Fermi surfaces for LuRh2Si2 and YbRh2Si2 . The valency of Yb in YbRh2Si2 is estimated to be close to +3.

  2. Lattice dynamics in the Kondo insulator YbB{sub 12}

    SciTech Connect (OSTI)

    Nemkovski, K.S. . E-mail: kirnem@isssph.kiae.ru; Alekseev, P.A.; Mignot, J.-M.; Iga, F.; Takabatake, T.; Shitsevalova, N.Yu.; Paderno, Yu.B.; Lazukov, V.N.; Nefeodova, E.V.; Tiden, N.N.; Sadikov, I.P.

    2006-09-15

    The phonon dispersion in the Kondo-insulator YbB{sub 12} and its structure analogue LuB{sub 12} has been studied in a wide energy range (up to 55 meV) by means of inelastic neutron scattering. The specific shape of phonon dispersion curves for low-frequency lattice vibrations could be described on the basis of a strong hierarchy suggested for the interactions between boron and rare-earth (RE) atoms: B-B>>B-RE>>RE-RE. - Graphical abstract: Energy dispersion of phonons in the Kondo insulator YbB{sub 12} (open symbols) and its structure analogue LuB{sub 12} (closed symbols). Circles: longitudinal branches; triangles: transverse branches. Lines represent the result of the model calculation based on assumption of a strong hierarchy of the interactions between boron and rare-earth (RE) atoms: B-B>>B-RE>>RE-RE. Irreducible representations of phonon branches are given in the Bouckaert-Smoluchowski-Wigner notation.

  3. Transport properties of non-equilibrium metallic alloys

    SciTech Connect (OSTI)

    Wong, K.M.M.

    1987-01-01

    A systematic and quantitative study of upper critical fields, H/sub C2/(T), in disordered bulk alloys with increasing atomic numbers was carried out. They include alloys of Ti-Mo, Ti-Pd, Zr-Mo, Zr-Pd, Zr-Rh, Hf-Mo, and Hf-Ta. A least-squares fitting routine was performed on H/sub C2/(T) with the Werthamer, Helfand, Hohenberg, and Maki theory of dirty superconductors. The localization effects on H/sub C2/(T) were examined by comparing the electronic density of states obtained from specific heat measurements (absence of field-induced delocalization effects) and those derived from fitting critical field data. Measurements on bulk Zr-Ni, Zr-Rh and Hf-Mo alloys gave the first direct confirmation of theoretical predictions on H/sub C2/(T) for the weakly localized 3D systems. To further test the localization theories, magnetoresistance was measured on amorphous Lu-Pd and Lu-Ni alloys. The author also investigated a wide compositional range of U-Fe, U-Co, and U-Ni metallic glasses which contain f-electrons. These uranium glasses exhibit unusual resistivity and superconducting behaviors and have very large upper-critical-field gradients.

  4. Gas-Phase Reactions of Doubly Charged Lanthanide Cations with Alkanes and Alkenes. Trends in Metal(2+) Reactivity

    SciTech Connect (OSTI)

    Gibson, John K.; Marcalo, Joaquim; Santos, Marta; Pires de Matos, Antonio; Haire, Richard G.

    2008-12-08

    The gas-phase reactivity of doubly-charged lanthanide cations, Ln2+ (Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu), with alkanes (methane, ethane, propane, n-butane) and alkenes (ethene, propene, 1-butene) was studied by Fourier transform ion cyclotron resonance mass spectrometry. The reaction products consisted of different combinations of doubly-charged organometallic ions?adducts or species formed via metal-ion-induced hydrogen, dihydrogen, alkyl, or alkane eliminations from the hydrocarbons?and singly-charged ions that resulted from electron, hydride, or methide transfers from the hydrocarbons to the metal ions. The only lanthanide cations capable of activating the hydrocarbons to form doubly-charged organometallic ions were La2+, Ce2+, Gd2+, and Tb2+, which have ground-state or low-lying d1 electronic configurations. Lu2+, with an accessible d1 electronic configuration but a rather high electron affinity, reacted only through transfer channels. The remaining Ln2+ reacted via transfer channels or adduct formation. The different accessibilities of d1 electronic configurations and the range of electron affinities of the Ln2+ cations allowed for a detailed analysis of the trends for metal(2+) reactivity and the conditions for occurrence of bond activation, adduct formation, and electron, hydride, and methide transfers.

  5. Beam-spin Asymmetries from Semi-inclusive Pion Electroproduction

    SciTech Connect (OSTI)

    Gohn, Wesley P.; Avakian, Harut A.; Joo, Kyungseon; Ungaro, Maurizio

    2014-04-01

    We have measured the moment A{sup sin{phi}}{sub LU} corresponding to the polarized electron beam-spin asymmetry in SIDIS. A{sup sin{phi}}{sub LU} is a twist-3 quantity providing information about quark-gluon correlations. Data were taken with the CLAS Spectrometer at Jefferson Lab using a 5.498 GeV longitudinally polarized electron beam and an unpolarized liquid hydrogen target. All three pion channels (pi{sup +}, pi{sup 0} and pi{sup -}) were measured simultaneously over a large range of kinematics within the virtuality range Q{sup 2} ~ 1.0-4.5 GeV{sup 2}. The observable was measured with good statistical precision over a large range of z, P{sub T}, x{sub B}, and Q{sup 2}, which permits comparison with several reaction models. The discussed measurements provide an upgrade in statistics over previous measurements, and serve as the first evidence for the negative sign of the {pi}{sup -} sin{phi} Moment.

  6. Lutetium oxide-based transparent ceramic scintillators

    DOE Patents [OSTI]

    Seeley, Zachary; Cherepy, Nerine; Kuntz, Joshua; Payne, Stephen A.

    2016-01-19

    In one embodiment, a transparent ceramic of sintered nanoparticles includes gadolinium lutetium oxide doped with europium having a chemical composition (Lu.sub.1-xGd.sub.x).sub.2-YEu.sub.YO.sub.3, where X is any value within a range from about 0.05 to about 0.45 and Y is any value within a range from about 0.01 to about 0.2, and where the transparent ceramic exhibits a transparency characterized by a scatter coefficient of less than about 10%/cm. In another embodiment, a transparent ceramic scintillator of sintered nanoparticles, includes a body of sintered nanoparticles including gadolinium lutetium oxide doped with a rare earth activator (RE) having a chemical composition (Lu.sub.1-xGd.sub.x).sub.2-YRE.sub.YO.sub.3, where RE is selected from the group consisting of: Sm, Eu, Tb, and Dy, where the transparent ceramic exhibits a transparency characterized by a scatter coefficient of less than about 10%/cm.

  7. Dual parametrization of the proton generalized parton distribution functions H and E, and description of the deeply virtual Compton scattering cross sections and asymmetries

    SciTech Connect (OSTI)

    Guzey, V.; Teckentrup, T. [Institut fuer Theoretische Physik II, Ruhr-Universitaet Bochum, D-44780 Bochum (Germany)

    2006-09-01

    We develop the minimal model of a new leading order parametrization of generalized parton distributions (GPDs) introduced by Polyakov and Shuvaev. The model for GPDs H and E is formulated in terms of the forward quark distributions, the Gegenbauer moments of the D-term, and the forward limit of the GPD E. The model is designed primarily for small and medium-size values of x{sub B}, x{sub B}{<=}0.2. We examine two different models of the t dependence of the GPDs: the factorized exponential model and the nonfactorized Regge-motivated model. Using our model, we successfully described the deeply virtual Compton scattering (DVCS) cross section measured by H1 and ZEUS, the moments of the beam-spin A{sub LU}{sup sin{phi}}, the beam-charge A{sub C}{sup cos{phi}}, and the transversely polarized target A{sub UT}{sup sin{phi}}{sup cos{phi}} DVCS asymmetries measured by HERMES and A{sub LU}{sup sin{phi}} measured by CLAS. The data on A{sub C}{sup cos{phi}} prefer the Regge-motivated model of the t dependence of the GPDs. The data on A{sub UT}{sup sin{phi}}{sup cos{phi}} indicate that the u and d quarks carry only a small fraction of the proton total angular momentum.

  8. Transmission electron microscopic study of pyrochlore to defect-fluorite transition in rare-earth pyrohafnates

    SciTech Connect (OSTI)

    Karthik, Chinnathambi; Center for Advanced Energy Studies, 995 University Blvd, Idaho Falls, ID 83415 ; Anderson, Thomas J.; Gout, Delphine; Ubic, Rick; Center for Advanced Energy Studies, 995 University Blvd, Idaho Falls, ID 83415

    2012-10-15

    A structural transition in rare earth pyrohafnates, Ln{sub 2}Hf{sub 2}O{sub 7} (Ln=Y, La, Pr, Nd, Tb, Dy, Yb and Lu), has been identified. Neutron diffraction showed that the structure transforms from well-ordered pyrochloric to fully fluoritic through the lanthanide series from La to Lu with a corresponding increase in the position parameter x of the 48f (Fd3{sup Macron }m) oxygen site from 0.330 to 0.375. As evidenced by the selected area electron diffraction, La{sub 2}Hf{sub 2}O{sub 7}, Pr{sub 2}Hf{sub 2}O{sub 7} and Nd{sub 2}Hf{sub 2}O{sub 7} exhibited a well-ordered pyrocholoric structure with the presence of intense superlattice spots, which became weak and diffuse (in Dy{sub 2}Hf{sub 2}O{sub 7} and Tb{sub 2}Hf{sub 2}O{sub 7}) before disappearing completely as the series progressed towards the Lu end. High resolution electron microscopic studies showed the breakdown of the pyrochlore ordering in the form of antiphase domains resulting in diffused smoke-like superlattice spots in the case of Dy{sub 2}Hf{sub 2}O{sub 7} and Tb{sub 2}Hf{sub 2}O{sub 7}. - Graphical abstract: Transmission electron microscopic studies showed the ordered pyrochlore to defect fluorite transition in rare-earth pyrohafnates to occur via the formation of anti-phase domains to start with. Highlights: Black-Right-Pointing-Pointer Pyrochlore to fluorite structural transition in rare earth pyrohafnates. Black-Right-Pointing-Pointer La{sub 2}Hf{sub 2}O{sub 7}, Pr{sub 2}Hf{sub 2}O{sub 7} and Nd{sub 2}Hf{sub 2}O{sub 7} showed well ordered pyrochlore structure. Black-Right-Pointing-Pointer Short range ordering in Dy{sub 2}Hf{sub 2}O{sub 7} and Tb{sub 2}Hf{sub 2}O{sub 7}. Black-Right-Pointing-Pointer Break down of pyrochlore ordering due to antiphase boundaries. Black-Right-Pointing-Pointer Rest of the series showed fluoritic structure.

  9. SU-D-BRE-01: A Realistic Breathing Phantom of the Thorax for Testing New Motion Mitigation Techniques with Scanning Proton Therapy

    SciTech Connect (OSTI)

    Perrin, R; Peroni, M; Bernatowicz, K; Zakova, M; Knopf, A; Safai, S; Parkel, T

    2014-06-01

    Purpose: A prototype breathing phantom (named LuCa) has been developed which simulates the anatomy and motion of a patient thorax.In this work, we describe the results of the first commissioning tests with LuCa. Methods: The phantom provides a close representation of the human thorax. The lungs,contained within a tissue-equivalent ribcage and skin,are made from a polymer foam,which is inflated and deflated using a custommade ventilator. A tumor is simulated using a wooden ball with cutplanes for placing GafChromic films. The ventilator,controlled with Labview software,simulates a full range of breathing motion types.Commissioning tests were performed to assess its performance using imaging (CT and radiographic) and film dosimetry as follows:i)maximum Tumor excursion at acceptable pressure ranges, ii)tumor Motion repeatability between breathing periods,iii)reproducibility between measurement days,iv)tumor-to-surface motion correlation and v)reproducibility of film positioning in phantom. Results: The phantom can generate repeatable motion patterns with sin{sup 4},sin,breath-hold (tumor amplitude repeatability <0.5mm over 10min),aswell as patient-specific motion types. Maximum excursions of the tumor are 20mm and 14mm for the large and small tumor inserts respectively. Amplitude reproducibility (Coefficient of Variation) averaged at 16% for the workable pressure range over 2 months. Good correlation between tumor and surface motion was found with R{sup 2}=0.92. Reproducibility of film positioning within the thorax was within 0.9mm, and maximum 3 error from the coronal plane. Film measurements revealed that the film repositioning error yields relative errors in the mean dose over the planned target volume (PTV) of up to 2.5% and 4.5% for films at the center and on the edge of the PTV respectively. Conclusion: Commissioning tests have shown that the LuCa phantom can produce tumor motion with excellent repeatability. However,a poorer performance in reproducibility of

  10. Slide 1

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Jonathan A. Dowell DOE-RL Assistant Manager for River and Plateau S a fe a n d E ff e c ti v e C le a n u p th a t P ro te c ts th e C o lu m b ia R iv e r  Re du ce s the Ac tiv e Sit e Fo otp rin t of Cle an up to 75 Sq ua re Mi les (58 6 to 75 )  Sig nif ica ntl y Re du ce s Lo ng -Te rm Mo rtg ag e Co sts  At Co mp let ion , Sh ifts Em ph as is an d Re so urc es to Fu ll Sc ale Cle an up of the Ce ntr al Pla tea u (75 sq ua re mi les )  Re du ce s Co sts by "R igh t Siz ing

  11. Soil Series

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    0 Soil Series and Phase D Bae D Da rn Fa D FuB D LuB ~ 09 _ Pk _ TrB _ TuE DUo _ vee D VeD o o * '='1 ~*.1* **..oC'" ~) OJ rI.:) o.Q 600 1200 Soils n O~:-* ilL 10., 1800 O~ c? ~ 0 ~ O~ Community _ Loblolly Pine D Mixed Pine/Hardwood o Upland Hardwood D Bottomland Hardwood _ Water a Bottomland HardwoodlPine o Monitoringwells .._.' *** TES Plants (1) :l!.-.~I ... 0 TES Plants (2) :='.Y-r::.: ~ Streams ){" ~ Rails . :1'\;:'/ Utility ROW ""If WasteSItes III NPDES outfalls CZI

  12. Multigrid waveform relaxation on spatial finite element meshes

    SciTech Connect (OSTI)

    Janssen, J.; Vandewalle, S.

    1994-12-31

    The authors shall discuss the numerical solution of a parabolic partial differential equation {partial_derivative}u/{partial_derivative}t(x,t) = Lu(x,t) + f(x,t), x{element_of}{Omega}, t>0, (1) supplied with a boundary condition and given initial values. The spatial finite element discretization of (1) on a discrete grid {Omega}{sub h} leads to an initial value problem of the form B{dot u} + Au = f, u(0) = u{sub o}, t > 0, (2) with B a non-singular matrix. The waveform relaxation method is a method for solving ordinary differential equations. It differs from most standard iterative techniques in that it is a continuous-time method, iterating with functions in time, and thereby well-suited for parallel computation.

  13. L/M sub-shell measurements on INDUS-2 beam line BL16

    SciTech Connect (OSTI)

    Singla, Raj Mittal

    2015-06-24

    Beamline BL-16 on INDUS-2 at RRCAT, Indore has been employed for M sub shell measurements on Pt, Au, Hg, Pb, Th and U at 8 and 10 keV photon energies to determine M sub-shell X-ray emission cross-sections and for L sub-shell measurements on Dy, Ho, Er, Lu, Ta, W, Pt, Au, Hg, Pb and Bi with selective creation of electron vacancies in individual sub-shells to derive L Coster-Kronig (CK) yield values. The cross sections have been measured for the first time. The determined L sub-shell CK yields were used to explore some details of CK transitions.

  14. New Opportunity for Improved Nuclear Forensics, Radiochemical Diagnostics, and Nuclear Astrophysics: Need for a Total-Cross-Section Apparatus at the LANSCE

    SciTech Connect (OSTI)

    Koehler, Paul E.; Hayes-Sterbenz, Anna C.; Bredeweg, Todd Allen; Couture, Aaron J.; Engle, Jonathan; Keksis, August L.; Nortier, Francois M.; Ullmann, John L.

    2014-03-12

    Total-cross-section measurements are feasible on a much wider range of radioactive samples than (n,?) cross-section measurements, and information extracted from the former can be used to set tight constraints on the latter. There are many (n,?) cross sections of great interest to radiochemical diagnostics, nuclear forensics, and nuclear astrophysics which are beyond the reach of current direct measurement, that could be obtained in this way. Our simulations indicate that measurements can be made at the Manuel Lujan Jr. Neutron Scattering Center at the Los Alamos Neutron Science Center for samples as small as 10?g. There are at least 40 high-interest nuclides which should be measurable, including 88Y,167,168,170,171Tm, 173,174Lu, and189,190,192Ir.

  15. Community

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    iLoblolly P ine , Mixed Pine/Hardwood Upland Hardwood Bottomland Hardwood . Bottomland Hardwood/Pine Other-disturbed area N ATTA Range o Mon~oring Wells ~ Streams SRS Bays Pipes o Openwells ~ Roads * TES Plants (1) [2J Other Set~Asides fIE] HydrIC Soils 1100 Soils Soil Series and Phase DAnB DBaB DBaC DEnA DFuB .HoA DLuB _LuC _OcA _OrB _Pk C;:;]Rm _TrB DTrC DTrD _TuE I!!!iTuF DVaD DWaB .Wm o 2200 Meters N A Figure 12-2. Plallt C011l1l/1I1lties alld soils associated with the Oak-Hickory Forest #2

  16. Scrap treatment method

    SciTech Connect (OSTI)

    Lyman, J.; Palmer, G.

    1990-10-24

    The method of the invention is useful in treating a wide variety of rare earth-transition metal alloy scrap wherein the scrap comprises (a) one or more transition metals such as Fe, Co and Ni, (b) one or more rare earth such as Nd, Dy, Tb, Pr, Sm, Ho, La, Ce, Eu, Gd, Er, Tm, Yb, Lu, Y, and Sc and (c) other optional alloyants such as boron, Zr, Nb, Ga, Al and others. In treating rare earth-transition metal alloy scrap including two or more rare earth metals (e.g., Tb-Dy-Fe), the method of the invention is effective to recover mixed rare earth salts which can be treated further for use in the thermite or other metallothermic reduction processes.

  17. Computational discovery of lanthanide doped and Co-doped Y{sub 3}Al{sub 5}O{sub 12} for optoelectronic applications

    SciTech Connect (OSTI)

    Choudhary, Kamal; Chernatynskiy, Aleksandr; Phillpot, Simon R.; Sinnott, Susan B.; Mathew, Kiran; Bucholz, Eric W.; Hennig, Richard G.

    2015-09-14

    We systematically elucidate the optoelectronic properties of rare-earth doped and Ce co-doped yttrium aluminum garnet (YAG) using hybrid exchange-correlation functional based density functional theory. The predicted optical transitions agree with the experimental observations for single doped Ce:YAG, Pr:YAG, and co-doped Er,Ce:YAG. We find that co-doping of Ce-doped YAG with any lanthanide except Eu and Lu lowers the transition energies; we attribute this behavior to the lanthanide-induced change in bonding environment of the dopant atoms. Furthermore, we find infrared transitions only in case of the Er, Tb, and Tm co-doped Ce:YAG and suggest Tm,Ce:YAG and Tb,Ce:YAG as possible functional materials for efficient spectral up-conversion devices.

  18. Enthalpies of formation of rare earth orthovanadates, REVO{sub 4}

    SciTech Connect (OSTI)

    Dorogova, M.; Navrotsky, A. Boatner, L.A.

    2007-03-15

    Rare earth orthovanadates, REVO{sub 4}, having the zircon structure, form a series of materials interesting for magnetic, optical, sensor, and electronic applications. Enthalpies of formation of REVO{sub 4} compounds (RE=Sc, Y, Ce-Nd, Sm-Tm, Lu) were determined by oxide melt solution calorimetry in lead borate (2PbO.2B{sub 2}O{sub 3}) solvent at 1075 K. The enthalpies of formation from oxide components become more negative with increasing RE ionic radius. This trend is similar to that obtained for the rare earth phosphates. - Graphical abstract: Comparison of enthalpies of formation from oxides at 298 K for REVO{sub 4} [this work] and REPO{sub 4} compounds [S.V. Ushakov, K.B. Helean, A. Navrotsky, L.A. Boatner, J. Mater. Res. 16(9) (2001) 2623] vs. RE{sup 3+} ionic radius. Filled symbols indicate scheelite structure, open symbols zircon structure.

  19. Theory of Fine-scale Zonal Flow Generation From Trapped Electron Mode Turbulence

    SciTech Connect (OSTI)

    Lu Wang and T.S. Hahm

    2009-06-11

    Most existing zonal flow generation theory has been developed with a usual assumption of qr?? << 1 (qr is the radial wave number of zonal flow, and ?? is the ion poloidal gyrora- dius). However, recent nonlinear gyrokinetic simulations of trapped electron mode (TEM) turbulence exhibit a relatively short radial scale of the zonal flows with qr?? ~ 1 [Z. Lin et al., IAEA-CN/TH/P2-8 (2006); D. Ernst et al., Phys. Plasmas 16, 055906 (2009)]. This work reports an extension of zonal flow growth calculation to this short wavelength regime via the wave kinetics approach. A generalized expression for the polarization shielding for arbitrary radial wavelength [Lu Wang and T.S. Hahm, to appear in Phys. Plasmas (2009)] which extends the Rosenbluth-Hinton formula in the long wavelength limit is applied.

  20. A=12C (1985AJ01)

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    5AJ01) (See Energy Level Diagrams for 12C) GENERAL: See also (1980AJ01) and Table 12.6 [Table of Energy Levels] (in PDF or PS). Shell model: (1977ME05, 1978RA1B, 1979HA59, 1979IN05, 1980CA12, 1980GI05, 1980HA35, 1980OH07, 1981AM08, 1981BO1Y, 1981DE2G, 1981LU1B, 1981RA06, 1982AR03, 1982BA52, 1982BR08, 1983VA31, 1984DE04, 1984VA06). Deformed models: (1979UE03, 1980BA1T, 1980BA44, 1980CA12, 1980FU1H, 1981DE2G, 1981RA06, 1981SE03, 1982AS03, 1982BR08, 1982KU1K, 1982SA1U, 1983LO04, 1983SA12,

  1. A=5He (1984AJ01)

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    84AJ01) (See Energy Level Diagrams for 5He) GENERAL: See also (1979AJ01) and Table 5.1 [Table of Energy Levels] (in PDF or PS) here. Model calculations:(1978RE1A, 1979JA31, 1979KA06, 1979LU1A, 1979MA1J, 1980HA1M, 1981BE10, 1981KR1J, 1982FI13). Special states (The first T = 5/2 state of 5He is predicted to lie at Ex ~ 40 MeV (1981BE25; theor.).): (1979JA31, 1981BE10, 1981KU1H, 1982EM1A, 1982FI13, 1982FR1D). Complex reactions involving 5He:(1979BR02, 1979RU1B). Reactions involving pions:(1978FI1D,

  2. Scalable Out-of-Core Solvers on Xeon Phi Cluster

    SciTech Connect (OSTI)

    D'Azevedo, Ed F; Chan, Ki Shing; Su, Shiquan; Wong, Kwai

    2015-01-01

    This paper documents the implementation of a distributive out-of-core (OOC) solver for performing LU and Cholesky factorizations of a large dense matrix on clusters of many-core programmable co-processors. The out-of- core algorithm combines both the left-looking and right-looking schemes aimed to minimize the movement of data between the CPU host and the co-processor, optimizing data locality as well as computing throughput. The OOC solver is built to align with the format of the ScaLAPACK software library, making it readily portable to any existing codes using ScaLAPACK. A runtime analysis conducted on Beacon (an Intel Xeon plus Intel Xeon Phi cluster which composed of 48 nodes of multi-core CPU and MIC) at the Na- tional Institute for Computational Sciences is presented. Comparison of the performance on the Intel Xeon Phi and GPU clusters are also provided.

  3. Vibrational Feshbach resonances in near threshold HOCO{sup -} photodetachment: a theoretical study

    SciTech Connect (OSTI)

    Miyabe, Shungo; Haxton, Dan; Lawler, Keith; Orel, Ann; McCurdy, Bill; Rescigno, Tom

    2011-03-02

    The results of a theoretical study of HOCO{sup ?} photodetachment are presented, with a view toward understanding the origin of two peaks observed by Lu and Continetti (Phys. Rev. Lett. 99, 113005 (2007)) in the photoelectron kinetic energy spectrum very close to threshold. It is shown that the peaks can be attributed to vibrational Feshbach resonances of dipole-bound trans-HOCO{sup ?}, and not s- and p-wave shape resonances as previously assumed. Fixed-nuclei variational electron-HOCO scattering calculations are used to compute photodetachment cross sections and laboratory-frame photoelectron angular distributions. The calculations show a broad A??(#25;{pi}*)-shape resonance several eV above threshold.

  4. Ternary oxide nanostructures and methods of making same

    DOE Patents [OSTI]

    Wong, Stanislaus S.; Park, Tae-Jin

    2009-09-08

    A single crystalline ternary nanostructure having the formula A.sub.xB.sub.yO.sub.z, wherein x ranges from 0.25 to 24, and y ranges from 1.5 to 40, and wherein A and B are independently selected from the group consisting of Ag, Al, As, Au, B, Ba, Br, Ca, Cd, Ce, Cl, Cm, Co, Cr, Cs, Cu, Dy, Er, Eu, F, Fe, Ga, Gd, Ge, Hf, Ho, I, In, Ir, K, La, Li, Lu, Mg, Mn, Mo, Na, Nb, Nd, Ni, Os, P, Pb, Pd, Pr, Pt, Rb, Re, Rh, Ru, S, Sb, Sc, Se, Si, Sm, Sn, Sr, Ta, Tb, Tc, Te, Ti, Tl, Tm, U, V, W, Y, Yb, and Zn, wherein the nanostructure is at least 95% free of defects and/or dislocations.

  5. Electro-optic modulator material

    DOE Patents [OSTI]

    Adams, John J.; Ebbers, Chris A.

    2005-02-22

    An electro-optic device for use with a laser beam. A crystal has a first face and a second face. Means are provided for applying a voltage across the crystal to obtain a net phase retardation on the polarization of the laser beam when the laser beam is passed through the crystal. In one embodiment the crystal is composed of a compound having the chemical formula ReAe40(BO3)3 where: RE consists of one or more of the following elements La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu and two other elements Y and Sc; and where Ae is from the list of Ca, Sr, or Ba.

  6. Investigation of Gd3N@C2n (40 n 44) family by Raman and inelastic electron tunneling spectroscopy

    SciTech Connect (OSTI)

    Burke, Brian; Chan, Jack; Williams, Keith A; Ge, Jiechao; Shu, Chunying; Fu, Wujun; Dorn, Harry C; Kushmerick, James G; Puretzky, Alexander A; Geohegan, David B

    2010-01-01

    The structure and vibrational spectrum of Gd3N@C80 is studied through Raman and inelastic electron tunneling spectroscopy as well as density-functional theory and universal force eld calculations. Hindered rotations, shown by both theory and experiment, indicate the formation of a Gd3N-C80 bond which reduces the ideal icosahedral symmetry of the C80 cage. The vibrational modes involving the movement of the encapsulated species are a ngerprint of the interaction between the fullerene cage and the core complex. We present Raman data for the Gd3N@C2n 40 n 44 family as well as Y3N@C80, Lu3N@C80, and Y3N@C88 for comparison. Conductance measurements have been performed on Gd3N@C80 and reveal a Kondo effect similar to that observed in C60.

  7. Pliris Solver Package

    Energy Science and Technology Software Center (OSTI)

    2004-03-01

    PLIRIS is an object-oriented solver built on top of a previous matrix solver used in a number of application codes. Puns solves a linear system directly via LU factorization with partial pivoting. The user provides the linear system in terms of Epetra Objects including a matrix and right-hand-sides. The user can then factor the matrix and perform the forward and back solve at a later time or solve for multiple right-hand-sides at once. This packagemore » is used when dense matrices are obtained in the problem formulation. These dense matrices occur whenever boundary element techniques are chosen for the solution procedure. This has been used in electromagnetics for both static and frequency domain problems.« less

  8. L3:THM.CLS.P7.07

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    P7.07 Transient Evoluation of Bubbles in a Channel Jiacai Lu and Gretar Tryggvason University of Notre Dame November 30, 2013 CASL-8-2014-0040-000 CASL-U-2014-0040-000 Transient E volution o f B ubbles i n a Channel L3:THM.CLS.P7.07 m ilestone r eport Jiacai L u 1 Gretar T ryggvason 2 1 Worcester P olytechnic I nstitute 2 University o f N otre D ame November 3 0, 2 013 ( Ver. 1 .1) CASL-U-2014-0040-000 L3:THM.CLS.P7.07 r eport 2 Abstract: Transient motion of bubbles is studied using direct

  9. Frequency mixing crystal

    DOE Patents [OSTI]

    Ebbers, Christopher A.; Davis, Laura E.; Webb, Mark

    1992-01-01

    In a laser system for converting infrared laser light waves to visible light comprising a source of infrared laser light waves and means of harmoic generation associated therewith for production of light waves at integral multiples of the frequency of the original wave, the improvement of said means of harmonic generation comprising a crystal having the chemical formula X.sub.2 Y(NO.sub.3).sub.5 .multidot.2 nZ.sub.2 o wherein X is selected from the group consisting of Li, Na, K, Rb, Cs, and Tl; Y is selected from the group consisting of Sc, Y, La, Ce, Nd, Pr, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Al, Ga, and In; Z is selected from the group consisting of H and D; and n ranges from 0 to 4.

  10. Aligned mesoporous architectures and devices.

    SciTech Connect (OSTI)

    Brinker, C. Jeffrey; Lu, Yunfeng

    2011-03-01

    This is the final report for the Presidential Early Career Award for Science and Engineering - PECASE (LDRD projects 93369 and 118841) awarded to Professor Yunfeng Lu (Tulane University and University of California-Los Angeles). During the last decade, mesoporous materials with tunable periodic pores have been synthesized using surfactant liquid crystalline as templates, opening a new avenue for a wide spectrum of applications. However, the applications are somewhat limited by the unfavorabe pore orientation of these materials. Although substantial effort has been devoted to align the pore channels, fabrication of mesoporous materials with perpendicular pore channels remains challenging. This project focused on fabrication of mesoporous materials with perpendicularly aligned pore channels. We demonstrated structures for use in water purification, separation, sensors, templated synthesis, microelectronics, optics, controlled release, and highly selective catalysts.

  11. LANL: AOT & LANSCE The Pulse November 2009

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    9 Los Alamos National Laboratory * Est. 1943 The Pulse-Newsletter of the Los Alamos Neutron Science Center and Accelerator Operations and Technology Division I N S I D E 2 Vogel receiVes lANsce Director's excelleNce AwArD 2 AccelerAtor struc- ture DeVelopmeNt AND thiN coAtiNg oN Niobium sAmples 3 NANogrAiNs DemoN- strAte extrAorDiNAry thermAl stAbility 3 competitiVe ADsorp- tioN of luNg surfAc- tANt AND AlbumiN 4 heADs up! For more than 15 years, Yusheng Zhao has been on a scientifc journey

  12. Decommissioning and PIE of the MEGAPIE spallation target

    SciTech Connect (OSTI)

    Latge, C.; Henry, J.; Wohlmuther, M.; Dai, Y.; Gavillet, D.; Hammer, B.; Heinitz, S.; Neuhausen, J.; Schumann, D.; Thomsen, K.; Tuerler, A.; Wagner, W.; Gessi, A.; Guertin, A.; Konstantinovic, M.; Lindau, R.; Maloy, S.; Saito, S.

    2013-07-01

    A key experiment in the Accelerated Driven Systems roadmap, the MEGAwatt PIlot Experiment (MEGAPIE) (1 MW) was initiated in 1999 in order to design and build a liquid lead-bismuth spallation target, then to operate it into the Swiss spallation neutron facility SINQ at Paul Scherrer Institute. The target has been designed, manufactured, and tested during integral tests, before irradiation carried out end of 2006. During irradiation, neutron and thermo hydraulic measurements were performed allowing deep interpretation of the experiment and validation of the models used during design phase. The decommissioning, Post Irradiation Examinations and waste management phases were defined properly. The phases dedicated to cutting, sampling, cleaning, waste management, samples preparation and shipping to various laboratories were performed by PSI teams: all these phases constitute a huge work, which allows now to perform post-irradiation examination (PIE) of structural material, irradiated in relevant conditions. Preliminary results are presented in the paper, they concern chemical characterization. The following radio-nuclides have been identified by γ-spectrometry: {sup 60}Co, {sup 101}Rh, {sup 102}Rh, {sup 108m}Ag, {sup 110m}Ag, {sup 133}Ba, {sup 172}Hf/Lu, {sup 173}Lu, {sup 194}Hg/Au, {sup 195}Au, {sup 207}Bi. For some of these nuclides the activities can be easily evaluated from γ-spectrometry results ({sup 207}Bi, {sup 194}Hg/Au), while other nuclides can only be determined after chemical separations ({sup 108m}Ag, {sup 110m}Ag, {sup 195}Au, {sup 129}I, {sup 36}Cl and α-emitting {sup 208-210}Po). The concentration of {sup 129}I is lower than expected. The chemical analysis already performed on spallation and corrosion products in the lead-bismuth eutectic (LBE) are very relevant for further applications of LBE as a spallation media and more generally as a coolant.

  13. Band-gap and band-edge engineering of multicomponent garnet scintillators from first principles

    DOE PAGES-Beta [OSTI]

    Yadav, Satyesh K.; Uberuaga, Blas P.; Nikl, Martin; Jiang, Chao; Stanek, Christopher R.

    2015-11-24

    Complex doping schemes in R3Al5O12 (where R is the rare-earth element) garnet compounds have recently led to pronounced improvements in scintillator performance. Specifically, by admixing lutetium and yttrium aluminate garnets with gallium and gadolinium, the band gap is altered in a manner that facilitates the removal of deleterious electron trapping associated with cation antisite defects. Here, we expand upon this initial work to systematically investigate the effect of substitutional admixing on the energy levels of band edges. Density-functional theory and hybrid density-functional theory (HDFT) are used to survey potential admixing candidates that modify either the conduction-band minimum (CBM) or valence-bandmore » maximum (VBM). We consider two sets of compositions based on Lu3B5O12 where B is Al, Ga, In, As, and Sb, and R3Al5O12, where R is Lu, Gd, Dy, and Er. We find that admixing with various R cations does not appreciably affect the band gap or band edges. In contrast, substituting Al with cations of dissimilar ionic radii has a profound impact on the band structure. We further show that certain dopants can be used to selectively modify only the CBM or the VBM. Specifically, Ga and In decrease the band gap by lowering the CBM, while As and Sb decrease the band gap by raising the VBM, the relative change in band gap is quantitatively validated by HDFT. These results demonstrate a powerful approach to quickly screen the impact of dopants on the electronic structure of scintillator compounds, identifying those dopants which alter the band edges in very specific ways to eliminate both electron and hole traps responsible for performance limitations. Furthermore, this approach should be broadly applicable for the optimization of electronic and optical performance for a wide range of compounds by tuning the VBM and CBM.« less

  14. Electronic Band Structure And Kondo Coupling in YbRh(2)Si(2)

    SciTech Connect (OSTI)

    Wigger, G.A.; Baumberger, F.; Shen, Z.X.; Yin, Z.P.; Pickett, W.E.; Maquilon, S.; Fisk, Z.; /UC, Davis

    2007-09-26

    The electronic band structure of YbRh{sub 2}Si{sub 2} is calculated in a relativistic framework including correlation corrections and magnetization of the Yb ion and compared to detailed angle-resolved photoemission spectra. The photoemission spectra for LuRh{sub 2}Si{sub 2} are used as reference to identify electronic bands with no f symmetry. The calculated band structure manifests a 4f{sup 13} spin-polarized configuration leaving the unoccupied state at 1.4 eV above the Fermi energy. At the band theory level, the 4f bands are located far below the Fermi level and the anisotropic Coulomb interaction within the 4f shell spreads the multilevel into broader 4f complexes below -2.5 eV. The photoemission spectra obtained on YbRh2Si2 show a clear f-multilevel splitting into j=7/2 and 5/2 excitations. The interaction of the 4f{sub 7/2} levels close to the Fermi energy with two conduction bands shows visible hybridization gaps of 45 and 80 meV, respectively. We discuss the origin of these excitations and provide an analysis according to Anderson's single-impurity model with parameters suggested by the band-structure calculation and the photoemission spectra. Both experiment and theory indicate nearly identical Fermi surfaces for LuRh{sub 2}Si{sub 2} and YbRh{sub 2}Si{sub 2}. The valency of Yb in YbRh{sub 2}Si{sub 2} is estimated to be close to +3.

  15. Final Technical Report: Numerical and Experimental Investigation of Turbulent Transport Control via Shaping of Radial Plasma Flow Profiles

    SciTech Connect (OSTI)

    Schuster, Eugenio

    2014-05-02

    The strong coupling between the different physical variables involved in the plasma transport phenomenon and the high complexity of its dynamics call for a model-based, multivariable approach to profile control where those predictive models could be exploited. The overall objective of this project has been to extend the existing body of work by investigating numerically and experimentally active control of unstable fluctuations, including fully developed turbulence and the associated cross-field particle transport, via manipulation of flow profiles in a magnetized laboratory plasma device. Fluctuations and particle transport can be monitored by an array of electrostatic probes, and Ex#2;B flow profiles can be controlled via a set of biased concentric ring electrodes that terminate the plasma column. The goals of the proposed research have been threefold: i- to develop a predictive code to simulate plasma transport in the linear HELCAT (HELicon-CAThode) plasma device at the University of New Mexico (UNM), where the experimental component of the proposed research has been carried out; ii- to establish the feasibility of using advanced model-based control algorithms to control cross-field turbulence-driven particle transport through appropriate manipulation of radial plasma flow profiles, iii- to investigate the fundamental nonlinear dynamics of turbulence and transport physics. Lehigh University (LU), including Prof. Eugenio Schuster and one full-time graduate student, has been primarily responsible for control-oriented modeling and model-based control design. Undergraduate students have also participated in this project through the National Science Foundation Research Experience for Undergraduate (REU) program. The main goal of the LU Plasma Control Group has been to study the feasibility of controlling turbulence-driven transport by shaping the radial poloidal flow profile (i.e., by controlling flow shear) via biased concentric ring electrodes.

  16. High pressure phase transitions in scheelite structured fluoride: ErLiF{sub 4}

    SciTech Connect (OSTI)

    Garg, Nandini; Mishra, A.K.; Poswal, H.K.; Tyagi, A.K.; Sharma, Surinder M

    2015-09-15

    Our synchrotron based angle dispersive x-ray diffraction studies on scheelite structured ErLiF{sub 4} show that it undergoes two phase transitions, at ~11.5 and ~15.5 GPa to lower symmetry monoclinic phases, before becoming (irreversibly) amorphous at ~28 GPa. The first high pressure phase transformation to the fergusonite structure (space group I2/a) is found to be of thermodynamically second order. The second high pressure phase could be fitted to the P2/c space group, but detailed analysis rules out the wolframite structure (P2/c space group), common to many scheelite compounds under high pressures. We also suggest that despite the ionic character of the LiF{sub 4} tetrahedra, the compressibility of LnLiF{sub 4} (Ln=Eu–Lu) kind of scheelites is more affected by the LnF{sub 8} dodecahedra than the LiF{sub 4} tetrahedra. - Graphical abstract: Volume per formula unit of the scheelite and high pressure phases of ErLiF{sub 4} as a function of pressure. - Highlights: • ErLiF{sub 4} transforms to fergusonite and P2/c phase at high pressure. • Polyhedra of LnF{sub 8} affects compressibility of LnLiF{sub 4} (Ln=Eu–Lu) more than LiF{sub 4}. • Amorphization pressure varies inversely in LnLiF{sub 4} with ionic size of Ln cation. • In ErLiF{sub 4}a/c ratio reduces with pressure in contrast to reported increase in YLiF{sub 4}.

  17. Synthesis of main group, rare-earth, and d{sup 0} metal complexes containing beta-hydrogen

    SciTech Connect (OSTI)

    Yan, Ka King

    2013-05-02

    A series of organometallic compounds containing the tris(dimethylsilyl)methyl ligand are described. The potassium carbanions KC(SiHMe{sub 2}){sub 3} and KC(SiHMe{sub 2}){sub 3}TMEDA are synthesized by deprotonation of the hydrocarbon HC(SiHMe{sub 2}){sub 3} with potassium benzyl. KC(SiHMe{sub 2}){sub 3}TMEDA crystallizes as a dimer with two types of three-center-two-electron KH- Si interactions. Homoleptic Ln(III) tris(silylalkyl) complexes containing β-SiH groups M{C(SiHMe{sub 2}){sub 3}}{sub 3} (Ln = Y, Lu, La) are synthesized from salt elimination of the corresponding lanthanide halide and 3 equiv. of KC(SiHMe{sub 2}){sub 3}. The related reactions with Sc yield bis(silylalkyl) ate-complexes containing either LiCl or KCl. The divalent calcium and ytterbium compounds M{C(SiHMe{sub 2}){sub 3}}{sub 2}L (M = Ca, Yb; L = THF{sub 2} or TMEDA) are prepared from MI{sub 2} and 2 equiv of KC(SiHMe{sub 2}){sub 3}. The compounds M{C(SiHMe{sub 2}){sub 3}}{sub 2}L (M = Ca, Yb; L = THF{sub 2} or TMEDA) and La{C(SiHMe{sub 2}){sub 3}}{sub 3} react with 1 equiv of B(C{sub 6}F{sub 5}){sub 3} to give 1,3- disilacyclobutane {Me2Si-C(SiHMe2)2}2 and MC(SiHMe2)3HB(C6F5)3L, and La{C(SiHMe{sub 2}){sub 3}}{sub 2}HB(C{sub 6}F{sub 5}){sub 3}, respectively. The corresponding reactions of Ln{C(SiHMe{sub 2}){sub 3}}{sub 3} (Ln = Y, Lu) give the β-SiH abstraction product [{(Me{sub 2}HSi){sub 3}C}{sub 2}LnC(SiHMe{sub 2}){sub 2}SiMe{sub 2}][HB(C{sub 6}F{sub 5}){sub 3}] (Ln = Y, Lu), but the silene remains associated with the Y or Lu center. The abstraction reactions of M{C(SiHMe{sub 2}){sub 3}}{sub 2}L (M = Ca, Yb; L = THF{sub 2 }or TMEDA) and Ln{C(SiHMe{sub 2}){sub 3}}{sub 3} (Ln = Y, Lu, La) and 2 equiv of B(C{sub 6}F{sub 5}){sub 3} give the expected dicationic M{HB(C{sub 6}F{sub 5}){sub 3}}{sub 2}L (M = Ca, Yb; L = THF{sub 2} or TMEDA) and dicationic mono(silylalkyl) LnC(SiHMe{sub 2}){sub 3}{HB(C{sub 6}F{sub 5}){sub 3}}{sub 2} (Ln = Y, Lu, La), respectively. Salt metathesis reactions of Cp

  18. Electronically- and crystal-structure-driven magnetic structures and physical properties of RScSb (R = rare earth) compounds. A neutron diffraction, magnetization and heat capacity study

    SciTech Connect (OSTI)

    Ritter, C; Dhar, S K; Kulkarni, R; Provino, A; Paudyal, Durga; Manfrinetti, Pietro; Gschneidner, Karl A

    2014-08-14

    The synthesis of the new equiatomic RScSb ( R = La-Nd, Sm, Gd-Tm, Lu, Y) compounds has been recently reported. These rare earth compounds crystallize in two different crystal structures, adopting the CeScSi-type ( I 4/ mmm) for the lighter R (La-Nd, Sm) and the CeFeSi-type (P4 /nmm) structure for the heavier R ( R = Gd-Tm, Lu, Y). Here we report the results of neutron diffraction, magnetization and heat capacity measurements on some of these compounds ( R = Ce, Pr, Nd, Gd and Tb). Band structure calculations have also been performed on CeScSb and GdScGe (CeScSi-type), and on GdScSb and TbScSb (CeFeSi-type) to compare and understand the exchange interactions in CeScSi and CeFeSi structure types. The neutron diffraction investigation shows that all five compounds order magnetically, with the highest transition temperature of 66 K in TbScSb and the lowest of about 9 K in CeScSb. The magnetic ground state is simple ferromagnetic (τ = [0 0 0]) in CeScSb, as well in NdScSb for 32 >T > 22 K. Below 22 K a second magnetic transition, with propagation vector τ = [¼ ¼ 0], appears in NdScSb. PrScSb has a magnetic structure within, determined by mostly ferromagnetic interactions and antiferromagnetic alignment of the Pr-sites connected through the I-centering ( τ = [1 0 0]). A cycloidal spiral structure with a temperature dependent propagation vector τ = [δ δ ½] is found in TbScSb. The results of magnetization and heat capacity lend support to the main conclusions derived from neutron diffraction. As inferred from a sharp peak in magnetization, GdScSb orders antiferromagnetically at 56 K. First principles calculations show lateral shift of spin split bands towards lower energy from the Fermi level as the CeScSi-type structure changes to the CeFeSi-type structure. This rigid shift may force the system to transform from exchange split ferromagnetic state to the antiferromagnetic state in RScSb compounds (as seen for example in GdScSb and TbScSb) and is proposed to

  19. A new continuous two-step molecular precursor route to rare-earth oxysulfides Ln{sub 2}O{sub 2}S

    SciTech Connect (OSTI)

    De Crom, N.

    2012-07-15

    A continuous two-step molecular precursor pathway is designed for the preparation of rare-earth oxysulfides Ln{sub 2}O{sub 2}S (Ln=Y, La, Pr, Nd, Sm-Lu). This new route involves a first oxidation step leading to the rare-earth oxysulfate Ln{sub 2}O{sub 2}SO{sub 4} which is subsequently reduced to the rare-earth oxysulfide Ln{sub 2}O{sub 2}S by switching to a H{sub 2}-Ar atmosphere. The whole process occurs at a temperature significantly lower than usual solid state synthesis (T{<=}650 Degree-Sign C) and avoids the use of dangerous sulfur-based gases, providing a convenient route to the synthesis of the entire series of Ln{sub 2}O{sub 2}S. The molecular precursors consist in heteroleptic dithiocarbamate complexes [Ln(Et{sub 2}dtc){sub 3}(phen)] and [Ln(Et{sub 2}dtc){sub 3}(bipy)] (Et{sub 2}dtc=N,N-diethyldithiocarbamate; phen=1,10-phenanthroline; bipy=2,2 Prime -bipyridine) and were synthesized by a new high yield and high purity synthesis route. The nature of the molecular precursor determines the minimum synthesis temperature and influences therefore the purity of the final Ln{sub 2}O{sub 2}S crystalline phase. - Graphical abstract: A continuous two-step molecular precursor pathway was designed for the preparation of rare-earth oxysulfides Ln{sub 2}O{sub 2}S (Ln=Y, La, Pr, Nd, Sm-Lu), starting from heteroleptic dithiocarbamate complexes. The influence of the nature of the molecular precursor on the minimum synthesis temperature and on the purity of the final Ln{sub 2}O{sub 2}S crystalline phase is discussed. Highlights: Black-Right-Pointing-Pointer A new high yield and high purity synthesis route of rare earth dithiocarbamates is described. Black-Right-Pointing-Pointer These compounds are used as precursors in a continuous process leading to rare-earth oxysulfides. Black-Right-Pointing-Pointer The oxysulfides are obtained under much more moderate conditions than previously described.

  20. Modular Code and Data System for Fast Reactor Neutronics Analyses

    Energy Science and Technology Software Center (OSTI)

    2008-06-30

    Version 00. The European Reactor ANalysis Optimized calculation System, ERANOS, has been developed and validated with the aim of providing a suitable basis for reliable neutronic calculations of current as well as advanced fast reactor cores. It consists of data libraries, deterministic codes and calculation procedures which have been developed within the European Collaboration on Fast Reactors over the past 20 years or so, in order to answer the needs of both industrial and R&Dmore » organisations. The whole system counts roughly 250 functions and 3000 subroutines totalling 450000 lines of FORTRAN-77 and ESOPE instructions. ERANOS is written using the ALOS software which requires only standard FORTRAN compilers and includes advanced programming features. A modular structure was adopted for easier evolution and incorporation of new functionalities. Blocks of data (SETs) can be created or used by the modules themselves or by the user via the LU control language. Programming, and dynamic memory allocation, are performed by means of the ESOPE language. External temporary storage and permanent storage capabilities are provided by the GEMAT and ARCHIVE functions, respectively. ESOPE, LU, GEMAT and ARCHIVE are all part of the ALOS software. This modular structure allows different modules to be linked together in procedures corresponding to recommended calculation routes ranging from fast-running and moderately-accurate 'routine' procedures to slow-running but highly-accurate 'reference' procedures. The main contents of the ERANOS-2.0 package are: nuclear data libraries (multigroup cross-sections from the JEF-2.2 evaluated nuclear data file, and other specific data files), a cell and lattice code (ECCO), reactor flux solvers (diffusion, Sn transport, nodal variational transport), a burn-up module, various processing modules (material and neutron balance, breeding gains,...), tools related to perturbation theory and sensitivity analysis, core follow-up modules (connected

  1. Methyltrihydroborate complexes of the lanthanides and actinides

    SciTech Connect (OSTI)

    Shinomoto, R.S.

    1984-11-01

    Reaction of MC1/sub 4/ (M = Zr, Hf, U, Th, Np) with LiBH/sub 3/CH/sub 3/ in chlorobenzene produces volatile, hexane-soluble M(BH/sub 3/CH/sub 3/)/sub 4/. Crystal structures are monomeric, tetrahedral species. Lewis base adducts prepared include U(BH/sub 3/CH/sub 3/)/sub 4/.THT, Th(BH/sub 3/CH/sub 3/)/sub 4/.L (L = THF (tetrahydrofuran), THT (tetrahydrothiophene), SMe/sub 2/, OMe/sub 2/), U(BH/sub 3/CH/sub 3/)/sub 4/.2L (L = THF, pyridine, NH/sub 3/), Th(BH/sub 3/CH/sub 3/)/sub 4/.2L (L = THF, THT, py, NH/sub 3/), M(BH/sub 3/CH/sub 3/)/sub 4/.L-L (M = U, Th; L-L = dme (1,2-dimethoxyethane), bmte (bis(1,2-methylthio)ethane), tmed (N,N,N',N'-tetramethylethylenediamine), dmpe (1,2-dimethylphosphinoethane)) and Th(BH/sub 3/CH/sub 3/)/sub 4/.1/2 OEt/sub 2/. Reaction of MC1/sub 3/ (M = Ho, Yb, Lu) with LiBH/sub 3/CH/sub 3/ in diethyl ether produces volatile, toluene-soluble M(BH/sub 3/CH/sub 3/)/sub 3/.OEt/sub 2/. Other Lewis base adducts prepared from M(BH/sub 3/CH/sub 3/)/sub 3/.OEt/sub 2/ include Ho(BH/sub 3/CH/sub 3/)/sub 3/.L (L = THT, THF, py), Ho(BH/sub 3/CH/sub 3/)/sub 3/.2L (L = THT, THF, py), Ho(BH/sub 3/CH/sub 3/)/sub 3/.tmed, Ho(BH/sub 3/CH/sub 3/)/sub 3/.3/2 L-L (L-L = dmpe, bmte), Yb(BH/sub 3/CH/sub 3/)/sub 3/.3/2 dmpe, Yb(BH/sub 3/Ch/sub 3/).L (L = THF, dme), Yb(BH/sub 3/CH/sub 3/)/sub 3/.2THF, and Lu(BH/sub 3/CH/sub 3/)/sub 3/.THF. By structural criteria, the bonding in actinide and lanthanide methyltrihydroborate complexes is primarily ionic in character even though they display covalent-like physical properties. Spectroscopic measurements indicate that there is some degree of covalent bonding in U(BH/sub 3/CH/sub 3/)/sub 4/.

  2. Reaction Pathways and Energetics of Etheric C−O Bond Cleavage Catalyzed by Lanthanide Triflates

    SciTech Connect (OSTI)

    Assary, Rajeev S.; Atesin, Abdurrahman C.; Li, Zhi; Curtiss, Larry A.; Marks, Tobin J.

    2013-07-15

    Efficient and selective cleavage of etheric C−O bonds is crucial for converting biomass into platform chemicals and liquid transportation fuels. In this contribution, computational methods at the DFT B3LYP level of theory are employed to understand the efficacy of lanthanide triflate catalysts (Ln(OTf)3, Ln = La, Ce, Sm, Gd, Yb, and Lu) in cleaving etheric C−O bonds. In agreement with experiment, the calculations indicate that the reaction pathway for C−O cleavage occurs via a C−H → O−H proton transfer in concert with weakening of the C−O bond of the coordinated ether substrate to ultimately yield a coordinated alkenol. The activation energy for this process falls as the lanthanide ionic radius decreases, reflecting enhanced metal ion electrophilicity. Details of the reaction mechanism for Yb(OTf)3-catalyzed ring opening are explored in depth, and for 1-methyl-d3-butyl phenyl ether, the computed primary kinetic isotope effect of 2.4 is in excellent agreement with experiment (2.7), confirming that etheric ring-opening pathway involves proton transfer from the methyl group alpha to the etheric oxygen atom, which is activated by the electrophilic lanthanide ion. Calculations of the catalytic pathway using eight different ether substrates indicate that the more rapid cleavage of acyclic versus cyclic ethers is largely due to entropic effects, with the former C−O bond scission processes increasing the degrees of freedom/particles as the transition state is approached.

  3. Re-evaluation of a subsurface injection experiment for testing flow and transport models

    SciTech Connect (OSTI)

    Fayer, M.J.; Lewis, R.E.; Engelman, R.E.; Pearson, A.L.; Murray, C.J.; Smoot, J.L. Lu, A.H.; Randall, P.R.; Wegener, W.H.

    1995-12-01

    The current preferred method for disposal of low-level radioactive waste (LLW) at the Hanford Site is to vitrify the wastes so they can be stored in a near-surface, shallow-land burial facility (Shord 1995). Pacific Northwest Laboratory (PNL) managed the PNL Vitrification Technology Development (PVTD) Project to assist Westinghouse Hanford Company (WHC) in designing and assessing the performance of a disposal facility for the vitrified LLW. Vadose zone flow and transport models are recognized as necessary tools for baseline risk assessments of stored waste forms. The objective of the Controlled Field Testing task of the PVTD Project is to perform and analyze field experiments to demonstrate the appropriateness of conceptual models for the performance assessment. The most convincing way to demonstrate appropriateness is to show that the model can reproduce the movement of water and contaminants in the field. Before expensive new experiments are initiated, an injection experiment conducted at the Hanford Site in 1980 (designated the ``Sisson and the Lu experiment``) should be completely analyzed and understood. Briefly, in that test, a solution containing multiple tracers was injected at a single point into the subsurface sediments. The resulting spread of the water and tracers was monitored in wells surrounding the injection point. Given the advances in knowledge, computational capabilities, and models over the last 15 years, it is important to re-analyze the data before proceeding to other experiments and history-matching exercises.

  4. Nuclear Data Sheets for A = 163

    SciTech Connect (OSTI)

    Reich, C.W.; Singh, Balraj

    2010-05-15

    The available data from the various reaction and decay studies leading to nuclides having mass number A=163 have been reviewed. These data are summarized and presented, together with adopted level schemes and properties, for nuclides from Eu (Z=63) through Os (Z=76). {sup 163}Eu represents a new addition to these nuclides. Level structures are now known for {sup 163}Ta and {sup 163}W through high-spin studies and recoil-decay tagging techniques. Several radioactive decays in this mass chain are not known at all or poorly established. No {beta} or {gamma}-ray data are available for {sup 163}Re-{sup 163}W-{sup 163}Ta-{sup 163}Hf {epsilon} decay chain. Those for {sup 163}Hf-{sup 163}Lu-{sup 163}Yb {epsilon} decay chain and {sup 163}Eu-{sup 163}Gd-{sup 163}Tb {beta}{sup -} decay chain are very sketchy. This evaluation is an update and revision of the previous one (2000Si01)

  5. A Fast Parallel Algorithm for Selected Inversion of Structured Sparse Matrices with Application to 2D Electronic Structure Calculations

    SciTech Connect (OSTI)

    Lin, Lin; Yang, Chao; Lu, Jiangfeng; Ying, Lexing; E, Weinan

    2009-09-25

    We present an efficient parallel algorithm and its implementation for computing the diagonal of $H^-1$ where $H$ is a 2D Kohn-Sham Hamiltonian discretized on a rectangular domain using a standard second order finite difference scheme. This type of calculation can be used to obtain an accurate approximation to the diagonal of a Fermi-Dirac function of $H$ through a recently developed pole-expansion technique \\cite{LinLuYingE2009}. The diagonal elements are needed in electronic structure calculations for quantum mechanical systems \\citeHohenbergKohn1964, KohnSham 1965,DreizlerGross1990. We show how elimination tree is used to organize the parallel computation and how synchronization overhead is reduced by passing data level by level along this tree using the technique of local buffers and relative indices. We analyze the performance of our implementation by examining its load balance and communication overhead. We show that our implementation exhibits an excellent weak scaling on a large-scale high performance distributed parallel machine. When compared with standard approach for evaluating the diagonal a Fermi-Dirac function of a Kohn-Sham Hamiltonian associated a 2D electron quantum dot, the new pole-expansion technique that uses our algorithm to compute the diagonal of $(H-z_i I)^-1$ for a small number of poles $z_i$ is much faster, especially when the quantum dot contains many electrons.

  6. Redox-inactive metal ions modulate the reactivity and oxygen release of mononuclear non-haem iron(III)–peroxo complexes

    DOE PAGES-Beta [OSTI]

    Bang, Suhee; Lee, Yong -Min; Hong, Seungwoo; Cho, Kyung -Bin; Nishida, Yusuke; Seo, Mi Sook; Sarangi, Ritimukta; Fukuzumi, Shunichi; Nam, Wonwoo

    2014-09-14

    Redox-inactive metal ions that function as Lewis acids play pivotal roles in modulating the reactivity of oxygen-containing metal complexes and metalloenzymes, such as the oxygen-evolving complex in photosystem II and its small-molecule mimics. Here we report the synthesis and characterization of non-haem iron(III)–peroxo complexes that bind redox-inactive metal ions, (TMC)FeIII–(μ,η2:η2-O2)–Mn+ (Mn+ = Sr2+, Ca2+, Zn2+, Lu3+, Y3+ and Sc3+; TMC, 1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane). We demonstrate that the Ca2+ and Sr2+ complexes showed similar electrochemical properties and reactivities in one-electron oxidation or reduction reactions. However, the properties and reactivities of complexes formed with stronger Lewis acidities were found to be markedly different. Inmore » conclusion, complexes that contain Ca2+ or Sr2+ ions were oxidized by an electron acceptor to release O2, whereas the release of O2 did not occur for complexes that bind stronger Lewis acids. Furthermore, we discuss these results in the light of the functional role of the Ca2+ ion in the oxidation of water to dioxygen by the oxygen-evolving complex.« less

  7. Elastic properties, sp³ fraction, and Raman scattering in low and high pressure synthesized diamond-like boron rich carbides

    SciTech Connect (OSTI)

    Zinin, Pavel V.; Burgess, Katherine; Jia, Ruth; Sharma, Shiv; Ming, Li-Chung; Liu, Yongsheng; Ciston, Jim; Hong, Shiming

    2014-10-07

    Dense BC{sub x} phases with high boron concentration are predicted to be metastable, superhard, and conductors or superconductors depending on boron concentration. However, up to this point, diamond-like boron rich carbides BC{sub x} (dl-BC{sub x}) phases have been thought obtainable only through high pressure and high temperature treatment, necessitating small specimen volume. Here, we use electron energy loss spectroscopy combined with transmission electron microscopy, Raman spectroscopy, surface Brillouin scattering, laser ultrasonics (LU) technique, and analysis of elastic properties to demonstrate that low pressure synthesis (chemical vapor deposition) of BC{sub x} phases may also lead to the creation of diamond-like boron rich carbides. The elastic properties of the dl-BC{sub x} phases depend on the carbon sp²versus sp³ content, which decreases with increasing boron concentration, while the boron bonds determine the shape of the Raman spectra of the dl-BC{sub x} after high pressure-high temperature treatment. Using the estimation of the density value based on the sp³ fraction, the shear modulus μ of dl-BC₄, containing 10% carbon atoms with sp³ bonds, and dl-B₃C₂, containing 38% carbon atoms with sp³ bonds, were found to be μ = 19.3 GPa and μ = 170 GPa, respectively. The presented experimental data also imply that boron atoms lead to a creation of sp³ bonds during the deposition processes.

  8. Microsoft PowerPoint - HAB 2012 Final.pptx

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    fe a n d E ff e c ti v e C le a n u p th a t P ro te c ts th e C o lu m b ia R iv e r Re du ce s th e Ac tiv e Sit e Fo ot pr int of Cl ea nu p to 75 Sq ua re Mi les (5 86 to 75 ) Sig ni fic an tly Re du ce s Lo ng -T erm Mo rtg ag e Co st s At Co m pl eti on , Sh ift s Em ph as is an d Re so ur ce s to Fu ll of th e Ce nt ra l Pla tea u (7 5 sq ua re m ile s) Re du ce s Co st s by "R i Mi ss io Ri ch la nd O pe ra tio ns Of fic e B & C Ar ea Inte rim Saf e Sto rag e f N Ar ea Inte rim

  9. Microsoft PowerPoint - HAB1111-Dowellfinalnobu.pptx

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    fe a n d E ff e c ti v e C le a n u p th a t P ro te c ts th e C o lu m b ia R iv e r ¾ Re du ce s th e Ac tiv e Sit e Fo ot pr int of Cl ea nu p to 75 Sq ua re Mi les (5 86 to 75 ) ¾ Sig ni fic an tly Re du ce s Lo ng -T erm Mo rtg ag e Co st s ¾ At Co m pl eti on , Sh ift s Em ph as is an d Re so ur ce s to Fu ll of th e Ce nt ra l Pla tea u (7 5 sq ua re m ile s) ¾ Re du ce s Co st s by "R i Mi ss io Ri ch la nd O pe ra tio ns Of fic e B & C Ar ea 9 Inte rim Saf e Sto rag e f 9 N

  10. Neutron and resonant x-ray scattering studies of RNi{sub 2}B{sub 2}C (R = rare earth) single crystals

    SciTech Connect (OSTI)

    Stassis, C.; Goldman, A.I. |

    1996-06-01

    This family of intermetallic compounds is ideal for the study of the interplay between superconductivity and magnetism since, in several of these compounds (Ho, Er, Tm, Dy), superconductivity coexists with magnetic ordering. The most important findings of the scattering studies are (a) in the Ho-compound, a complex magnetic structure characterized by two incommensurate wave vectors, {rvec k}{sub a} = 0.585 {rvec a}* and {rvec k}{sub c} = 0.915 {rvec c}*, exists in the vicinity of 5 K, where the almost reentrant behavior of this compound occurs; (b) an incommensurate magnetic structure with wave vector along {rvec a}*, close to the zone boundary, is observed in several of these compounds; and (c) pronounced soft-phonon behavior was observed for both the acoustic and first optical {Delta}{sub 4}[{xi}00] branches in the superconducting Lu and Ho compounds, a behavior characteristic of strongly coupled conventional superconductors. Furthermore, these phonon anomalies occur at wave vectors close to those of the incommensurate magnetically ordered structures observed in the magnetic compounds of this family. This observation suggests that both the magnetic ordering and phonon softening originate from common nesting features of the Fermi surfaces of these compounds. Band theoretical calculations are in qualitative agreement with these results.

  11. Data report: Jean Lake Area, Nevada. National Uranium Resource Evaluation Program

    SciTech Connect (OSTI)

    Cook, J.R.

    1982-05-01

    This report presents the results of detailed sampling of soils, rocks, and dry lake bed material from the area of Jean Dry Lake in southern Nevada. The study area is in the Kingman 1/sup 0/ x 2/sup 0/ quadrangle of the National Topographic Map Series. Samples were collected from 1000 sites. The target density of sampling was 16 sites per square mile in the lake bed and four sites per square mile for soil samples. Neutron activation analyses are presented for uranium and 16 other elements. Scintillometer readings are reported for each site. Analytical data and scintillometer measurements are presented in tables. Statistical summaries and a brief description of the results are given. Data from the sites (on microfiche in pocket) include; (1) elemental analyses (U, Th, Hf, Al, Ce, Dy, Eu, Fe, La, Lu, Mn, Sc, Sm, Na, Ti, and V); and (2) scintillometer readings. To make the data available for public use without further delay, this report is being issued without the normal technical and copy editing.

  12. Local volume fraction fluctuations in random media

    SciTech Connect (OSTI)

    Quintanilla, J.; Torquato, S.

    1997-02-01

    Although the volume fraction is a constant for a statistically homogeneous random medium, on a spatially local level it fluctuates. We study the full distribution of volume fraction within an observation window of finite size for models of random media. A formula due to Lu and Torquato for the standard deviation or {open_quotes}coarseness{close_quotes} associated with the {ital local} volume fraction {xi} is extended for the nth moment of {xi} for any n. The distribution function F{sub L} of the local volume fraction of five different model microstructures is evaluated using analytical and computer-simulation methods for a wide range of window sizes and overall volume fractions. On the line, we examine a system of fully penetrable rods and a system of totally impenetrable rods formed by random sequential addition (RSA). In the plane, we study RSA totally impenetrable disks and fully penetrable aligned squares. In three dimensions, we study fully penetrable aligned cubes. In the case of fully penetrable rods, we will also simplify and numerically invert a prior analytical result for the Laplace transform of F{sub L}. In all of these models, we show that, for sufficiently large window sizes, F{sub L} can be reasonably approximated by the normal distribution. {copyright} {ital 1997 American Institute of Physics.}

  13. Mobility of singly-charged lanthanide cations in rare gases: Theoretical assessment of the state specificity

    SciTech Connect (OSTI)

    Buchachenko, Alexei A.; Viehland, Larry A.

    2014-03-21

    High quality, ab initio calculations are reported for the potential energy curves governing the interactions of four singly-charged lanthanide ions (Yb{sup +}, Eu{sup +}, Lu{sup +}, and Gd{sup +}) with the rare gases (RG = HeXe). Scalar-relativistic coupled cluster calculations are used for the first three S-state ions, but for Gd{sup +}({sup 10}D) it is necessary to take the interaction anisotropy into account with the help of the multi-reference technique. The potential energy curves are used to determine the ion mobility and other transport properties describing the motion of the ions through the dilute RG, both as functions of the temperature, T, in the low-field limit, and at fixed T as functions of the ratio of the electrostatic field strength to the gas number density, E/N. The calculated mobilities are in good agreement with the very limited experimental data that have become available recently. The calculations show a pronounced dependence of the transport properties on the electronic configuration of the ion, as well as a significant effect of the spin-orbit coupling on the transport properties of the Gd{sup +} ion, and predict that state-specific mobilities could be detectable in Gd{sup +}RG experiments.

  14. Rare earth zirconium oxide buffer layers on metal substrates

    DOE Patents [OSTI]

    Williams, Robert K.; Paranthaman, Mariappan; Chirayil, Thomas G.; Lee, Dominic F.; Goyal, Amit; Feenstra, Roeland

    2001-01-01

    A laminate article comprises a substrate and a biaxially textured (RE.sub.x A.sub.(1-x)).sub.2 O.sub.2-(x/2) buffer layer over the substrate, wherein 0Lu. A is selected from the group consisting of Zr.sup.+4, Ce.sup.+4, Sn.sup.+4, and Hf.sup.+4. The (RE.sub.x A.sub.(1-x)).sub.2 O.sub.2-(x/2) buffer layer can be deposited using sol-gel or metal-organic decomposition. The laminate article can include a layer of YBCO over the (RE.sub.x A.sub.(1-x)).sub.2 O.sub.2-(x/2) buffer layer. A layer of CeO.sub.2 between the YBCO layer and the (RE.sub.x A.sub.(1-x)).sub.2 O.sub.2-(x/2) buffer layer can also be include. Further included can be a layer of YSZ between the CeO.sub.2 layer and the (RE.sub.x A.sub.(1-x)).sub.2 O.sub.2-(x/2) buffer layer. The substrate can be a biaxially textured metal, such as nickel. A method of forming the laminate article is also disclosed.

  15. Laminate article

    DOE Patents [OSTI]

    Williams, Robert K.; Paranthaman, Mariappan; Chirayil, Thomas G.; Lee, Dominic F.; Goyal, Amit; Feenstra, Roeland

    2002-01-01

    A laminate article comprises a substrate and a biaxially textured (RE.sub.x A.sub.(1-x)).sub.2 O.sub.2-(x/2) buffer layer over the substrate, wherein 0Lu. A is selected from the group consisting of Zr.sup.+4, Ce.sup.+4, Sn.sup.+4, and Hf.sup.+4. The (RE.sub.x A.sub.(1-x)).sub.2 O.sub.2-(x/2) buffer layer can be deposited using sol-gel or metal-organic decomposition. The laminate article can include a layer of YBCO over the (RE.sub.x A.sub.(1-x)).sub.2 O.sub.2-(x/2) buffer layer. A layer of CeO.sub.2 between the YBCO layer and the (RE.sub.x A.sub.(1-x)).sub.2 O.sub.2-(x/2) buffer layer can also be include. Further included can be a layer of YSZ between the CeO.sub.2 layer and the (RE.sub.x A.sub.(1-x)).sub.2 O.sub.2-(x/2) buffer layer. The substrate can be a biaxially textured metal, such as nickel. A method of forming the laminate article is also disclosed.

  16. Method of depositing buffer layers on biaxially textured metal substrates

    DOE Patents [OSTI]

    Beach, David B.; Morrell, Jonathan S.; Paranthaman, Mariappan; Chirayil, Thomas; Specht, Eliot D.; Goyal, Amit

    2002-08-27

    A laminate article comprises a substrate and a biaxially textured (RE.sup.1.sub.x RE.sup.2.sub.(1-x)).sub.2 O.sub.3 buffer layer over the substrate, wherein 0Lu, Gd, Tb, Dy, Tm, and Yb. The (RE.sup.1.sub.x RE.sup.2.sub.(1-x)).sub.2 O.sub.3 buffer layer can be deposited using sol-gel or metal-organic decomposition. The laminate article can include a layer of YBCO over the (RE.sup.1.sub.x RE.sup.2.sub.(1-x)).sub.2 O.sub.3 buffer layer. A layer of CeO.sub.2 between the YBCO layer and the (RE.sup.1.sub.x RE.sup.2.sub.(1-x)).sub.2 O.sub.3 buffer can also be include. Further included can be a layer of YSZ between the CeO.sub.2 layer and the (RE.sup.1.sub.x RE.sup.2.sub.(1-x)).sub.2 O.sub.3 buffer layer. The substrate can be a biaxially textured metal, such as nickel. A method of forming the laminate article is also disclosed.

  17. Catalysts for the selective oxidation of hydrogen sulfide to sulfur

    DOE Patents [OSTI]

    Srinivas, Girish; Bai, Chuansheng

    2000-08-08

    This invention provides catalysts for the oxidation of hydrogen sulfide. In particular, the invention provides catalysts for the partial oxidation of hydrogen sulfide to elemental sulfur and water. The catalytically active component of the catalyst comprises a mixture of metal oxides containing titanium oxide and one or more metal oxides which can be selected from the group of metal oxides or mixtures of metal oxides of transition metals or lanthanide metals. Preferred metal oxides for combination with TiO.sub.2 in the catalysts of this invention include oxides of V, Cr, Mn, Fe, Co, Ni, Cu, Nb, Mo, Tc, Ru, Rh, Hf, Ta, W, Au, La, Ce, Pr, Nd, Pm, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, and Lu. Catalysts which comprise a homogeneous mixture of titanium oxide and niobium (Nb) oxide are also provided. A preferred method for preparing the precursor homogenous mixture of metal hydroxides is by coprecipitation of titanium hydroxide with one or more other selected metal hydroxides. Catalysts of this invention have improved activity and/or selectivity for elemental sulfur production. Further improvements of activity and/or selectivity can be obtained by introducing relatively low amounts (up to about 5 mol %)of a promoter metal oxide (preferably of metals other than titanium and that of the selected second metal oxide) into the homogeneous metal/titanium oxide catalysts of this invention.

  18. High energy product permanent magnet having improved intrinsic coercivity and method of making same

    DOE Patents [OSTI]

    Ramesh, Ramamoorthy; Thomas, Gareth

    1990-01-01

    A high energy rare earth-ferromagnetic metal permanent magnet is disclosed which is characterized by improved intrinsic coercivity and is made by forming a particulate mixture of a permanent magnet alloy comprising one or more rare earth elements and one or more ferromagnetic metals and forming a second particulate mixture of a sintering alloy consisting essentially of 92-98 wt. % of one or more rare earth elements selected from the class consisting of Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, and mixtures of two or more of such rare earth elements, and 2-8 wt. % of one or more alloying metals selected from the class consisting of Al, Nb, Zr, V, Ta, Mo, and mixtures of two or more of such metals. The permanent magnet alloy particles and sintering aid alloy are mixed together and magnetically oriented by immersing the mixture in an axially aligned magnetic field while cold pressing the mixture. The compressed mixture is then sintered at a temperature above the melting point of the sintering aid and below the melting point of the permanent magnet alloy to thereby coat the particle surfaces of the permanent magnetic alloy particles with the sintering aid while inhibiting migration of the rare earth element in the sintering aid into the permanent magnet alloy particles to thereby raise the intrinsic coercivity of the permanent magnet alloy without substantially lowering the high energy of the permanent magnet alloy.

  19. High temperature thermometric phosphors

    DOE Patents [OSTI]

    Allison, Stephen W.; Cates, Michael R.; Boatner, Lynn A.; Gillies, George T.

    1999-03-23

    A high temperature phosphor consists essentially of a material having the general formula LuPO.sub.4 :Dy.sub.(x),Eu.sub.y) wherein: 0.1 wt %.ltoreq.x.ltoreq.20 wt % and 0.1 wt %.ltoreq.y.ltoreq.20 wt %. The high temperature phosphor is in contact with an article whose temperature is to be determined. The article having the phosphor in contact with it is placed in the environment for which the temperature of the article is to be determined. The phosphor is excited by a laser causing the phosphor to fluoresce. The emission from the phosphor is optically focused into a beam-splitting mirror which separates the emission into two separate emissions, the emission caused by the dysprosium dopant and the emission caused by the europium dopent. The separated emissions are optically filtered and the intensities of the emission are detected and measured. The ratio of the intensity of each emission is determined and the temperature of the article is calculated from the ratio of the intensities of the separate emissions.

  20. High temperature thermometric phosphors for use in a temperature sensor

    DOE Patents [OSTI]

    Allison, Stephen W.; Cates, Michael R.; Boatner, Lynn A.; Gillies, George T.

    1998-01-01

    A high temperature phosphor consists essentially of a material having the general formula LuPO.sub.4 :Dy.sub.(x),Eu.sub.(y), wherein: 0.1 wt %.ltoreq.x.ltoreq.20 wt % and 0.1 wt %.ltoreq.y.ltoreq.20 wt %. The high temperature phosphor is in contact with an article whose temperature is to be determined. The article having the phosphor in contact with it is placed in the environment for which the temperature of the article is to be determined. The phosphor is excited by a laser causing the phosphor to fluoresce. The emission from the phosphor is optically focused into a beam-splitting mirror which separates the emission into two separate emissions, the emission caused by the dysprosium dopant and the emission caused by the europium dopent. The separated emissions are optically filtered and the intensities of the emission are detected and measured. The ratio of the intensity of each emission is determined and the temperature of the article is calculated from the ratio of the intensities of the separate emissions.

  1. High temperature thermometric phosphors

    DOE Patents [OSTI]

    Allison, S.W.; Cates, M.R.; Boatner, L.A.; Gillies, G.T.

    1999-03-23

    A high temperature phosphor consists essentially of a material having the general formula LuPO{sub 4}:Dy{sub x},Eu{sub y} wherein: 0.1 wt % {<=} x {<=} 20 wt % and 0.1 wt % {<=} y {<=} 20 wt %. The high temperature phosphor is in contact with an article whose temperature is to be determined. The article having the phosphor in contact with it is placed in the environment for which the temperature of the article is to be determined. The phosphor is excited by a laser causing the phosphor to fluoresce. The emission from the phosphor is optically focused into a beam-splitting mirror which separates the emission into two separate emissions, the emission caused by the dysprosium dopant and the emission caused by the europium dopant. The separated emissions are optically filtered and the intensities of the emission are detected and measured. The ratio of the intensity of each emission is determined and the temperature of the article is calculated from the ratio of the intensities of the separate emissions. 2 figs.

  2. High temperature thermometric phosphors for use in a temperature sensor

    DOE Patents [OSTI]

    Allison, S.W.; Cates, M.R.; Boatner, L.A.; Gillies, G.T.

    1998-03-24

    A high temperature phosphor consists essentially of a material having the general formula LuPO{sub 4}:Dy{sub (x)},Eu{sub (y)}, wherein: 0.1 wt %{<=}x{<=}20 wt % and 0.1 wt %{<=}y{<=}20 wt %. The high temperature phosphor is in contact with an article whose temperature is to be determined. The article having the phosphor in contact with it is placed in the environment for which the temperature of the article is to be determined. The phosphor is excited by a laser causing the phosphor to fluoresce. The emission from the phosphor is optically focused into a beam-splitting mirror which separates the emission into two separate emissions, the emission caused by the dysprosium dopant and the emission caused by the europium dopant. The separated emissions are optically filtered and the intensities of the emission are detected and measured. The ratio of the intensity of each emission is determined and the temperature of the article is calculated from the ratio of the intensities of the separate emissions. 2 figs.

  3. An automated voxelized dosimetry tool for radionuclide therapy based on serial quantitative SPECT/CT imaging

    SciTech Connect (OSTI)

    Jackson, Price A.; Kron, Tomas; Beauregard, Jean-Mathieu; Hofman, Michael S.; Hogg, Annette; Hicks, Rodney J.

    2013-11-15

    Purpose: To create an accurate map of the distribution of radiation dose deposition in healthy and target tissues during radionuclide therapy.Methods: Serial quantitative SPECT/CT images were acquired at 4, 24, and 72 h for 28 {sup 177}Lu-octreotate peptide receptor radionuclide therapy (PRRT) administrations in 17 patients with advanced neuroendocrine tumors. Deformable image registration was combined with an in-house programming algorithm to interpolate pharmacokinetic uptake and clearance at a voxel level. The resultant cumulated activity image series are comprised of values representing the total number of decays within each voxel's volume. For PRRT, cumulated activity was translated to absorbed dose based on Monte Carlo-determined voxel S-values at a combination of long and short ranges. These dosimetric image sets were compared for mean radiation absorbed dose to at-risk organs using a conventional MIRD protocol (OLINDA 1.1).Results: Absorbed dose values to solid organs (liver, kidneys, and spleen) were within 10% using both techniques. Dose estimates to marrow were greater using the voxelized protocol, attributed to the software incorporating crossfire effect from nearby tumor volumes.Conclusions: The technique presented offers an efficient, automated tool for PRRT dosimetry based on serial post-therapy imaging. Following retrospective analysis, this method of high-resolution dosimetry may allow physicians to prescribe activity based on required dose to tumor volume or radiation limits to healthy tissue in individual patients.

  4. Thermodynamics and extraction modeling of trivalent lanthanides in the nuclear fuel cycle

    SciTech Connect (OSTI)

    Levitskaia, T.G.; Chatterjee, S.; Valerio, E.L.; Robinson, T.A.

    2013-07-01

    In this investigation, a combination of VPO (Vapor Pressure Osmometry) and water activity methods was applied to measure water activity and osmotic coefficients of binary lanthanide nitrate solutions at a temperature of 25 C. degrees. It was observed that the nature of the lanthanide nitrate has pronounced effect on the water activity in solution. In the solutions with the same Ln(NO{sub 3}){sub 3} molality, water activity is decreased in the order from the light to heavy lanthanides. This trend was explained by the contraction of the lanthanide ionic radii in the same order resulting in the [Ln(H{sub 2}O){sub n}]{sup 3+} (aq) hydration number of 9 for the early (La-Sm) and 8 for the late (Dy-Lu) lanthanides, with the intermediate metals exhibiting a mixture of eight and nine coordinate molecules. This results in the dissimilar effect of the light and heavy lanthanides on the water structure manifesting in the systematic changes of the water activity in the series of concentrated lanthanide solutions. Experimental water activity and osmotic coefficient data agree well with the literature for both 1:1 and 3:1 electrolyte systems. The Pitzer parameters obtained fitting these data are in an excellent agreement with the literature reported values for Ln(NO{sub 3}){sub 3} solutions.

  5. National Uranium Resource Evaluation Program. Data report: Arkansas, Louisiana, Mississippi, Missouri, Oklahoma, and Texas. Hydrogeochemical and stream sediment reconnaissance

    SciTech Connect (OSTI)

    Fay, W M; Sargent, K A; Cook, J R

    1982-02-01

    This report presents the results of ground water, stream water, and stream sediment reconnaissance in Arkansas, Louisiana, Mississippi, Missouri, Oklahoma, and Texas. The following samples were collected: Arkansas-3292 stream sediments, 5121 ground waters, 1711 stream waters; Louisiana-1017 stream sediments, 0 ground waters, 0 stream waters; Misissippi-0 stream sediments, 814 ground waters, 0 stream waters; Missouri-2162 stream sediments, 3423 ground waters 1340 stream waters; Oklahoma-2493 stream sediments, 2751 ground waters, 375 stream waters; and Texas-279 stream sediments, 0 ground waters, 0 stream waters. Neutron activation analyses are given for U, Br, Cl, F, Mn, Na, Al, V, and Dy in ground water and stream water, and for U, Th, Hf, Ce, Fe, Mn, Na, Sc, Ti, V, Al, Dy, Eu, La, Sm, Yb, and Lu in sediments. The results of mass spectroscopic analysis for He are given for 563 ground water sites in Mississippi. Field measurements and observations are reported for each site. Oak Ridge National Laboratory analyzed sediment samples which were not analyzed by Savannah River Laboratory neutron activation.

  6. Atomistic Structure, Strength, and Kinetic Properties of Intergranular Films in Ceramics

    SciTech Connect (OSTI)

    Garofalini, Stephen H

    2015-01-08

    Intergranular films (IGFs) present in polycrystalline oxide and nitride ceramics provide an excellent example of nanoconfined glasses that occupy only a small volume percentage of the bulk ceramic, but can significantly influence various mechanical, thermal, chemical, and optical properties. By employing molecular dynamics computer simulations, we have been able to predict structures and the locations of atoms at the crystal/IGF interface that were subsequently verified with the newest electron microscopies. Modification of the chemistry of the crystal surface in the simulations provided the necessary mechanism for adsorption of specific rare earth ions from the IGF in the liquid state to the crystal surface. Such results had eluded other computational approaches such as ab-initio calculations because of the need to include not only the modified chemistry of the crystal surfaces but also an accurate description of the adjoining glassy IGF. This segregation of certain ions from the IGF to the crystal caused changes in the local chemistry of the IGF that affected fracture behavior in the simulations. Additional work with the rare earth ions La and Lu in the silicon oxynitride IGFs showed the mechanisms for their different affects on crystal growth, even though both types of ions are seen adhering to a bounding crystal surface that would normally imply equivalent affects on grain growth.

  7. BPLU Completion and Verification Report

    SciTech Connect (OSTI)

    Dr. George L Mesina

    2011-09-01

    The Border Profile LU (BPLU) linear equation solver is the default solver for newer versions of RELAP5-3D. It can significantly reduce execution time compared to the previous default solver, MA18. Particularly for 3D cases, it can reduce run time by one to two orders of magnitude over MA18. However, because of some user reported failures, the MA18 solver currently must be used for coupled analyses. Over one dozen User Problems (UP) have been reported between 1999 and 2011 that involve the BPLU solver in RELAP5-3D. These issues can be combined into two categories of problems with the solver: (1) It fails when running multidimensional components with the nearly-implicit hydrodynamics advancement scheme. (2) It fails with some input models where the MA18 sparse solver does not fail. The sources of these UP have been found and corrected. The modified coding has been thoroughly tested with over 3000 test cases and on two different compute platforms. The updates are incorporated in RELAP5-3D, version 3.0.2.

  8. BPLU Completion and Verification Report

    SciTech Connect (OSTI)

    Dr. George L Mesina

    2011-09-01

    The Border Profile LU (BPLU) linear equation solver is the default solver for newer versions of RELAP5-3D. It can significantly reduce execution time compared to the previous default solver, MA18. Particularly for 3D cases, it can reduce run time by one to two orders of magnitude over MA18. However, because of some user reported failures, the MA18 solver currently must be used for coupled analyses. Over one dozen User Problems (UP) have been reported between 1999 and 2011 that involve the BPLU solver in RELAP5-3D. These issues can be combined into two categories of problems with the solver: • It fails when running multidimensional components with the nearly-implicit hydrodynamics advancement scheme. • It fails with some input models where the MA18 sparse solver does not fail. The sources of these UP have been found and corrected. The modified coding has been thoroughly tested with over 3000 test cases and on two different compute platforms. The updates are incorporated in RELAP5-3D, version 3.0.2.

  9. Synthesis and characterization of complexes of rare earth picrates and rac-bis(ethylsulfinyl)methane

    SciTech Connect (OSTI)

    Andrade Da Silva, M.A.; Zaim, M.H.; Isolani, P.C.

    1995-12-31

    The compound {beta}-dissulfoxide bis(ethylsufinyl)methane (besm) was prepared by oxidation of bis(ethylthio)methane with hydrogen peroxide in acetic acid, and obtained as a mixture of its meso and d,1 diastereomers. An analytical sample was obtained by recrystallization from chloroform-diethyl ether. The racemic-bis(ethylsulfinyl)methane was characterized and studied by CHS elemental analysis, high resolution mass spectrometry, infrared spectra, {sup 1}H and {sup 13}C NMR. A series of compounds with composition RE(pic){sub 3}2rac-besm [RE = La, Ce, Nd, Eu, Gd, Er, Tm, Yb, Lu and Y; pic = picrate and rac-besm = racemic-bis(ethylsulfinyl)methane] were synthesized and characterized by CHNS elemental analysis and rare earths complexometric titration with EDTA, conductance measurements, X-ray powder patterns, infrared spectra, visible absorption of the neodymium and emission spectra of the europium materials. The coordination polyhedron around the Eu{sup 3+} center is probably a dodecahedron with coordination number eight. 19 refs., 2 figs., 4 tabs.

  10. On the scalability of the Albany/FELIX first-order Stokes approximation ice sheet solver for large-scale simulations of the Greenland and Antarctic ice sheets

    DOE PAGES-Beta [OSTI]

    Tezaur, Irina K.; Tuminaro, Raymond S.; Perego, Mauro; Salinger, Andrew G.; Price, Stephen F.

    2015-01-01

    We examine the scalability of the recently developed Albany/FELIX finite-element based code for the first-order Stokes momentum balance equations for ice flow. We focus our analysis on the performance of two possible preconditioners for the iterative solution of the sparse linear systems that arise from the discretization of the governing equations: (1) a preconditioner based on the incomplete LU (ILU) factorization, and (2) a recently-developed algebraic multigrid (AMG) preconditioner, constructed using the idea of semi-coarsening. A strong scalability study on a realistic, high resolution Greenland ice sheet problem reveals that, for a given number of processor cores, the AMG preconditionermore » results in faster linear solve times but the ILU preconditioner exhibits better scalability. A weak scalability study is performed on a realistic, moderate resolution Antarctic ice sheet problem, a substantial fraction of which contains floating ice shelves, making it fundamentally different from the Greenland ice sheet problem. Here, we show that as the problem size increases, the performance of the ILU preconditioner deteriorates whereas the AMG preconditioner maintains scalability. This is because the linear systems are extremely ill-conditioned in the presence of floating ice shelves, and the ill-conditioning has a greater negative effect on the ILU preconditioner than on the AMG preconditioner.« less

  11. Rapid Microwave Preparation of Highly Efficient Ce[superscript 3+]-Substituted Garnet Phosphors for Solid State White Lighting

    SciTech Connect (OSTI)

    Birkel, Alexander; Denault, Kristin A.; George, Nathan C.; Doll, Courtney E.; Hry, Bathylle; Mikhailovsky, Alexander A.; Birkel, Christina S.; Hong, Byung-Chul; Seshadri, Ram (UCSB); (Mitsubishi)

    2012-04-30

    Ce{sup 3+}-substituted aluminum garnet compounds of yttrium (Y{sub 3}Al{sub 5}O{sub 12}) and lutetium (Lu{sub 3}Al{sub 5}O{sub 12}) - both important compounds in the generation of (In,Ga)N-based solid state white lighting - have been prepared using a simple microwave heating technique involving the use of a microwave susceptor to provide the initial heat source. Carbon used as the susceptor additionally creates a reducing atmosphere around the sample that helps stabilize the desired luminescent compound. High quality, phase-pure materials are prepared within a fraction of the time and using a fraction of the energy required in a conventional ceramic preparation; the microwave technique allows for a reduction of about 95% in preparation time, making it possible to obtain phase pure, Ce{sup 3+}-substituted garnet compounds in under 20 min of reaction time. It is estimated that the overall reduction in energy compared with ceramic routes as practiced in the lab is close to 99%. Conventionally prepared material is compared with material prepared using microwave heating in terms of structure, morphology, and optical properties, including quantum yield and thermal quenching of luminescence. Finally, the microwave-prepared compounds have been incorporated into light-emitting diode 'caps' to test their performance characteristics in a real device, in terms of their photon efficiency and color coordinates.

  12. Manganite perovskite ceramics, their precursors and methods for forming

    DOE Patents [OSTI]

    Payne, David Alan; Clothier, Brent Allen

    2015-03-10

    Disclosed are a variety of ceramics having the formula Ln.sub.1-xM.sub.xMnO.sub.3, where 0.Itoreq.x.Itoreq.1 and where Ln is La, Ce, Pr, Nd, Pm, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu or Y; M is Ca, Sr, Ba, Cd, or Pb; manganite precursors for preparing the ceramics; a method for preparing the precursors; and a method for transforming the precursors into uniform, defect-free ceramics having magnetoresistance properties. The manganite precursors contain a sol and are derived from the metal alkoxides: Ln(OR).sub.3, M(OR).sub.2 and Mn(OR).sub.2, where R is C.sub.2 to C.sub.6 alkyl or C.sub.3 to C.sub.9 alkoxyalkyl, or C.sub.6 to C.sub.9 aryl. The preferred ceramics are films prepared by a spin coating method and are particularly suited for incorporation into a device such as an integrated circuit device.

  13. Luminescence and structural properties of oxyorthosilicate and Al2O3 nanophosphors

    SciTech Connect (OSTI)

    Blair, Michael W; Jacobsohn, Luiz G; Bennett, Bryan L; Tornga, Stephanie C; Muenchausen, Ross E; Yukihara, Eduardo G

    2008-01-01

    A large amount of research has been conducted on semiconducting quantum dots exploring quantum confinement effects. On the other hand, nanophosphors -- inorganic insulating nanostructured luminescent materials -- have received considerably less attention. Our research involving nanomaterials has then focused on the question: How does reduced dimensionality affect the physical and chemical behavior of nanophosphors? In order to partially answer this fundamental question, we have produced numerous oxides, among them Lu{sub 2}SiO{sub 5}Ce (LSO), Y{sub 2}SiO{sub 5}:Ce (YSO), Gd{sub 2}SiO{sub 5}:Ce (GSO), and Al{sub 2}O{sub 3}, and characterized their structural and luminescent properties. Structure, grain size, phase purity and chemical homogeneity in the nanoscale were determined using x-ray diffraction, transmission electron microscopy, and electron paramagnetic resonance. The luminescent properties of the nanophosphors were characterized by thermoluminescence, radioluminescence, photoluminescence, and optically stimulated luminescence. In this work, we present an overview of the nascent field of nanophosphors, and summarize the results obtained in our laboratory with particular emphasis on the luminescent properties.

  14. Wells 1/sup 0/ x 2/sup 0/ NTMS area, Nevada. Data report (abbreviated)

    SciTech Connect (OSTI)

    Cook, J.R.

    1980-07-01

    Surface sediment samples were collected at 1336 sites, at a target sampling density of one site per 13 square kilometers. Ground water samples were collected at 112 sites. Neutron activation analysis results are given for uranium and 16 other elements in sediments, and for uranium and 9 other elements in ground water and surface water. Mass spectrometry results are given for helium in ground water. Field measurements and observations are reported for each site. Data from ground water and surface water sites include (1) water chemistry measurements (pH, conductivity, and alkalinity), (2) physical measurements where applicable (water temperature, well description, and scintillometer reading), and (3) elemental analyses (U, Al, Br, Cl, Dy, F, Mg, Mn, Na, and V). Helium analyses are given for ground water. Data from sediment sites include (1) stream water chemistry measurements from sites where water was available, and (2) elemental analyses for sediment samples (U, Th, Hf, Al, Ce, Dy, Eu, Fe, La, Lu, Mn, Sc, Sm, Na, Ti, V, and Yb). Areal distribution maps, histograms, and cumulative frequency plots for most elements; U/Th, U/Hf, U/(Th + Hf), and U/La ratios; and scintillometer readings at sediment sample sites are included.

  15. X-ray and gamma ray detector readout system

    DOE Patents [OSTI]

    Tumer, Tumay O; Clajus, Martin; Visser, Gerard

    2010-10-19

    A readout electronics scheme is under development for high resolution, compact PET (positron emission tomography) imagers based on LSO (lutetium ortho-oxysilicate, Lu.sub.2SiO.sub.5) scintillator and avalanche photodiode (APD) arrays. The key is to obtain sufficient timing and energy resolution at a low power level, less than about 30 mW per channel, including all required functions. To this end, a simple leading edge level crossing discriminator is used, in combination with a transimpedance preamplifier. The APD used has a gain of order 1,000, and an output noise current of several pA/ Hz, allowing bipolar technology to be used instead of CMOS, for increased speed and power efficiency. A prototype of the preamplifier and discriminator has been constructed, achieving timing resolution of 1.5 ns FWHM, 2.7 ns full width at one tenth maximum, relative to an LSO/PMT detector, and an energy resolution of 13.6% FWHM at 511 keV, while operating at a power level of 22 mW per channel. Work is in progress towards integration of this preamplifier and discriminator with appropriate coincidence logic and amplitude measurement circuits in an ASIC suitable for a high resolution compact PET instrument. The detector system and/or ASIC can also be used for many other applications for medical to industrial imaging.

  16. Rare earth elements in chloride-rich groundwater, Palo Duro Basin, Texas, USA

    SciTech Connect (OSTI)

    Gosselin, D.C. ); Smith, M.R.; Lepel, E.A. ); Laul, J.C. )

    1992-04-01

    Rare earth element (REE) data for groundwater samples from the Deep-Basin Brine aquifer of the Palo Duro Basin, Texas, USA, illustrates the potential use of REE for inferring groundwater flow paths through different geologic materials. The REE content of the groundwaters range over 2.5 orders of magnitude and are depleted by 10{sup 2} to 10{sup 5} relative to aquifer materials. The shale-normalized REE patterns for groundwater that have primarily interacted with arkosic sandstones (granite wash) are flat with similar heavy REE (HREE) enrichments ((Lu/La){sub n} = 0.60 to 0.80). The samples with highest REE contents and REE patterns, which are enriched in the intermediate REEs (IREEs; Sm-Tb) reflect variable degrees of interaction with carbonate rocks. The IREE enrichment is the result of fluid interaction with Fe-Mn coatings on carbonate minerals and/or secondary minerals in fractures and vugs. The chloride complex. (LnCl{sup 2+}), and free-ions are the predominant REE species, accounting for over 95% of the REEs. Carbonate and sulfate species account for the other 5% and have very little influence on the behavior of the REEs. Although this study indicates a potentially important role for the REEs in understanding geochemical transport and groundwater movement, it also indicates the necessity for developing a better understanding of REE speciation in high ionic strength solutions.

  17. Precise trace rare earth analysis by radiochemical neutron activation

    SciTech Connect (OSTI)

    Laul, J.C.; Lepel, E.A.; Weimer, W.C.; Wogman, N.A.

    1981-06-01

    A rare earth group separation scheme followed by normal Ge(Li), low energy photon detector (LEPD), and Ge(Li)-NaI(Tl) coincidence-noncoincidence spectrometry significantly enhances the detection sensitivity of individual rare earth elements (REE) at or below the ppB level. Based on the selected ..gamma..-ray energies, normal Ge(Li) counting is favored for /sup 140/La, /sup 170/Tb, and /sup 169/Yb; LEPD is favored for low ..gamma..-ray energies of /sup 147/Nd, /sup 153/Sm, /sup 166/Ho, and /sup 169/Yb; and noncoincidence counting is favored for /sup 141/Ce, /sup 143/Ce, /sup 142/Pr, /sup 153/Sm, /sup 171/Er, and /sup 175/Yb. The detection of radionuclides /sup 152m/Eu, /sup 159/Gd, and /sup 177/Lu is equally sensitive by normal Ge(Li) and noncoincidence counting; /sup 152/Eu is equally sensitive by LEPD and normal Ge(Li); and /sup 153/Gd and /sup 170/Tm is equally favored by all the counting modes. Overall, noncoincidence counting is favored for most of the REE. Precise measurements of the REE were made in geological and biological standards.

  18. Precise rare earth analysis of geological materials

    SciTech Connect (OSTI)

    Laul, J.C.; Wogman, N.A.

    1982-01-01

    Rare earth element (REE) concentrations are very informative in revealing chemical fractionation processs in geological systems. The REE's (La-Lu) behavior is characteristic of various primary and secondary minerals which comprise a rock. The REE's contents and their patterns provide a strong fingerprint in distinguishing among various rock types and in understanding the partial melting and/or fractional crystallization of the source region. The REE contents in geological materials are usually at trace levels. To measure all the REE at such levels, radiochemical neutron activation analysis (RNAA) has been used with a REE group separation scheme. To maximize detection sensitivites for individual REE, selective ..gamma..-ray/x-ray measurements have been made using normal Ge(Li) and low-energy photon detectors (LEPD), and Ge(Li)-NaI(Tl) coincidence-noncoincidence spectrometer systems. Using these detection methods an individual REE can be measured at or below the ppB levels; chemical yields of the REE are determined by reactivation.

  19. Laminate articles on biaxially textured metal substrates

    DOE Patents [OSTI]

    Beach, David B.; Morrell, Jonathan S.; Paranthaman, Mariappan; Chirayil, Thomas; Specht, Eliot D.; Goyal, Amit

    2003-12-16

    A laminate article comprises a substrate and a biaxially textured (RE.sup.1.sub.x RE.sup.2.sub.(1-x)).sub.2 O.sub.3 buffer layer over the substrate, wherein 0Lu, Gd, Tb, Dy, Tm, and Yb. The (RE.sup.1.sub.x RE.sup.2.sub.(1-x)).sub.2 O.sub.3 buffer layer can be deposited using sol-gel or metal-organic decomposition. The laminate article can include a layer of YBCO over the (RE.sup.1.sub.x RE.sup.2.sub.(1-x)).sub.2 O.sub.3 buffer layer. A layer of CeO.sub.2 between the YBCO layer and the (RE.sup.1.sub.x RE.sup.2.sub.(1-x)).sub.2 O.sub.3 buffer can also be include. Further included can be a layer of YSZ between the CeO.sub.2 layer and the (R.sup.1.sub.x RE.sup.2.sub.(1-x)).sub.2 O.sub.3 buffer layer. The substrate can be a biaxially textured metal, such as nickel. A method of forming the laminate article is also disclosed.

  20. AFFECTS OF MECHANICAL MILLING AND METAL OXIDE ADDITIVES ON SORPTION KINETICS OF 1:1 LiNH2/MgH2 MIXTURE

    SciTech Connect (OSTI)

    Erdy, C.; Anton, D.; Gray, J.

    2010-12-08

    The destabilized complex hydride system composed of LiNH{sub 2}:MgH{sub 2} (1:1 molar ratio) is one of the leading candidates of hydrogen storage with a reversible hydrogen storage capacity of 8.1 wt%. A low sorption enthalpy of {approx}32 kJ/mole H{sub 2} was first predicted by Alapati et al. utilizing first principle density function theory (DFT) calculations and has been subsequently confirmed empirically by Lu et al. through differential thermal analysis (DTA). This enthalpy suggests that favorable sorption kinetics should be obtainable at temperatures in the range of 160 C to 200 C. Preliminary experiments reported in the literature indicate that sorption kinetics are substantially lower than expected in this temperature range despite favorable thermodynamics. Systematic isothermal and isobaric sorption experiments were performed using a Sievert's apparatus to form a baseline data set by which to compare kinetic results over the pressure and temperature range anticipated for use of this material as a hydrogen storage media. Various material preparation methods and compositional modifications were performed in attempts to increase the kinetics while lowering the sorption temperatures. This paper outlines the results of these systematic tests and describes a number of beneficial additions which influence kinetics as well as NH{sub 3} formation.

  1. C) C)

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    -, n z =) C: c Cl C11 0 rn4LT n C) C) 7.- C: C -~ c~72 -LU C= 0 0C1 C) -~ ~ C. COC:) \ - C:> ( mN Ut - - ' r C) 0 C l O l O - C C7 0 O Cl7 -0 -~ 't C) C 't C: O O - n Vn- C) n - r r tr) C: CD c) C:) C: Cl: C V) - 00 0 ) 0 C C ) C cz t! 2 0 cz C ; C3 C.) - C) C:) C: C) C) C) -0 -0 0D 0: 0 7t 00 o- 0 CDc C: 0 C = C-4 N C14 NC _ oC oC C7C 0 l CC C)C CA CIA CC 0 CC C CCA N C14 0A V0 CC kr)C CC) C: CC CC ~0 Cr 4 CCr CC) CC CC 0 CC C CC0 0 0 C C C CC C ~1- ~- CC CC 0 C1 4 11n -0 0 1 C Yo Co C) 0)

  2. Estimating Field-Scale Hydraulic Parameters of Heterogeneous Soils Using A Combination of Parameter Scaling and Inverse Methods

    SciTech Connect (OSTI)

    Zhang, Z. F.; Ward, Andy L.; Gee, Glendon W.

    2002-12-10

    calibration and data shortcomings and needs, and 4) not restricting the initial and boundary-flow conditions, the constitutive relationships, or the treatment of heterogeneity. On this project, inverse modeling was performed using the combination of two computer models, one for forward flow modeling and the other for nonlinear regression. The forward model used to simulate water flow was the Subsurface Transport Over Multiple Phases (STOMP) numerical simulator (White and Oostrom 2000). STOMP was designed to solve a variety of nonlinear, multiple-phase, flow and transport problems for unsaturated porous media. The Universal CODE (UCODE) model (Poeter and Hill 1998) was used to perform inverse modeling posed as a parameter-estimation problem using nonlinear regression. Inverse techniques were applied to two cases of one-dimensional flow in layered soils and one case of three-dimensional flow in a heterogeneous soil. The results show that the simulation errors were significantly reduced after applying parameter scaling and inverse modeling. When compared to the use of local-scale parameters, parameter scaling reduced the sum of squared weighted residue by 93 to 96% for the relatively smaller scale (~2 m [~6.6 ft]) one-dimensional flow and 59% for the more complex Sisson and Lu site, which has the spatial scale of about 18 m (60 ft). This parameter estimation method will be applied to analyze the first two years of field experiments completed at the Sisson and Lu site.

  3. A review of lunar chronology revealing a preponderance of 4.34-4.37 Ga ages

    SciTech Connect (OSTI)

    Borg, Lars E.; Gaffney, Amy M.; Shearer, Charles K.

    2014-11-24

    In this study, data obtained from Sm-Nd and Rb-Sr isotopic measurements of lunar highlands’ samples are renormalized to common standard values and then used to define ages with a common isochron regression algorithm. The reliability of these ages is evaluated using five criteria that include whether: (1) the ages are defined by multiple isotopic systems, (2) the data demonstrate limited scatter outside uncertainty, (3) initial isotopic compositions are consistent with the petrogenesis of the samples, (4) the ages are defined by an isotopic system that is resistant to disturbance by impact metamorphism, and (5) the rare-earth element abundances determined by isotope dilution of bulk of mineral fractions match those measured by in situ analyses. From this analysis, it is apparent that the oldest highlands’ rock ages are some of the least reliable, and that there is little support for crustal ages older than ~4.40 Ga. A model age for ur-KREEP formation calculated using the most reliable Mg-suite Sm-Nd isotopic systematics, in conjunction with Sm-Nd analyses of KREEP basalts, is 4389 ± 45 Ma. This age is a good match to the Lu-Hf model age of 4353 ± 37 Ma determined using a subset of this sample suite, the average model age of 4353 ± 25 Ma determined on mare basalts with the 146Sm-142Nd isotopic system, with a peak in Pb-Pb ages observed in lunar zircons of ~4340 ± 20 Ma, and the oldest terrestrial zircon age of 4374 ± 6 Ma. The preponderance of ages between 4.34 and 4.37 Ga reflect either primordial solidification of a lunar magma ocean or a widespread secondary magmatic event on the lunar nearside. The first scenario is not consistent with the oldest ages reported for lunar zircons, whereas the second scenario does not account for concordance between ages of crustal rocks and mantle reservoirs.

  4. A review of lunar chronology revealing a preponderance of 4.34-4.37 Ga ages

    DOE PAGES-Beta [OSTI]

    Borg, Lars E.; Gaffney, Amy M.; Shearer, Charles K.

    2014-11-24

    In this study, data obtained from Sm-Nd and Rb-Sr isotopic measurements of lunar highlands’ samples are renormalized to common standard values and then used to define ages with a common isochron regression algorithm. The reliability of these ages is evaluated using five criteria that include whether: (1) the ages are defined by multiple isotopic systems, (2) the data demonstrate limited scatter outside uncertainty, (3) initial isotopic compositions are consistent with the petrogenesis of the samples, (4) the ages are defined by an isotopic system that is resistant to disturbance by impact metamorphism, and (5) the rare-earth element abundances determined bymore » isotope dilution of bulk of mineral fractions match those measured by in situ analyses. From this analysis, it is apparent that the oldest highlands’ rock ages are some of the least reliable, and that there is little support for crustal ages older than ~4.40 Ga. A model age for ur-KREEP formation calculated using the most reliable Mg-suite Sm-Nd isotopic systematics, in conjunction with Sm-Nd analyses of KREEP basalts, is 4389 ± 45 Ma. This age is a good match to the Lu-Hf model age of 4353 ± 37 Ma determined using a subset of this sample suite, the average model age of 4353 ± 25 Ma determined on mare basalts with the 146Sm-142Nd isotopic system, with a peak in Pb-Pb ages observed in lunar zircons of ~4340 ± 20 Ma, and the oldest terrestrial zircon age of 4374 ± 6 Ma. The preponderance of ages between 4.34 and 4.37 Ga reflect either primordial solidification of a lunar magma ocean or a widespread secondary magmatic event on the lunar nearside. The first scenario is not consistent with the oldest ages reported for lunar zircons, whereas the second scenario does not account for concordance between ages of crustal rocks and mantle reservoirs.« less

  5. Redox-inactive metal ions modulate the reactivity and oxygen release of mononuclear non-haem iron(III)–peroxo complexes

    SciTech Connect (OSTI)

    Bang, Suhee; Lee, Yong -Min; Hong, Seungwoo; Cho, Kyung -Bin; Nishida, Yusuke; Seo, Mi Sook; Sarangi, Ritimukta; Fukuzumi, Shunichi; Nam, Wonwoo

    2014-09-14

    Redox-inactive metal ions that function as Lewis acids play pivotal roles in modulating the reactivity of oxygen-containing metal complexes and metalloenzymes, such as the oxygen-evolving complex in photosystem II and its small-molecule mimics. Here we report the synthesis and characterization of non-haem iron(III)–peroxo complexes that bind redox-inactive metal ions, (TMC)FeIII–(μ,η22-O2)–Mn+ (Mn+ = Sr2+, Ca2+, Zn2+, Lu3+, Y3+ and Sc3+; TMC, 1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane). We demonstrate that the Ca2+ and Sr2+ complexes showed similar electrochemical properties and reactivities in one-electron oxidation or reduction reactions. However, the properties and reactivities of complexes formed with stronger Lewis acidities were found to be markedly different. In conclusion, complexes that contain Ca2+ or Sr2+ ions were oxidized by an electron acceptor to release O2, whereas the release of O2 did not occur for complexes that bind stronger Lewis acids. Furthermore, we discuss these results in the light of the functional role of the Ca2+ ion in the oxidation of water to dioxygen by the oxygen-evolving complex.

  6. A full-dimensional multilayer multiconfiguration time-dependent Hartree study on the ultraviolet absorption spectrum of formaldehyde oxide

    SciTech Connect (OSTI)

    Meng, Qingyong, E-mail: mengqingyong@dicp.ac.cn [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Zhongshan Road 457, 116023 Dalian (China); Meyer, Hans-Dieter, E-mail: hans-dieter.meyer@pci.uni-heidelberg.de [Theoretische Chemie, Physikalisch-Chemisches Institut, Ruprecht-Karls Universitt Heidelberg, Im Neuenheimer Feld 229, D-69120 Heidelberg (Germany)

    2014-09-28

    Employing the multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) method in conjunction with the multistate multimode vibronic coupling Hamiltonian (MMVCH) model, we perform a full dimensional (9D) quantum dynamical study on the simplest Criegee intermediate, formaldehyde oxide, in five lower-lying singlet electronic states. The ultraviolet (UV) spectrum is then simulated by a Fourier transform of the auto-correlation function. The MMVCH model is built based on extensive MRCI(8e,8o)/aug-cc-pVTZ calculations. To ensure a fast convergence of the final calculations, a large number of ML-MCTDH test calculations is performed to find an appropriate multilayer separations (ML-trees) of the ML-MCTDH nuclear wave functions, and the dynamical calculations are carefully checked to ensure that the calculations are well converged. To compare the computational efficiency, standard MCTDH simulations using the same Hamiltonian are also performed. A comparison of the MCTDH and ML-MCTDH calculations shows that even for the present not-too-large system (9D here) the ML-MCTDH calculations can save a considerable amount of computational resources while producing identical spectra as the MCTDH calculations. Furthermore, the present theoretical B{sup ~} {sup 1}A{sup ?}?X{sup ~} {sup 1}A{sup ?} UV spectral band and the corresponding experimental measurements [J. M. Beames, F. Liu, L. Lu, and M. I. Lester, J. Am. Chem. Soc. 134, 2004520048 (2012); L. Sheps, J. Phys. Chem. Lett. 4, 42014205 (2013); W.-L. Ting, Y.-H. Chen, W. Chao, M. C. Smith, and J. J.-M. Lin, Phys. Chem. Chem. Phys. 16, 1043810443 (2014)] are discussed. To the best of our knowledge, this is the first theoretical UV spectrum simulated for this molecule including nuclear motion beyond an adiabatic harmonic approximation.

  7. 3,4,3-LI(1,2-HOPO): In Vitro Formation of Highly Stable Lanthanide Complexes Translates into Efficacious In Vivo Europium Decorporation

    SciTech Connect (OSTI)

    Sturzbecher-Hoehne, Manuel; Ng Pak Leung, Clara; Daleo, Anthony; Kullgren, Birgitta; Prigent, Anne-Laure; Shuh, David K.; Raymond, Kenneth N.; Abergel, Rebecca J.

    2011-07-13

    The spermine-based hydroxypyridonate octadentate chelator 3,4,3-LI(1,2-HOPO) was investigated for its ability to act as an antennae that sensitizes the emission of Sm{sup III}, Eu{sup III}, and Tb{sup III} in the Visible range (Φ{sub tot} = 0.2 - 7%) and the emission of Pr{sup III}, Nd{sup III}, Sm{sup III}, and Yb{sup III} in the Near Infra-Red range, with decay times varying from 1.78 μs to 805 μs at room temperature. The particular luminescence spectroscopic properties of these lanthanide complexes formed with 3,4,3-LI(1,2-HOPO) were used to characterize their respective solution thermodynamic stabilities as well as those of the corresponding La{sup III}, Gd{sup III}, Dy{sup III}, Ho{sup III}, Er{sup III}, Tm{sup III}, and Lu{sup III} complexes. The remarkably high affinity of 3,4,3-LI(1,2-HOPO) for lanthanide metal ions and the resulting high complex stabilities (pM values ranging from 17.2 for La{sup III} to 23.1 for Yb{sup III}) constitute a necessary but not sufficient criteria to consider this octadentate ligand an optimal candidate for in vivo metal decorporation. The in vivo lanthanide complex stability and decorporation capacity of the ligand were assessed, using the radioactive isotope {sup 152}Eu as a tracer in a rodent model, which provided a direct comparison with the in vitro thermodynamic results and demonstrated the great potential of 3,4,3-LI(1,2-HOPO) as a therapeutic metal chelating agent.

  8. Two variants of minimum discarded fill ordering

    SciTech Connect (OSTI)

    D'Azevedo, E.F. ); Forsyth, P.A.; Tang, Wei-Pai . Dept. of Computer Science)

    1991-01-01

    It is well known that the ordering of the unknowns can have a significant effect on the convergence of Preconditioned Conjugate Gradient (PCG) methods. There has been considerable experimental work on the effects of ordering for regular finite difference problems. In many cases, good results have been obtained with preconditioners based on diagonal, spiral or natural row orderings. However, for finite element problems having unstructured grids or grids generated by a local refinement approach, it is difficult to define many of the orderings for more regular problems. A recently proposed Minimum Discarded Fill (MDF) ordering technique is effective in finding high quality Incomplete LU (ILU) preconditioners, especially for problems arising from unstructured finite element grids. Testing indicates this algorithm can identify a rather complicated physical structure in an anisotropic problem and orders the unknowns in the preferred'' direction. The MDF technique may be viewed as the numerical analogue of the minimum deficiency algorithm in sparse matrix technology. At any stage of the partial elimination, the MDF technique chooses the next pivot node so as to minimize the amount of discarded fill. In this work, two efficient variants of the MDF technique are explored to produce cost-effective high-order ILU preconditioners. The Threshold MDF orderings combine MDF ideas with drop tolerance techniques to identify the sparsity pattern in the ILU preconditioners. These techniques identify an ordering that encourages fast decay of the entries in the ILU factorization. The Minimum Update Matrix (MUM) ordering technique is a simplification of the MDF ordering and is closely related to the minimum degree algorithm. The MUM ordering is especially for large problems arising from Navier-Stokes problems. Some interesting pictures of the orderings are presented using a visualization tool. 22 refs., 4 figs., 7 tabs.

  9. Production of Endohedral Fullerenes by Ion Implantation

    SciTech Connect (OSTI)

    Diener, M.D.; Alford, J. M.; Mirzadeh, S.

    2007-05-31

    The empty interior cavity of fullerenes has long been touted for containment of radionuclides during in vivo transport, during radioimmunotherapy (RIT) and radioimaging for example. As the chemistry required to open a hole in fullerene is complex and exceedingly unlikely to occur in vivo, and conformational stability of the fullerene cage is absolute, atoms trapped within fullerenes can only be released during extremely energetic events. Encapsulating radionuclides in fullerenes could therefore potentially eliminate undesired toxicity resulting from leakage and catabolism of radionuclides administered with other techniques. At the start of this project however, methods for production of transition metal and p-electron metal endohedral fullerenes were completely unknown, and only one method for production of endohedral radiofullerenes was known. They therefore investigated three different methods for the production of therapeutically useful endohedral metallofullerenes: (1) implantation of ions using the high intensity ion beam at the Oak Ridge National Laboratory (ORNL) Surface Modification and Characterization Research Center (SMAC) and fullerenes as the target; (2) implantation of ions using the recoil energy following alpha decay; and (3) implantation of ions using the recoil energy following neutron capture, using ORNL's High Flux Isotope Reactor (HFIR) as a thermal neutron source. While they were unable to obtain evidence of successful implantation using the ion beam at SMAC, recoil following alpha decay and neutron capture were both found to be economically viable methods for the production of therapeutically useful radiofullerenes. In this report, the procedures for preparing fullerenes containing the isotopes {sup 212}Pb, {sup 212}Bi, {sup 213}Bi, and {sup 177}Lu are described. None of these endohedral fullerenes had ever previously been prepared, and all of these radioisotopes are actively under investigation for RIT. Additionally, the chemistry for

  10. Atomic radii for atoms with the 6s shell outermost: The effective atomic radius and the van der Waals radius from {sub 55}Cs to {sub 80}Hg

    SciTech Connect (OSTI)

    Tatewaki, Hiroshi; Hatano, Yasuyo; Noro, Takeshi; Yamamoto, Shigeyoshi

    2015-06-15

    We consider, for atoms from {sub 55}Cs to {sub 80}Hg, the effective atomic radius (r{sub ear}), which is defined as the distance from the nucleus at which the magnitude of the electric field is equal to that in He at one half of the equilibrium bond length of He{sub 2}. The values of r{sub ear} are about 50% larger than the mean radius of the outermost occupied orbital of 6s, . The value of r{sub ear} decreases from {sub 55}Cs to {sub 56}Ba and undergoes increases and decreases with rising nuclear charge from {sub 57}La to {sub 70}Y b. In fact r{sub ear} is understood as comprising two interlaced sequences; one consists of {sub 57}La, {sub 58}Ce, and {sub 64}Gd, which have electronic configuration (4f{sup n−1})(5d{sup 1})(6s{sup 2}), and the remaining atoms have configuration (4f{sup n})(6s{sup 2}). The sphere defined by r{sub ear} contains 85%–90% of the 6s electrons. From {sub 71}Lu to {sub 80}Hg the radius r{sub ear} also involves two sequences, corresponding to the two configurations 5d{sup n+1}6s{sup 1} and 5d{sup n}6s{sup 2}. The radius r{sub ear} according to the present methodology is considerably larger than r{sub vdW} obtained by other investigators, some of who have found values of r{sub vdW} close to .

  11. Death Valley 1/sup 0/ x 2/sup 0/ NTMS area, California and Nevada. Data report: National Uranium Resource Evaluation program, hydrogeochemical and stream sediment reconnaissance

    SciTech Connect (OSTI)

    Cook, J.R.

    1980-04-01

    Results of ground water and stream sediment reconnaissance in the National Topographic Map Series (NTMS) Death Valley 1/sup 0/ x 2/sup 0/ quadrangle are presented. Stream sediment samples were collected from small streams at 649 sites or at a nominal density of one site per 20 square kilometers. Ground water samples were collected at 62 sites or at a nominal density of one site per 220 square kilometers. Neutron activation analysis results are given for uranium and 16 other elements in sediments, and for uranium and 8 other elements in ground water and surface water. Mass spectrometry results are given for helium in ground water. Field measurements and observations are reported for each site. Analytical data and field measurements are presented in tables and maps. Statistical summaries of data and a brief description of results are given. A generalized geologic map and a summary of the geology of the area are included. Key data from ground water sites include (1) water chemistry measurements (pH, conductivity, and alkalinity), (2) scintillometer readings, and (3) elemental analyses (U, Br, Cl, F, He, Mn, Na, and V). Supplementary data include site descriptors, tabulated analytical data for Al, Dy, and Mg, and histograms and cumulative frequency plots for all elements. Key data from stream sediment sites include (1) water quality measurements (2) important elemental analyses, (U, Th, Hf, Ce, Fe, Mn, Sc, Na, Ti, and V), and (3) scintillometer readings. Supplementary data from stream sediment sites include sample site descriptors (stream characteristics, vegetation, etc.), additional elemental analyses (Dy, Eu, La, Lu, Sm, and Yb), and histograms and cumulative frequency plots for all elements.

  12. SU-E-J-03: A Comprehensive Comparison Between Alpha and Beta Emitters for Cancer Radioimmunotherapy

    SciTech Connect (OSTI)

    Huang, C.Y.; Guatelli, S; Oborn, B; Allen, B

    2014-06-01

    Purpose: The purpose of this study is to perform a comprehensive comparison of the therapeutic efficacy and cytotoxicity of alpha and beta emitters for Radioimmunotherapy (RIT). For each stage of cancer development, specific models were built for the separate objectives of RIT to be addressed:a) kill isolated cancer cells in transit in the lymphatic and vascular circulation,b) regress avascular cell clusters,c) regress tumor vasculature and tumors. Methods: Because of the nature of short range, high LET alpha and long energy beta radiation and heterogeneous antigen expression among cancer cells, the microdosimetric approach is essential for the RIT assessment. Geant4 based microdosimetric models are developed for the three different stages of cancer progression: cancer cells, cell clusters and tumors. The energy deposition, specific energy resulted from different source distribution in the three models was calculated separately for 4 alpha emitting radioisotopes ({sup 211}At, {sup 213}Bi, {sup 223}Ra and {sup 225}Ac) and 6 beta emitters ({sup 32}P, {sup 33}P, {sup 67}Cu, {sup 90}Y, {sup 131}I and {sup 177}Lu). The cell survival, therapeutic efficacy and cytotoxicity are determined and compared between alpha and beta emitters. Results: We show that internal targeted alpha radiation has advantages over beta radiation for killing isolated cancer cells, regressing small cell clusters and also solid tumors. Alpha particles have much higher dose specificity and potency than beta particles. They can deposit 3 logs more dose than beta emitters to single cells and solid tumor. Tumor control probability relies on deep penetration of radioisotopes to cancer cell clusters and solid tumors. Conclusion: The results of this study provide a quantitative understanding of the efficacy and cytotoxicity of RIT for each stage of cancer development.

  13. Growth and defect structure of CdF{sub 2} crystal and nonstoichiometric Cd{sub 1-x}R{sub x}F{sub 2+x} phases (R are rare earth elements and in): 6. Growth and ionic conductivity of Cd{sub 0.904}In{sub 0.096}F{sub 2.096} single crystal

    SciTech Connect (OSTI)

    Sorokin, N. I. Sul'yanova, E. A.; Buchinskaya, I. I.; Artyukhov, A. A.; Sobolev, B. P.

    2013-07-15

    Cd{sub 0.904}In{sub 0.096}F{sub 2.096} crystals with fluorite-type defect structures have been grown from melt in a fluorinating atmosphere by the Bridgman method, and their ionic conductivity is investigated. The fluorine-ion transport activation enthalpy in Cd{sub 0.904}In{sub 0.096}F{sub 2.096} ({Delta}H = 0.68 eV) is much smaller than the corresponding characteristic of the crystals belonging to the isoconcentration series Cd{sub 0.9}R{sub 0.1}F{sub 2.1}, R = La-Lu, Y ({Delta}H = 0.8-0.9 eV). The ionic conductivity of Cd{sub 0.904}In{sub 0.096}F{sub 2.096} is {sigma} = 2 Multiplication-Sign 10{sup -4} S/cm (at 467 K); this value exceeds the conductivity of the CdF{sub 2} crystal matrix and the highest conductivity Cd{sub 0.9}R{sub 0.1}F{sub 2.1} crystals with rare earth elements by factors of 3 Multiplication-Sign 10{sup 3} and {approx}10, respectively. Nonstoichiometric crystals of solid electrolyte Cd{sub 1-x}In{sub x}F{sub 2+x} have the highest conductivity out of all studied electrolytes based on the CdF{sub 2} matrix.

  14. Synthesis of metastable rare-earth-iron mixed oxide with the hexagonal crystal structure

    SciTech Connect (OSTI)

    Nishimura, Tatsuya; Hosokawa, Saburo; Masuda, Yuichi; Wada, Kenji; Inoue, Masashi

    2013-01-15

    Rare-earth-iron mixed oxides with the rare earth/iron ratio=1 have either orthorhombic (o-REFeO{sub 3}) or hexagonal (h-REFeO{sub 3}) structure. h-REFeO{sub 3} is a metastable phase and the synthesis of h-REFeO{sub 3} is usually difficult. In this work, the crystallization process of the precursors obtained by co-precipitation and Pechini methods was investigated in detail to synthesize h-REFeO{sub 3}. It was found that the crystallization from amorphous to hexagonal phase and the phase transition from hexagonal to orthorhombic phase occurred at a similar temperature range for rare earth elements with small ionic radii (Er-Lu, Y). For both co-precipitation and Pechini methods, single-phase h-REFeO{sub 3} was obtained by shortening the heating time during calcination process. The hexagonal-to-orthorhombic phase transition took place by a nucleation growth mechanism and vermicular morphology of the thus-formed orthorhombic phase was observed. The hexagonal YbFeO{sub 3} had higher catalytic activity for C{sub 3}H{sub 8} combustion than orthorhombic YbFeO{sub 3}. - Graphical abstract: Although the synthesis of metastable hexagonal REFeO{sub 3} by the conventional method is difficult, we found that this phase is obtained by shortening the heating time of the precursor prepared by co-precipitation method. Highlights: Black-Right-Pointing-Pointer Synthesis of metastable REFeO{sub 3} with hexagonal structure by the co-precipitation method. Black-Right-Pointing-Pointer Hexagonal REFeO{sub 3} is obtained for the rare earth elements with small ionic radii. Black-Right-Pointing-Pointer Hexagonal-to-orthorhombic transformation of REFeO{sub 3}. Black-Right-Pointing-Pointer Catalytic activity of hexagonal REFeO{sub 3} for C{sub 3}H{sub 8} combustion.

  15. Precipitation and Deposition of Aluminum-Containing Phases in Tank Wastes

    SciTech Connect (OSTI)

    Dabbs, Daniel M.; Aksay, I.A.

    2005-12-01

    In the first phase of our study, we focused on the use of simple organics to raise the solubility of aluminum oxyhydroxides in high alkaline aqueous solvents. In a limited survey of common organic acids, we determined that citric acid had the highest potential to achieve our goal. However, our subsequent investigation revealed that the citric acid appeared to play two roles in the solutions: first, raising the concentration of aluminum in highly alkaline solutions by breaking up or inhibiting ''seed'' polycations and thereby delaying the nucleation and growth of particles; and second, stabilizing nanometer-sized particles in suspension when nucleation did occur. The results of this work were recently published in Langmuir: D.M. Dabbs, U. Ramachandran, S. Lu, J. Liu, L.-Q. Wang, I.A. Aksay, ''Inhibition of Aluminum Oxyhydroxide Precipitation with Citric Acid'' Langmuir, 21, 11690-11695 (2005). The second phase of our work involved the solvation of silicon, again in solutions of high alkalinity. Citric acid, due to its unfavorable pKa values, was not expected to be useful with silicon-containing solutions. Here, the use of polyols was determined to be effective in maintaining silicon-containing particles under high pH conditions but at smaller size with respect to standard suspensions of silicon-containing particles. There were a number of difficulties working with highly alkaline silicon-containing solutions, particularly in solutions at or near the saturation limit. Small deviations in pH resulted in particle formation or dissolution in the absence of the organic agents. One of the more significant observations was that the polyols appeared to stabilize small particles of silicon oxyhydroxides across a wider range of pH, albeit this was difficult to quantify due to the instability of the solutions.

  16. Marble Canyon 1/sup 0/ x 2/sup 0/ NTMS area Arizona: data report

    SciTech Connect (OSTI)

    Heffner, J.D.

    1980-07-01

    Results of ground water and stream/surface sediment reconnaissance (HSSR) in the National Topographic Map Series (NTMS) Marble Canyon 1/sup 0/ x 2/sup 0/ quadrangle are presented. The target sampling density for all media collected was one site per 12 square kilometers. This resulted in 884 sediment samples being collected; however, dry conditions and sparse population resulted in the collection of only 2 ground water samples. Grand Canyon National Park, Glen Canyon National Recreation Area, and much Indian tribal land in the southern half of the quadrangle were not sampled. Neutron activation analysis (NAA) results are given for uranium and 16 other elements in sediments, and for uranium and 9 other elements in ground water. Mass spectrometry results are given for helium in ground water. Field measurements for sediment samples are presented in tables and maps. Statistical summaries of data and a brief description of results are given. A generalized geologic map and a summary of the geology of the area are included. Data from ground water include: water chemistry measurements (pH, conductivity, and alkalinity); physical measurements (water temperature, and scintillometer readings); and elemental analyses (U, Al, Br, Cl, Dy, F, He, Mg, Mn, Na, and V). Data from sediment sites include: water chemistry measurements (where available) for pH, conductivity, and alkalinity; and elemental analyses(U, Th, Hf, Al, Ce, Dy, Eu, Fe, La, Lu, Mn, Sc, Sm, Na, Ti, V, and Yb). Sample site descriptors (stream characteristics, vegetation, etc.) are also tabulated. Histograms, cumulative frequency, and areal distribution plots for most elements; Log U/Th, Log U/Hf, and Log U/(Th + Hf) ratios; and scintillometer readings are included.

  17. 2d PDE Linear Asymmetric Matrix Solver

    Energy Science and Technology Software Center (OSTI)

    1983-10-01

    ILUCG2 (Incomplete LU factorized Conjugate Gradient algorithm for 2d problems) was developed to solve a linear asymmetric matrix system arising from a 9-point discretization of two-dimensional elliptic and parabolic partial differential equations found in plasma physics applications, such as plasma diffusion, equilibria, and phase space transport (Fokker-Planck equation) problems. These equations share the common feature of being stiff and requiring implicit solution techniques. When these parabolic or elliptic PDE''s are discretized with finite-difference or finite-elementmore » methods, the resulting matrix system is frequently of block-tridiagonal form. To use ILUCG2, the discretization of the two-dimensional partial differential equation and its boundary conditions must result in a block-tridiagonal supermatrix composed of elementary tridiagonal matrices. A generalization of the incomplete Cholesky conjugate gradient algorithm is used to solve the matrix equation. Loops are arranged to vectorize on the Cray1 with the CFT compiler, wherever possible. Recursive loops, which cannot be vectorized, are written for optimum scalar speed. For problems having a symmetric matrix ICCG2 should be used since it runs up to four times faster and uses approximately 30% less storage. Similar methods in three dimensions are available in ICCG3 and ILUCG3. A general source, containing extensions and macros, which must be processed by a pre-compiler to obtain the standard FORTRAN source, is provided along with the standard FORTRAN source because it is believed to be more readable. The pre-compiler is not included, but pre-compilation may be performed by a text editor as described in the UCRL-88746 Preprint.« less

  18. Luminescent lanthanide coordination polymers synthesized via in-situ hydrolysis of dimethyl-3,4-furandicarboxylate

    SciTech Connect (OSTI)

    Greig, Natalie E.; Einkauf, Jeffrey D.; Clark, Jessica M.; Corcoran, Eric J.; Karram, Joseph P.; Kent, Charles A.; Eugene, Vadine E.; Chan, Benny C.; Lill, Daniel T. de

    2015-05-15

    Dimethyl-3,4-furandicarboxylate undergoes hydrolysis under hydrothermal conditions with lanthanide (Ln) ions to form two-dimensional coordination polymers, [Ln(C{sub 6}H{sub 2}O{sub 5})(C{sub 6}H{sub 3}O{sub 5})(H{sub 2}O)]{sub n} (Ln=Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu). The resulting materials exhibit luminescent properties with quantum yields and lifetimes for the Eu(III) and Tb(III) compounds of 1.1±0.3% and 0.387±0.0001 ms, and 3.3±0.8% and 0.769±0.006 ms, respectively. Energy values for the singlet and triplet states were determined for dimethyl-3,4-furandicarboxylate and 3,4-furandicarboxylic acid. Excited state dynamics and structural features are examined to explicate the reported quantum yields. A series of other FDC structures is briefly presented. - Graphical abstract: A new two-dimensional coordination polymer derived from the in-situ hydrolysis of a furan dimethyl ester with lanthanide(III) ions was obtained in order to study its photophysical behavior when constructed from trivalent Eu and Tb. Quantum yields, lifetime measurements, and singlet/triplet state energies values were obtained. The nature of the material's excited state dynamics is examined and correlated to its structure in order to explain the overall luminescent efficiency of the system. - Highlights: • A new lanthanide–furandicarboxylate coordination polymer is presented. • Eu and Tb compounds display luminescent properties, albeit with low quantum yields. • Photophysical behavior explained through the compound's triplet state and structure. • Nonradiative deactivation of luminescence through high-energy oscillators was noted. • Molecular modeling of the organic moiety was conducted.

  19. Synthesis and structure of [Ce{sub 2}(H{sub 2}O){sub 3}](C{sub 2}O{sub 4}){sub 2.5}(H{sub 3}C{sub 2}O{sub 3}) and Ce{sub 2}(C{sub 2}O{sub 4})(H{sub 3}C{sub 2}O{sub 3}){sub 4}: The latter structure presents an interesting new framework, with 2-fold interpenetration

    SciTech Connect (OSTI)

    Trombe, J.C.

    2005-04-15

    Single crystals of two cerium complexes, with mixed-ligands oxalate and glycolate, have been prepared in a closed system, at 200{sup o}C for one month: [Ce{sub 2}(H{sub 2}O){sub 3}](C{sub 2}O{sub 4}){sub 2.5}(H{sub 3}C{sub 2}O{sub 3}) 1 and Ce{sub 2}(C{sub 2}O{sub 4})(H{sub 3}C{sub 2}O{sub 3}){sub 4}2. 1 crystallizes in the orthorhombic system, space group Pbca, with a=13.0090(13)A, b=10.3870(8)A, and a=22.102(3)A while 2 crystallizes in the tetragonal system, space group P4{sub 2}/nbc, with a=11.7030(4)A, c=13.2570(2)A. For both complexes, the three-dimensional framework structure is built up by the linkages of the cerium and all the oxygen atoms of oxalate and glycolate ligands. For 2, its structure presents a nice case of two 3D identical sub-lattices, with 2-fold interpenetration. The only link between these two sub-lattices is assumed by strong hydrogen bonds between the hydroxyl function of the glycolate and the oxygen atoms of the oxalate. The schematized framework of 2, including only the cerium atoms, can be compared to that of cooperite (PtS). For 1, the two independent cerium have 9- or 10-fold coordination, forming a distorted monocapped or bicapped square antiprism polyhedron while for 2, the two independent cerium present 8-fold coordination, forming an almost regular dodecahedron. A quite relevant feature of 2 is the complete absence of water. 2 has been extended to other lanthanides (Ln=Ce...Lu, yttrium included) leading to a family, which has been characterized by infra-red and thermal analysis.

  20. Synthesis, structure and spectroscopic properties of complexes of rare earth dithiocarbamates with 2,2{prime}-bipyridyl or 1, 10-phenanthroline

    SciTech Connect (OSTI)

    Chengyong Su; Minyu Tan; Ning Tang; Xinmin Gan; Weisheng Liu

    1996-05-01

    Two series of rare earth complexes with the general formula [RE(Me{sub 2}Dtc){sub 3}](RE = La,Pr,Nd,Sm-Yb, Y;Me{sub 2}Dtc = N,N-dimethyldithiocarbamate; bipy = 2,2{prime}-bipyridyl) and [RE(Et{sub 2-}Dtc){sub 3}(phen)](RE = La,Pr,Nd,Sm-Lu, Y;Et{sub 2}Dtc = N,N-diethyldithiocarbamate; phen = 1, 10-phenanthroline) have been prepared and some of their chemical properties, IR spectra, electronic spectra and conductivity properties are reported. The structures of [Eu(Me{sub 2}Dtc){sub 3}(bipy)] and [Eu(Et{sub 2}Dtc){sub 3}(phen)] have been determined by single-crystal X-ray diffraction methods. [Eu(Et{sub 2}Dtc){sub 3}(phen)] crystallizes in the tetragonal system, space group I4{sub 1}/a with a = 16.753(1), c = 39.523 (3) {angstrom} and Z = 16, while [Eu(Et{sub 2}Dtc){sub 3}(phen)]crystallizes in the monoclinic system, space group P2{sub 1}/c with a = 17.029(3), b = 10.652(3), c = 18.726(3) {angstrom}, {beta} = 96.41(4){degrees} and Z = 4. The central Eu(III) atoms are both octa-coordinated and in a distorted square antiprismatic geometry, each being coordinated to six sulphur atoms of three bidentate dithiocarbamates and to two nitrogen atoms of bipy or phen ligands. Spectrum analyses indicate that both Me{sub 2}Dtc and Et{sub 2}Dtc show similar coordination structures in all complexes.