National Library of Energy BETA

Sample records for material substitution ii

  1. Developing Substitutes | Critical Materials Institute

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

    Substitutes diagram for focus area 2, developing substitutes (A click on the org chart image will lead to a pdf version that includes hotlinks for the e-mail addresses of the...

  2. LEAD SUBSTITUTION AND ELIMINATION STUDY, PART II

    SciTech Connect (OSTI)

    T. MARTINEZ; M. COURNOYER

    2001-01-01

    Within the Nuclear Materials Technology Division of Los Alamos National Laboratory, lead is used as shielding for a variety of operations, including actinide chemistry, weapons production, radiochemistry, and analytical chemistry. In this study, waste minimization issues associated with replacing lead shielding with non-hazardous materials are addressed. These include institutional program available to support this effort, the hazards and accompanying controls grouped with lead shielding, operations that use lead bricks and how this effects the selection of the substitute. Life cycle management issues are also examined. As a final step, an approach to get buy-in from both technical and budget minded employees is presented.

  3. PARS II Training Materials

    Broader source: Energy.gov [DOE]

    PARS II presentation hand-outs and step-by-step "how to" exercises for each course are available for download. Users who are attending Web classes should download these documents prior to attending...

  4. FA 2: Developing Substitutes | Critical Materials Institute

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

    2: Developing Substitutes Focus Area 2 - Schwatrz, Sales U.S. Rare Earth Magnet Patents Table pdf file August 29, 2016 File: Publication Year: 2016 Read more about U.S. Rare Earth Magnet Patents Table pdf file August 29, 2016 U.S. Rare Earth Magnet Patents Table pdf file August 8, 2016 File: Publication Year: 2016 Read more about U.S. Rare Earth Magnet Patents Table pdf file August 8, 2016 U.S. Rare Earth Magnet Patents Table pdf file June 2016 File: Publication Year: 2016 Read more about U.S.

  5. Impacts of Vehicle Weight Reduction via Material Substitution on Life-Cycle Greenhouse Gas Emissions

    SciTech Connect (OSTI)

    Kelly, Jarod C.; Sullivan, John L.; Burnham, Andrew; Elgowainy, Amgad

    2015-10-20

    This study examines the vehicle-cycle impacts associated with substituting lightweight materials for those currently found in light-duty passenger vehicles. We determine part-based energy use and greenhouse gas (GHG) emission ratios by collecting material substitution data from both the literature and automotive experts and evaluating that alongside known mass-based energy use and GHG emission ratios associated with material pair substitutions. Several vehicle parts, along with full vehicle systems, are examined for lightweighting via material substitution to observe the associated impact on GHG emissions. Results are contextualized by additionally examining fuel-cycle GHG reductions associated with mass reductions relative to the baseline vehicle during the use phase and also determining material pair breakeven driving distances for GHG emissions. The findings show that, while material substitution is useful in reducing vehicle weight, it often increases vehicle-cycle GHGs depending upon the material substitution pair. However, for a vehicle’s total life cycle, fuel economy benefits are greater than the increased burdens associated with the vehicle manufacturing cycle, resulting in a net total life-cycle GHG benefit. The vehicle cycle will become increasingly important in total vehicle life-cycle GHGs, since fuel-cycle GHGs will be gradually reduced as automakers ramp up vehicle efficiency to meet fuel economy standards.

  6. Managing Category I and II Asbestos-Containing Materials During

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

    Decontamination and Demolition | Department of Energy Managing Category I and II Asbestos-Containing Materials During Decontamination and Demolition Managing Category I and II Asbestos-Containing Materials During Decontamination and Demolition August 2009 Presenter: Robert Devol, Bechtel Jacobs Company, LLC Track 3-6 Topics Covered: ETTP Remaining Facilities D&D Project K-1320 K-1035 Regulations EPA Category I and II Materials Practical Application Controls Advantages to Approach

  7. Managing Category I and II Asbestos-Containing Materials During...

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

    Managing Category I and II Asbestos-Containing Materials During Decontamination and Demolition August 2009 Presenter: Robert Devol, Bechtel Jacobs Company, LLC Track 3-6 Topics ...

  8. PARS II Training Materials | Department of Energy

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

    attachments, and running standard, pre-built reports. PARS 102 Presentation PARS 102 Workbook PARS 103 - Updating Projects and Reporting Introduction to PARS II, finding and...

  9. Method for the delignification of lignocellulosic material by adding a dialkyl substituted octahydroanthraquinone

    DOE Patents [OSTI]

    Dimmel, Donald R.

    2000-01-01

    The present invention provides a method for the synthesis of substituted octahydroanthraquinones and substituted anthraquinones which are effective for pulping of lignocellulosics.

  10. Final Report - Low Cost, Epitaxial Growth of II-VI Materials...

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

    Low Cost, Epitaxial Growth of II-VI Materials for Multijunction Photovoltaic Cells Final Report - Low Cost, Epitaxial Growth of II-VI Materials for Multijunction Photovoltaic Cells ...

  11. Technical evaluation of topsoil substitution practices and handling of potential acid/toxic-forming materials in Texas. Special study report

    SciTech Connect (OSTI)

    Not Available

    1985-09-01

    The Texas State program approved by the Office of Surface Mining (OSM) under the Surface Mining Control and Reclamation Act of 1977 (SMCRA) allows that selected overburden materials may, if justified, be substituted for topsoil in mined land reclamation. The report presents the Office of Surface Mining Reclamation and Enforcement's (OSM's) findings regarding the practice of topsoil substitution under the approved Texas program and related reclamation problems with potential minesoil acidification. The purpose of the study was not to determine whether the substitution of overburden for topsoil should be approved or disapproved on any specific mine or soil series in Texas. The report presents a summary of pertinent technical considerations that need to be addressed in permit approvals for surface coal mines which (1) may encounter potentially acid/toxic-forming materials during mining or (2) intend to substitute overburden for topsoil as a plant growth material. The report summarizes the results of a special study OSM conducted to evaluate the technical basis and justification for reclamation plans and the substitution of overburden for topsoil as a plant growth material suitable for the reclamation of coal mines.

  12. Materials

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

    Materials Materials Access to Hopper Phase II (Cray XE6) If you are a current NERSC user, you are enabled to use Hopper Phase II. Use your SSH client to connect to Hopper II:...

  13. Effect of substitutional defects on Kambersky damping in L1{sub 0} magnetic materials

    SciTech Connect (OSTI)

    Qu, T.; Victora, R. H.

    2015-02-16

    Kambersky damping, representing the loss of magnetic energy from the electrons to the lattice through the spin orbit interaction, is calculated for L1{sub 0} FePt, FePd, CoPt, and CoPd alloys versus chemical degree of order. When more substitutional defects exist in the alloys, damping is predicted to increase due to the increase of the spin-flip channels allowed by the broken symmetry. It is demonstrated that this corresponds to an enhanced density of states (DOS) at the Fermi level, owing to the rounding of the DOS with loss of long-range order. Both the damping and the DOS of the Co-based alloy are found to be less affected by the disorder. Pd-based alloys are predicted to have lower damping than Pt-based alloys, making them more suitable for high density spintronic applications.

  14. Multi-Material Lightweight Vehicles: Mach-II Design Tim Skszek...

    Energy Savers [EERE]

    June, 17, 2014 Multi-Material Lightweight Vehicles: Mach-II Design Tim Skszek, Jeff ... Relevance Project Objectives 1. Design and build Mach-I prototype vehicles, ...

  15. American Material Culture: Investigating a World War II Trash Dump

    SciTech Connect (OSTI)

    Julie Braun

    2005-10-01

    The Idaho National Laboratory: An Historical Trash Trove Historians and archaeologists love trash, the older the better. Sometimes these researchers find their passion in unexpected places. In this presentation, the treasures found in a large historic dump that lies relatively untouched in the middle of the Idaho National Laboratory (INL) will be described. The U.S. military used the central portion of the INL as one of only six naval proving grounds during World War II. They dumped trash in dry irrigation canals during and after their wartime activities and shortly before the federal government designated this arid and desolate place as the nations nuclear reactor testing station in 1949. When read critically and combined with memories and photographs, the 60-year old trash provides a glimpse into 1940s culture and the everyday lives of ordinary people who lived and worked during this time on Idahos desert. Thanks to priceless stories, hours of research, and the ability to read the language of historic artifacts, the dump was turned from just another trash heap into a treasure trove of 1940s memorabilia. Such studies of American material culture serve to fire our imaginations, enrich our understanding of past practices, and humanize history. Historical archaeology provides opportunities to integrate inanimate objects with animated narrative and, the more recent the artifacts, the more human the stories they can tell.

  16. American Material Culture: Investigating a World War II Trash Dump

    SciTech Connect (OSTI)

    Julie Braun

    2005-10-01

    The Idaho National Laboratory: An Historical Trash Trove Historians and archaeologists love trash, the older the better. Sometimes these researchers find their passion in unexpected places. In this presentation, the treasures found in a large historic dump that lies relatively untouched in the middle of the Idaho National Laboratory (INL) will be described. The U.S. military used the central portion of the INL as one of only six naval proving grounds during World War II. They dumped trash in dry irrigation canals during and after their wartime activities and shortly before the federal government designated this arid and desolate place as the nation’s nuclear reactor testing station in 1949. When read critically and combined with memories and photographs, the 60-year old trash provides a glimpse into 1940s’ culture and the everyday lives of ordinary people who lived and worked during this time on Idaho’s desert. Thanks to priceless stories, hours of research, and the ability to read the language of historic artifacts, the dump was turned from just another trash heap into a treasure trove of 1940s memorabilia. Such studies of American material culture serve to fire our imaginations, enrich our understanding of past practices, and humanize history. Historical archaeology provides opportunities to integrate inanimate objects with animated narrative and, the more recent the artifacts, the more human the stories they can tell.

  17. Solvent substitution

    SciTech Connect (OSTI)

    Not Available

    1990-01-01

    The DOE Environmental Restoration and Waste Management Office of Technology Development and the Air Force Engineering and Services Center convened the First Annual International Workshop on Solvent Substitution on December 4--7, 1990. The primary objectives of this joint effort were to share information and ideas among attendees in order to enhance the development and implementation of required new technologies for the elimination of pollutants associated with industrial use of hazardous and toxic solvents; and to aid in accelerating collaborative efforts and technology transfer between government and industry for solvent substitution. There were workshop sessions focusing on Alternative Technologies, Alternative Solvents, Recovery/Recycling, Low VOC Materials and Treatment for Environmentally Safe Disposal. The 35 invited papers presented covered a wide range of solvent substitution activities including: hardware and weapons production and maintenance, paint stripping, coating applications, printed circuit boards, metal cleaning, metal finishing, manufacturing, compliance monitoring and process control monitoring. This publication includes the majority of these presentations. In addition, in order to further facilitate information exchange and technology transfer, the US Air Force and DOE solicited additional papers under a general Call for Papers.'' These papers, which underwent review and final selection by a peer review committee, are also included in this combined Proceedings/Compendium. For those involved in handling, using or managing hazardous and toxic solvents, this document should prove to be a valuable resource, providing the most up-to-date information on current technologies and practices in solvent substitution. Individual papers are abstracted separated.

  18. Theoretical and Computational Studies of Rare Earth Substitutes: A Test-bed for Accelerated Materials Development

    SciTech Connect (OSTI)

    Benedict, Lorin X.

    2015-10-26

    Hard permanent magnets in wide use typically involve expensive Rare Earth elements. In this effort, we investigated candidate permanent magnet materials which contain no Rare Earths, while simultaneously exploring improvements in theoretical methodology which enable the better prediction of magnetic properties relevant for the future design and optimization of permanent magnets. This included a detailed study of magnetocrystalline anisotropy energies, and the use of advanced simulation tools to better describe magnetic properties at elevated temperatures.

  19. Alkyl group substitution by oxime-bound palladium(II) (the Shaw reaction): Alkly group selectivity and deuterium isotope effects

    SciTech Connect (OSTI)

    Wells, A.P.; Kitching, W.

    1992-08-01

    This report provides information regarding the selectivity of alkyl groups and the nature of the transition state for C-H palladation by oxime-bound palladium(II) (the Shaw reaction). The kinetic deuterium isotope effects are also presented. 21 refs.

  20. Tetra-methyl substituted copper (II) phthalocyanine as a hole injection enhancer in organic light-emitting diodes

    SciTech Connect (OSTI)

    Wang, Yu-Long; Xu, Jia-Ju; Lin, Yi-Wei; Chen, Qian; Shan, Hai-Quan; Xu, Zong-Xiang E-mail: val.roy@cityu.edu.hk; Yan, Yan; Roy, V. A. L. E-mail: val.roy@cityu.edu.hk

    2015-10-15

    We have enhanced hole injection and lifetime in organic light-emitting diodes (OLEDs) by incorporating the isomeric metal phthalocyanine, CuMePc, as a hole injection enhancer. The OLED devices containing CuMePc as a hole injection layer (HIL) exhibited higher luminous efficiency and operational lifetime than those using a CuPc layer and without a HIL. The effect of CuMePc thickness on device performance was investigated. Atomic force microscope (AFM) studies revealed that the thin films were smooth and uniform because the mixture of CuMePc isomers depressed crystallization within the layer. This may have caused the observed enhanced hole injection, indicating that CuMePc is a promising HIL material for highly efficient OLEDs.

  1. Stability and Rate Capability of Al Substituted Lithium-Rich High-Manganese Content Oxide Materials for Li-Ion Batteries

    SciTech Connect (OSTI)

    Li, Zheng; Chernova, Natasha A.; Feng, Jijun; Upreti, Shailesh; Omenya, Fredrick; Whittingham, M. Stanley

    2015-10-15

    The structures, electrochemical properties and thermal stability of Al-substituted lithium-excess oxides, Li{sub 1.2}Ni{sub 0.16} Mn{sub 0.56}Co{sub 0.08-y}Al{sub y}O{sub 2} (y = 0, 0.024, 0.048, 0.08), are reported, and compared to the stoichiometric compounds, LiNi{sub z}Mn{sub z}Co{sub 1-2z}O{sub 2}. A solid solution was found up to at least y = 0.06. Aluminum substitution improves the poor thermal stability while preserving the high energy density of lithium-excess oxides. However, these high manganese compositions are inferior to the lithium stoichiometric materials, LiNi{sub z}Mn{sub z}Co{sub 1-2z}O{sub 2} (z = 0.333, 0.4), in terms of both power and thermal stability.

  2. The EBR-II materials-surveillance program. 4: Results of SURV-4 and SURV-6

    SciTech Connect (OSTI)

    Ruther, W.E.; Hayner, G.O.; Carlson, B.G.; Ebersole, E.R.; Allen, T.R.

    1998-01-01

    In March of 1965, a set of surveillance (SURV) samples was placed in the EBR-II reactor to determine the effect of irradiation, thermal aging, and sodium corrosion on reactor materials. Eight subassemblies were placed into row 12 positions of EBR-II to determine the effect of irradiation at 370 C. Two subassemblies were placed into the primary sodium basket to determine the effect of thermal aging at 370 C. For both the irradiated and thermally aged samples, one half of all samples were exposed to primary system sodium while one half were sealed in capsules with a helium atmosphere. Fifteen different structural materials were tested in the SURV program. In addition to the fifteen types of metal samples, graphite blocks were irradiated in the SURV subassemblies to determine the effect of irradiation on the graphite neutron shield. In this report, the properties of these materials irradiated at 370 C to a total fluence of 2.2 x 10{sup 22} n/cm{sup 2} (over 2,994 days) are compared with those of similar specimens thermally aged at 370 C for 2,994 days in the storage basket of the reactor. The properties analyzed were weight, density, microstructure, hardness, tensile and yield strength, impact strength, and creep.

  3. Novel Solar Energy Conversion Materials by Design of Mn(II) Oxides

    SciTech Connect (OSTI)

    Lany, S.; Peng, H.; Ndione, P.; Zakutayev, A.; Ginley, D. S.

    2013-01-01

    Solar energy conversion materials need to fulfill simultaneously a number of requirements in regard of their band-structure, optical properties, carrier transport, and doping. Despite their desirable chemical properties, e.g., for photo-electrocatalysis, transition-metal oxides usually do not have desirable semiconducting properties. Instead, oxides with open cation d-shells are typically Mott or charge-transfer insulators with notoriously poor transport properties, resulting from large effective electron/hole masses or from carrier self-trapping. Based on the notion that the electronic structure features (p-d interaction) supporting the p-type conductivity in d10 oxides like Cu2O and CuAlO2 occurs in a similar fashion also in the d5 (high-spin) oxides, we recently studied theoretically the band-structure and transport properties of the prototypical binary d5 oxides MnO and Fe2O3 [PRB 85, 201202(R)]. We found that MnO tends to self-trap holes by forming Mn+III, whereas Fe2O3 self-traps electrons by forming Fe+II. However, the self-trapping of holes is suppressed by when Mn is tetrahedrally coordinated, which suggests specific routes to design novel solar conversion materials by considering ternary Mn(II) oxides or oxide alloys. We are presenting theory, synthesis, and initial characterization for these novel energy materials.

  4. The EBR-II materials-surveillance program. 5: Results of SURV-5.

    SciTech Connect (OSTI)

    Ruther, W.E.; Staffon, J.D.; Carlson, B.G.; Allen, T.R.

    1998-01-01

    In March of 1965, a set of surveillance (SURV) samples was placed in the EBR-II reactor to determine the effect of irradiation, thermal aging, and sodium corrosion on reactor materials. Eight subassemblies were placed into row 12 positions of EBR-II to determine the effect of irradiation at 370 C. Two subassemblies were placed into the primary sodium basket to determine the effect of thermal aging at 370 C. One half of all samples were exposed to primary system sodium while one half were sealed in capsules with a helium atmosphere. Fifteen different structural materials were tested in the SURV program. In this work, the properties of these materials irradiated at 370 C to a total fluence of 3.2 {times} 10{sup 22} n/cm{sup 2} were determined. These materials are the fifth set of irradiated subassemblies to be examined as part of the SURV program (SURV-5). The properties analyzed were weight, density, microstructure, hardness, tensile and yield strength, and fracture resistance. Of all the alloys examined in SURV-5, only Berylco-25 showed any significant weight loss. Stainless steel (both 304 and 347) had the largest density decrease, although the density decrease from irradiation for all alloys was less than 0.4 percent. The microstructure of both Berylco-25 and the aluminum-bronze alloy was altered significantly. Iron- and nickel-base alloys showed little change in microstructure. Austenitic steels (304 and 347) harden with irradiation. The hardness of Inconel X750 did not change significantly with irradiation. The ultimate tensile strength of Inconel X750, 304 stainless steel, 420 stainless steel and welded 304 changed little due to a fluence increase from 2.2 {times} 10{sup 22} n/cm{sup 2} (the maximum fluence of the SURV-4 samples) to 3.2 {times} 10{sup 22} n/cm{sup 2}.

  5. Materials Compatibility and Lubricants Research on CFC-refrigerant substitutes. Quarterly MCLR Program technical progress report, July 1--September 30, 1995

    SciTech Connect (OSTI)

    Szymurski, S.R.; Hourahan, G.C.; Godwin, D.S.; Amrane, K.

    1995-10-01

    The Materials Compatibility and Lubricants Research (MCLR) program supports critical research to accelerate the introduction of CFC and HCFC refrigerant substitutes. The MCLR program addresses refrigerant and lubricant properties and materials compatibility. The primary elements of the work include data collection and dissemination, materials compatibility testing, and methods development. This report summarizes the research conducted during the third quarter of calendar year 1995 on the following projects: Thermophysical properties of HCFC alternatives; Compatibility of manufacturing process fluids with HFC refrigerants and ester lubricants; Compatibility of motor materials used in air-conditioning for retrofits with alternative refrigerants and lubricants; Compatibility of lubricant additives with HFC refrigerants and synthetic lubricants; Products of motor burnouts; Accelerated test methods for predicting the life of motor materials exposed to refrigerant-lubricant mixtures; Investigation of flushing and clean-out methods; Investigation into the fractionation of refrigerant blends; Lean flammability limits as a fundamental refrigerant property; Effect of selected contaminants in AC and R equipment; Study of foaming characteristics; Study of lubricant circulation in systems; Evaluation of HFC-245ca for commercial use in low pressure chillers; Infrared analysis of refrigerant mixtures; Refrigerant database; Refrigerant toxicity survey; Thermophysical properties of HFC-32, HFC-123, HCFC-124 and HFC-125; Thermophysical properties of HFC-143a and HFC-152a; Theoretical evaluations of R-22 alternative fluids; Chemical and thermal stability of refrigerant-lubricant mixtures with metals; Miscibility of lubricants with refrigerants; Viscosity, solubility and density measurements of refrigerant-lubricant mixtures; Electrohydrodynamic enhancement of pool and in-tube boiling of alternative refrigerants; Accelerated screening methods; and more.

  6. Utilizing environmental friendly iron as a substitution element in spinel structured cathode materials for safer high energy lithium-ion batteries

    SciTech Connect (OSTI)

    Hu, Enyuan; Bak, Seong -Min; Liu, Yijin; Liu, Jue; Yu, Xiqian; Zhou, Yong -Ning; Zhou, Jigang; Khalifah, Peter; Ariyoshi, Kingo; Nam, Kyung -Wan; Yang, Xiao -Qing

    2015-12-03

    Suppressing oxygen release from lithium ion battery cathodes during heating is a critical issue for the improvement of the battery safety characteristics because oxygen can exothermically react with the flammable electrolyte and cause thermal runaway. Previous studies have shown that oxygen release can be reduced by the migration of transition metal cations from octahedral sites to tetrahedral sites during heating. Such site-preferred migration is determined by the electronic structure of cations. In addition, taking advantage of the unique electronic structure of the environmental friendly Fe, this is selected as substitution element in a high energy density material LiNi0.5Mn1.5O4 to improve the thermal stability. The optimized LiNi0.33Mn1.33Fe0.33O4 material shows significantly improved thermal stability compared with the unsubstituted one, demonstrated by no observed oxygen release at temperatures as high as 500°C. Due to the electrochemical contribution of Fe, the high energy density feature of LiNi0.5Mn1.5O4 is well preserved.

  7. Utilizing environmental friendly iron as a substitution element in spinel structured cathode materials for safer high energy lithium-ion batteries

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

    Hu, Enyuan; Bak, Seong -Min; Liu, Yijin; Liu, Jue; Yu, Xiqian; Zhou, Yong -Ning; Zhou, Jigang; Khalifah, Peter; Ariyoshi, Kingo; Nam, Kyung -Wan; et al

    2015-12-03

    Suppressing oxygen release from lithium ion battery cathodes during heating is a critical issue for the improvement of the battery safety characteristics because oxygen can exothermically react with the flammable electrolyte and cause thermal runaway. Previous studies have shown that oxygen release can be reduced by the migration of transition metal cations from octahedral sites to tetrahedral sites during heating. Such site-preferred migration is determined by the electronic structure of cations. In addition, taking advantage of the unique electronic structure of the environmental friendly Fe, this is selected as substitution element in a high energy density material LiNi0.5Mn1.5O4 to improvemore » the thermal stability. The optimized LiNi0.33Mn1.33Fe0.33O4 material shows significantly improved thermal stability compared with the unsubstituted one, demonstrated by no observed oxygen release at temperatures as high as 500°C. Due to the electrochemical contribution of Fe, the high energy density feature of LiNi0.5Mn1.5O4 is well preserved.« less

  8. II

    Office of Legacy Management (LM)

    ... contaminated materials were surveyed by the Brookhaven Medical Group and shipped off-site. ... Normally, uranium contains 0.711% usU. Uranium in which the 235 isotope concentration has ...

  9. The Impact of Aluminum and Iron Substitution on the Structure and Electrochemistry of Li[Ni0.4Co0.2-yMyMn0.4]O2 Materials

    SciTech Connect (OSTI)

    WIlcox, James D.; Rodriguez, Efrain E.; Doeff, Marca M.

    2009-07-23

    Li[Ni0.4Co0.2-yMyMn0.4]O2 (0<_y<_0.2) (M=Al) and Li[Ni0.4Co0.15Fe0.05Mn0.4]O2 compounds were prepared in order to investigate the effect of replacement of all or part of the cobalt on the structural and electrochemical properties. The impact of substitution on the structure has been examined by both x-ray and neutron diffraction experiments. The incorporation of aluminum has minimal effect on the anti-site defect concentration, but leads to structural changes that affect electrochemical performance. The most important effect is an opening of the lithium slab dimension upon substitution, which results in improved rate performance compared to the parent compound. In contrast, the lithium slab dimension is not affected by iron substitution and no rate enhancement effect is observed. The cycling stability of aluminum containing materials is superior to both the parent material and iron-substituted materials.

  10. Olivines and Substituted Layered Materials

    Broader source: Energy.gov [DOE]

    2011 DOE Hydrogen and Fuel Cells Program, and Vehicle Technologies Program Annual Merit Review and Peer Evaluation

  11. Olivines and Substituted Layered Materials

    Broader source: Energy.gov [DOE]

    2010 DOE Vehicle Technologies and Hydrogen Programs Annual Merit Review and Peer Evaluation Meeting, June 7-11, 2010 -- Washington D.C.

  12. Olivines and Substituted Layered Materials

    Broader source: Energy.gov [DOE]

    2009 DOE Hydrogen Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting, May 18-22, 2009 -- Washington D.C.

  13. Predicting critical temperatures of iron(II) spin crossover materials: Density functional theory plus U approach

    SciTech Connect (OSTI)

    Zhang, Yachao

    2014-12-07

    A first-principles study of critical temperatures (T{sub c}) of spin crossover (SCO) materials requires accurate description of the strongly correlated 3d electrons as well as much computational effort. This task is still a challenge for the widely used local density or generalized gradient approximations (LDA/GGA) and hybrid functionals. One remedy, termed density functional theory plus U (DFT+U) approach, introduces a Hubbard U term to deal with the localized electrons at marginal computational cost, while treats the delocalized electrons with LDA/GGA. Here, we employ the DFT+U approach to investigate the T{sub c} of a pair of iron(II) SCO molecular crystals (α and β phase), where identical constituent molecules are packed in different ways. We first calculate the adiabatic high spin-low spin energy splitting ΔE{sub HL} and molecular vibrational frequencies in both spin states, then obtain the temperature dependent enthalpy and entropy changes (ΔH and ΔS), and finally extract T{sub c} by exploiting the ΔH/T − T and ΔS − T relationships. The results are in agreement with experiment. Analysis of geometries and electronic structures shows that the local ligand field in the α phase is slightly weakened by the H-bondings involving the ligand atoms and the specific crystal packing style. We find that this effect is largely responsible for the difference in T{sub c} of the two phases. This study shows the applicability of the DFT+U approach for predicting T{sub c} of SCO materials, and provides a clear insight into the subtle influence of the crystal packing effects on SCO behavior.

  14. Examining Mechanisms of Groundwater Hg(II) Treatment by Reactive Materials: An EXAFS Study

    SciTech Connect (OSTI)

    Gibson, Blair D.; Ptacek, Carol J.; Lindsay, Matthew B.J.; Blowes, David W.

    2012-02-07

    Laboratory batch experiments were conducted to examine mechanisms of Hg(II) removal by reactive materials proposed for groundwater treatment. These materials included granular iron filings (GIF), 1:1 (w/w) mixtures of metallurgical granular Fe powder + elemental S (MGI+S) and elemental Cu + elemental S (Cu+S), granular activated carbon (GAC), attapulgite clay (ATP), ATP treated with 2-amino-5-thiol-1,3,4-thiadiazole (ATP-a), and ATP treated with 2,5-dimercapto-1,3,4-thiadiazole (ATP-d). Following treatment of simulated groundwater containing 4 mg L{sup -1} Hg for 8 or 16 days, the solution pH values ranged from 6.8 to 8.8 and Eh values ranged from +400 to -400 mV. Large decreases in aqueous Hg concentrations were observed for ATP-d (>99%), GIF (95%), MGI+S (94%), and Cu+S (90%). Treatment of Hg was less effective using ATP (29%), ATP-a (69%), and GAC (78%). Extended X-ray absorption fine structure (EXAFS) spectra of Hg on GIF, MGI+S, and GAC indicated the presence of an Hg-O bond at 2.04-2.07 {angstrom}, suggesting that Hg was bound to GIF corrosion products or to oxygen complexes associated with water sorbed to activated carbon. In contrast, bond lengths ranging from 2.35 to 2.48 {angstrom} were observed for Hg in Cu+S, ATP-a, and ATP-d treatments, suggesting the formation of Hg-S bonds.

  15. Computational insights on crystal structures of the oxygen-evolving complex of photosystem II with either Ca²⁺ or Ca²⁺ substituted by Sr²⁺

    SciTech Connect (OSTI)

    Vogt, Leslie; Ertem, Mehmed Z.; Pal, Rhitankar; Brudvig, Gary W.; Batista, Victor S.

    2015-01-15

    The oxygen-evolving complex of photosystem II can function with either Ca²⁺ or Sr²⁺ as the heterocation, but the reason for differing turnover rates remains unresolved despite reported X-ray crystal structures for both forms. Using quantum mechanics/molecular mechanics (QM/MM) calculations, we optimize structures with each cation in both the resting state (S₁) and in a series of reduced states (S₀, S₋₁, and S-₂). Through comparison with experimental data, we determine that X-ray crystal structures with either Ca²⁺ or Sr²⁺ are most consistent with the S-₂ state, Mn₄[III,III,III,II] with O4 and O5 protonated. As expected, the QM/MM models show that Ca²⁺/Sr²⁺ substitution results in elongation of the heterocation bonds and displaces terminal waters W3 and W4. The optimized structures also show that hydrogen-bonded W5 is displaced in all S states with Sr²⁺ as the heterocation, suggesting that this water may play a critical role during water oxidation.

  16. Evaluation of H2 Getter Materials for Use in the TRUPACT-II

    SciTech Connect (OSTI)

    Livingston, R.R.

    1999-11-15

    Savannah River Site (SRS) has many waste drums containing Pu-238 that exceed the currently allowed wattage for transportation in the Transuranic Package Transporter-II (TRUPACT-II). By eliminating layers of confinement in waste drums and using getters to remove hydrogen gas, the TRUPACT-II waste loading can be increased significantly, with the potential of reaching the package''s 40-watt thermal limit. The cost savings associated with increasing the waste loading are enormous, and can be measured by reduced numbers of shipments, required processing facilities, and years of effort. To support the decision-making process and provide a good starting point for future development efforts at SRTC, the design requirements for a getter system to be used in the TRUPACT-II were compiled and are discussed in detail in the Appendix.

  17. Electrode Materials with the Na0.44MnO2 Structure: Effect ofTitanium Substitution on Physical and Electrochemical Properties

    SciTech Connect (OSTI)

    Doeff, Marca M; Saint, Juliette A.; Doeff, Marca M; Wilcox, James D.

    2008-03-10

    The physical and electrochemical properties of LixMnO2 and LixTi0.11Mn0.89O2 synthesized from precursors made by glycine-nitrate combustion (GNC) and solid-state synthesis methods (SS) are examined in this paper. The highest specific capacities in lithium cells are obtained for SS-LixMnO2 electrodes at low current densities, but GNC-LixTi0.11Mn0.89O2 electrodes show the best high rate performance. These results can be explained by changes in the voltage characteristics and differences in the particle morphologies induced by the Ti-substitution and synthesis method. Ti-substitution also results in a decrease in the electronic conductivity, but greatly improves the thermal properties and imparts dissolution resistance to the electrode. For these reasons, it is preferable to use LixTi0.11MnO0.89O2 in lithium battery configurations rather than LixMnO2. Suggestions for improving the electrochemical performance of the Ti-substituted variant are given based on the results described herein.

  18. INFORMATION: Inspection Report on "Removal of Categories I and II Special Nuclear Material from Sandia National Laboratories-New Mexico"

    SciTech Connect (OSTI)

    2010-01-01

    The Department of Energy's (DOE's) Sandia National Laboratories-New Mexico (Sandia) develops science-based technologies in support of national security in areas such as nuclear weapons, nonproliferation, military technologies, and homeland security. Sandia's primary mission is ensuring that the U.S. nuclear arsenal is safe, secure, and reliable and can fully support the Nation's deterrence policy. Part of this mission includes systems engineering of nuclear weapons; research, design, and development of non-nuclear components; manufacturing of non-nuclear weapons components; the provision of safety, security, and reliability assessments of stockpile weapons; and the conduct of high-explosives research and development and environmental testing. Sandia Corporation, a subsidiary of Lockheed Martin Corporation, operates Sandia for the National Nuclear Security Administration (NNSA). On May 7, 2004, the Secretary announced that the Department would evaluate missions at DOE sites to consolidate Special Nuclear Material (SNM) in the most secure environments possible. The Administrator of the NNSA said that this effort was a key part of an overall plan to transform the nuclear weapons complex into a smaller, safer, more secure, and more efficient national security enterprise. In February 2008, Sandia was the first site to report it had reduced its on-site inventory of nuclear material below 'Categories I and II' levels, which require the highest level of security to protect material such as plutonium and highly enriched uranium. The Office of Inspector General initiated an inspection to determine if Sandia made appropriate adjustments to its security posture in response to the removal of the Categories I and II SNM. We found that Sandia adjusted its security posture in response to the removal of Categories I and II SNM. For example, security posts were closed; unneeded protective force weapons and equipment were excessed from the site; and, Sandia's Site Safeguards and

  19. Battery resource assessment. Subtask II. 5. Battery manufacturing capability recycling of battery materials. Draft final report

    SciTech Connect (OSTI)

    Pemsler, P.

    1981-02-01

    Studies were conducted on the recycling of advanced battery system components for six different battery systems. These include: Nickel/Zinc, Nickel/Iron, Zinc/Chlorine, Zinc/Bromine, Sodium/Sulfur, and Lithium-Aluminum/Iron Sulfide. For each battery system, one or more processes has been developed which would permit recycling of the major or active materials. Each recycle process has been designed to produce a product material which can be used directly as a raw material by the battery manufacturer. Metal recoverabilities are in the range of 93 to 95% for all processes. In each case, capital and operating costs have been developed for a recycling plant which processes 100,000 electric vehicle batteries per year. These costs have been developed based on material and energy balances, equipment lists, factored installation costs, and manpower estimates. In general, there are no technological barriers for recycling in the Nickel/Zinc, Nickel/Iron, Zinc/Chlorine and Zinc/Bromine battery systems. The recycling processes are based on essentially conventional, demonstrate technology. The lead times required to build battery recycling plants based on these processes is comparable to that of any other new plant. The total elapsed time required from inception to plant operation is approximately 3 to 5 y. The recycling process for the sodium/sulfur and lithium-aluminum/sulfide battery systems are not based on conventional technology. In particular, mechanical systems for dismantling these batteries must be developed.

  20. Structural Dimensions, Fabrication, Materials, and Operational History for Types I and II Waste Tanks

    SciTech Connect (OSTI)

    Wiersma, B.J.

    2000-08-16

    Radioactive waste is confined in 48 underground storage tanks at the Savannah River Site. The waste will eventually be processed and transferred to other site facilities for stabilization. Based on waste removal and processing schedules, many of the tanks, including those with flaws and/or defects, will be required to be in service for another 15 to 20 years. Until the waste is removed from storage, transferred, and processed, the materials and structures of the tanks must maintain a confinement function by providing a leak-tight barrier to the environment and by maintaining acceptable structural stability during design basis event which include loading from both normal service and abnormal conditions.

  1. Critical Materials Institute

    ScienceCinema (OSTI)

    Alex King

    2013-06-05

    Ames Laboratory Director Alex King talks about the goals of the Critical Materials Institute in diversifying the supply of critical materials, developing substitute materials, developing tools and techniques for recycling critical materials, and forecasting materials needs to avoid future shortages.

  2. Nucleophilic substitution reaction for post-functionalization of polyoxometalates

    SciTech Connect (OSTI)

    Yin, Panchao; Li, Qiang; Zhang, Jin; Wang, Longsheng; Hao, Jian; Wei, Yongge

    2015-07-06

    In this study, a hexamolybdate-based organic inorganic hybrid molecule containing a chloralkane fragment is synthesized and its Cl atom can be substituted by iodine and nitrate through nucleophilic substitution reactions in high yields, which provide a post-functionalization protocol to bring in various additional functional groups into polyoxometalate-based hybrid materials under mild conditions.

  3. Materials

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

    Materials Materials Understanding and manipulating the most fundamental properties of materials can lead to major breakthroughs in solar power, reactor fuels, optical computing, telecommunications. News Releases Science Briefs Photos Picture of the Week Publications Social Media Videos Fact Sheets Yu Seung Kim (left) and Kwan-Soo Lee (right) New class of fuel cells offer increased flexibility, lower cost A new class of fuel cells based on a newly discovered polymer-based material could bridge

  4. Propulsion Materials

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

    Propulsion Materials FY 2013 Progress Report ii CONTENTS INTRODUCTION ....................................................................................................................................... 1 Project 18516 - Materials for H1ybrid and Electric Drive Systems ...................................................... 4 Agreement 19201 - Non-Rare Earth Magnetic Materials ............................................................................ 4 Agreement 23278 - Low-Cost

  5. Evaluation of a single cell and candidate materials with high water content hydrogen in a generic solid oxide fuel cell stack test fixture, Part II: materials and interface characterization

    SciTech Connect (OSTI)

    Chou, Y. S.; Stevenson, Jeffry W.; Choi, Jung-Pyung

    2013-01-01

    A generic solid oxide fuel cell (SOFC) test fixture was developed to evaluate candidate materials under realistic conditions. A commerical 50 mm x 50 mm NiO-YSZ anode supported thin YSZ electrolyte cell with lanthanum strontium manganite (LSM) cathode was tested to evaluate the stability of candidate materials. The cell was tested in two stages at 800oC: stage I of low (~3% H2O) humidity and stage II of high (~30% H2O) humidity hydrogen fuel at constant voltage or constant current mode. Part I of the work was published earlier with information of the generic test fixture design, materials, cell performance, and optical post-mortem analysis. In part II, detailed microstructure and interfacial characterizations are reported regarding the SOFC candidate materials: (Mn,Co)-spinel conductive coating, alumina coating for sealing area, ferritic stainless steel interconnect, refractory sealing glass, and their interactions with each other. Overall, the (Mn,Co)-spinel coating was very effective in minimizing Cr migration. No Cr was identified in the cathode after 1720h at 800oC. Aluminization of metallic interconnect also proved to be chemically compatible with alkaline-earth silicate sealing glass. The details of interfacial reaction and microstructure development are discussed.

  6. Structural Underpinnings of the Enhanced Cycling Stability upon Al-Substitution in LiNi[subscript 0.45]Mn[subscript 0.45]Co[subscript 0.1?y]Al[subscript y]O[subscript 2] Positive Electrode Materials for Li-ion Batteries

    SciTech Connect (OSTI)

    Conry, Thomas E.; Mehta, Apurva; Cabana, Jordi; Doeff, Marca M.

    2012-10-23

    Single-phase LiNi{sub 0.45}Mn{sub 0.45}Co{sub 0.1-y}Al{sub y}O{sub 2} layered oxide materials with 0 {<=} y {<=} 0.10 were prepared using the glycine-nitrate combustion method. Al-substitution has a minimal effect on the defect concentration and rate capability of the materials, but raises the operating voltage and reduces the capacity fade of the materials during prolonged cycling compared to the unsubstituted system. In situ X-ray diffraction suggests the presence of Al has a significant structural impact during battery operation. It acts to limit the changes in lattice parameters observed during electrochemical charging and cycling of the materials. High-resolution X-ray diffraction reveals structural distortions in the transition metal layers of as-synthesized powders with high Al-contents, as well as a structural evolution seen in all materials after cycling.

  7. Computational insights on crystal structures of the oxygen-evolving complex of photosystem II with either Ca²⁺ or Ca²⁺ substituted by Sr²⁺

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

    Vogt, Leslie; Ertem, Mehmed Z.; Pal, Rhitankar; Brudvig, Gary W.; Batista, Victor S.

    2015-01-15

    The oxygen-evolving complex of photosystem II can function with either Ca²⁺ or Sr²⁺ as the heterocation, but the reason for differing turnover rates remains unresolved despite reported X-ray crystal structures for both forms. Using quantum mechanics/molecular mechanics (QM/MM) calculations, we optimize structures with each cation in both the resting state (S₁) and in a series of reduced states (S₀, S₋₁, and S-₂). Through comparison with experimental data, we determine that X-ray crystal structures with either Ca²⁺ or Sr²⁺ are most consistent with the S-₂ state, Mn₄[III,III,III,II] with O4 and O5 protonated. As expected, the QM/MM models show that Ca²⁺/Sr²⁺ substitutionmore » results in elongation of the heterocation bonds and displaces terminal waters W3 and W4. The optimized structures also show that hydrogen-bonded W5 is displaced in all S states with Sr²⁺ as the heterocation, suggesting that this water may play a critical role during water oxidation.« less

  8. Conductive polymer-based material

    DOE Patents [OSTI]

    McDonald, William F.; Koren, Amy B.; Dourado, Sunil K.; Dulebohn, Joel I.; Hanchar, Robert J.

    2007-04-17

    Disclosed are polymer-based coatings and materials comprising (i) a polymeric composition including a polymer having side chains along a backbone forming the polymer, at least two of the side chains being substituted with a heteroatom selected from oxygen, nitrogen, sulfur, and phosphorus and combinations thereof; and (ii) a plurality of metal species distributed within the polymer. At least a portion of the heteroatoms may form part of a chelation complex with some or all of the metal species. In many embodiments, the metal species are present in a sufficient concentration to provide a conductive material, e.g., as a conductive coating on a substrate. The conductive materials may be useful as the thin film conducting or semi-conducting layers in organic electronic devices such as organic electroluminescent devices and organic thin film transistors.

  9. High-Efficiency, Cost-effective Thermoelectric Materials/Devices for Industrial Process Refrigeration and Waste Heat Recovery, STTR Phase II Final Report

    SciTech Connect (OSTI)

    Lin, Timothy

    2011-01-07

    This is the final report of DoE STTR Phase II project, “High-efficiency, Cost-effective Thermoelectric Materials/Devices for Industrial Process Refrigeration and Waste Heat Recovery”. The objective of this STTR project is to develop a cost-effective processing approach to produce bulk high-performance thermoelectric (TE) nanocomposites, which will enable the development of high-power, high-power-density TE modulus for waste heat recovery and industrial refrigeration. The use of this nanocomposite into TE modules are expected to bring about significant technical benefits in TE systems (e.g. enhanced energy efficiency, smaller sizes and light weight). The successful development and applications of such nanocomposite and the resultant TE modules can lead to reducing energy consumption and environmental impacts, and creating new economic development opportunities.

  10. The Synthesis and Characterization of Substituted Phosphates...

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

    Phosphates and Layered Manganese Oxides The Synthesis and Characterization of Substituted ... More Documents & Publications The Synthesis and Characterization of Substituted Olivines ...

  11. System and method for producing substitute natural gas from coal

    DOE Patents [OSTI]

    Hobbs, Raymond

    2012-08-07

    The present invention provides a system and method for producing substitute natural gas and electricity, while mitigating production of any greenhouse gasses. The system includes a hydrogasification reactor, to form a gas stream including natural gas and a char stream, and an oxygen burner to combust the char material to form carbon oxides. The system also includes an algae farm to convert the carbon oxides to hydrocarbon material and oxygen.

  12. Characterization and Electrochemical Performance of SubstitutedLiNi0.4Co0.2-yAlyMn0.4O2 (0<_y<_0.2) Cathode Materials

    SciTech Connect (OSTI)

    Wilcox, James D.; Doeff, Marca M.

    2007-11-28

    A complete series of LiNi0.4Co0.2-yAlyMn0.4O2 (0<_y<_0.2) materials have been synthesized and investigated as cathode materials for lithium ion batteries. When cycled between 2.0 and 4.3 V vs. Li/Li+ at a current density of 0.1 mA/cm2, stable capacities of ~;;160 mAh/g for y=0 to ~;;110 mAh/g for y=0.2 are achieved. Upon increasing the current density, it is found that all materials containing aluminum show reduced polarization and improved rate performance. The optimal performance at all current densities was found for the compound with y=0.05. The effect of aluminumsubstitution on the crystal structure of the host is discussed.

  13. Emissive polymeric materials for optoelectronic devices

    DOE Patents [OSTI]

    Shiang, Joseph John; Chichak, Kelly Scott; Cella, James Anthony; Lewis, Larry Neil; Janora, Kevin Henry

    2011-07-05

    Polymers including at least one structural unit derived from a compound of formula I or including at least one pendant group of formula II may be used in optoelectronic devices ##STR00001## wherein R.sup.1, R.sup.3, R.sup.4 and R.sup.6 are independently hydrogen, alkyl, alkoxy, oxaalkyl, alkylaryl, aryl, arylalkyl, heteroaryl, substituted alkyl; substituted alkoxy, substituted oxaalkyl, substituted alkylaryl, substituted aryl, substituted arylalkyl, or substituted heteroaryl; R.sup.1a is hydrogen or alkyl; R.sup.2 is alkylene, substituted alkylene, oxaalkylene, CO, or CO.sub.2; R.sup.2a is alkylene; R.sup.5 is independently at each occurrence hydrogen, alkyl, alkylaryl, aryl, arylalkyl, alkoxy, carboxy, substituted alkyl; substituted alkylaryl, substituted aryl, substituted arylalkyl, or substituted alkoxy, X is halo, triflate, --B(OR.sup.1a).sub.2, or ##STR00002## located at the 2, 5- or 2, 7-positions; and L is derived from phenylpyridine, tolylpyridine, benzothienylpyridine, phenylisoquinoline, dibenzoquinozaline, fluorenylpyridine, ketopyrrole, 2-(1-naphthyl)benzoxazole)), 2-phenylbenzoxazole, 2-phenylbenzothiazole, coumarin, thienylpyridine, phenylpyridine, benzothienylpyridine, 3-methoxy-2-phenylpyridine, thienylpyridine, phenylimine, vinylpyridine, pyridylnaphthalene, pyridylpyrrole, pyridylimidazole, phenylindole, derivatives thereof or combinations thereof.

  14. Long-term evaluation of solid oxide fuel cell candidate materials in a 3-cell generic short stack fixture, Part II: sealing glass stability, microstructure and interfacial reactions.

    SciTech Connect (OSTI)

    Chou, Y. S.; Stevenson, Jeffry W.; Choi, Jung-Pyung

    2014-03-15

    A generic solid oxide fuel cell stack test fixture was developed to evaluate candidate materials and processing methods under realistic conditions. Part I of the work addressed the stack fixture, seal system and cell performance of a 3-cell short stack tested at 800oC for 6000h. Commercial NiO-YSZ anode-supported thin YSZ electrolyte cells with LSM cathodes were used for assessment and were tested in constant current mode with dilute (~50% H2) fuel versus air. Part II of the work examined the sealing glass stability, microstructure development, interfacial reactions, and volatility issues. Part III of the work investigated the stability of Ce-(Mn,Co) spinel coating, AISI441 metallic interconnect, alumina coating, and cell degradation. After 6000h of testing, the refractory sealing glass YSO77 (Ba-Sr-Y-B-Si) showed desirable chemical compatibility with YSZ electrolyte in that no discernable interfacial reaction was identified, consistent with thermodynamic calculations. In addition, no glass penetration into the thin electrolyte was observed. At the aluminized AISI441 interface, the protective alumina coating appeared to be corroded by the sealing glass. Air side interactions appeared to be more severe than fuel side interactions. Metal species such as Cr, Mn, and Fe were detected in the glass, but were limited to the vicinity of the interface. No alkaline earth chromates were found at the air side. Volatility was also studied in a similar glass and weight loss in a wet reducing environment was determined. Using the steady-state volatility data, the life time (40,000h) weight loss of refractory sealing glass YSO77 was estimated to be less than 0.1 wt%.

  15. Materials Videos

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

    Materials Videos Materials

  16. Isovalent substitutes play in different ways: Effects of isovalent substitution on the thermoelectric properties of CoSi0.98B0.02

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

    Sun, Hui; Lu, Xu; Morelli, Donald T.

    2016-07-21

    Boron-added CoSi, CoSi0.98B0.02, possesses a very high thermoelectric power factor of 60 μW cm-1 K-2 at room temperature, which is among the highest power factors that have ever been reported for near-room-temperature thermoelectric applications. Since the electrical properties of this material have been tuned properly, isovalent substitution for its host atoms are intentionally employed to reduce the lattice thermal conductivity while maintaining the electronic properties unchanged. In our previous work, the effect of Rh substitution for Co atoms on the thermoelectric properties of CoSi0.98B0.02 has been studied. Here we present a study of the substitution of Ge for Si atomsmore » in this compound. Even though Ge and Rh are isovalent with their corresponding host atoms, they play different roles in determining the electrical and thermal transport properties. Through the evaluation of the lattice thermal conductivity by the Debye approximation and the comparison between the high-temperature Seebeck coefficients, we propose that Rh substitution leads to a further overlapping of the conduction and the valence bands while Ge substitution only shifts the Fermi level upward into the conduction band. Lastly, our results show that the influence of isovalent substitution on the electronic structure cannot be ignored when the alloying method is used to improve thermoelectric properties.« less

  17. Colorado Division of Water Resources Substitute Water Supply...

    Open Energy Info (EERE)

    Substitute Water Supply Plans Webpage Jump to: navigation, search OpenEI Reference LibraryAdd to library Web Site: Colorado Division of Water Resources Substitute Water Supply...

  18. The Synthesis and Characterization of Substituted Olivines and...

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

    Olivines and Layered Manganese Oxides The Synthesis and Characterization of Substituted ... More Documents & Publications The Synthesis and Characterization of Substituted Olivines ...

  19. Energy and process substitution in the frozen-food industry:...

    Office of Scientific and Technical Information (OSTI)

    Energy and process substitution in the frozen-food industry: geothermal energy and the retortable pouch Citation Details In-Document Search Title: Energy and process substitution ...

  20. Department of Energy Releases its 2011 Critical Materials Strategy...

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

    It will help us seize opportunities, using American innovation to find substitutes, promote recycling and help secure supplies of rare earth elements and other materials used in ...

  1. Products having multiple-substituted polysiloxane monolayer

    DOE Patents [OSTI]

    Wirth, M.J.; Fatunmbi, H.O.

    1998-02-10

    A protective monolayer is formed on e.g. silica gel and glass surfaces comprising a monolayer of silicon and oxygen atoms which is substituted with first and second hydrocarbyl substituents.

  2. Concepts and criteria for evaluating topsoil substitutes: The Texas experience

    SciTech Connect (OSTI)

    Askenasy, P.; Senkayi, A.L.; Joseph, W.L.

    1997-12-31

    Presented in this paper are: (1) historical background, (2) Federal and State regulatory basis and authority, and (3) justification for selected criteria and parameters which are currently used to evaluate the quality of topsoil-substitute materials and postmine soils in Texas. The specific parameters and concepts discussed include (1) acid- and toxic-forming materials (AFM and TFM), (2) quantification procedures for AFM and TFM, (3) procedures used to identify topsoil substitutes that are {open_quotes}equal to or more suitable than{close_quotes} existing premine native soils, and (4) current interpretations of what is meant by {open_quotes}the best available material to support revegetation{close_quotes} of surface-mined areas. To support these interpretations, reference is made throughout the paper to relevant sections of the (1) Texas Coal Mining Regulations (TCMR), (2) Surface Mining Control and Reclamation Act (SMCRA), and (3) Federal regulations promulgated by the Office of Surface Mining (OSM) to implement SMCRA. The success of the Texas reclamation program, as indicated by the quality of the reclaimed soils is also discussed. This success is partly attributed to the rigorous application of the quantification concepts and parameters discussed in this paper.

  3. Preparation and characterization of cobalt-substituted anthrax lethal factor

    SciTech Connect (OSTI)

    Saebel, Crystal E.; Carbone, Ryan; Dabous, John R.; Lo, Suet Y. [Department of Chemistry and Biochemistry, Laurentian University, 935 Ramsey Lake Rd., Sudbury, Ontario, Canada P3E 2C6 (Canada)] [Department of Chemistry and Biochemistry, Laurentian University, 935 Ramsey Lake Rd., Sudbury, Ontario, Canada P3E 2C6 (Canada); Siemann, Stefan, E-mail: ssiemann@laurentian.ca [Department of Chemistry and Biochemistry, Laurentian University, 935 Ramsey Lake Rd., Sudbury, Ontario, Canada P3E 2C6 (Canada)] [Department of Chemistry and Biochemistry, Laurentian University, 935 Ramsey Lake Rd., Sudbury, Ontario, Canada P3E 2C6 (Canada)

    2011-12-09

    Highlights: Black-Right-Pointing-Pointer Cobalt-substituted anthrax lethal factor (CoLF) is highly active. Black-Right-Pointing-Pointer CoLF can be prepared by bio-assimilation and direct exchange. Black-Right-Pointing-Pointer Lethal factor binds cobalt tightly. Black-Right-Pointing-Pointer The electronic spectrum of CoLF reveals penta-coordination. Black-Right-Pointing-Pointer Interaction of CoLF with thioglycolic acid follows a 2-step mechanism. -- Abstract: Anthrax lethal factor (LF) is a zinc-dependent endopeptidase involved in the cleavage of mitogen-activated protein kinase kinases near their N-termini. The current report concerns the preparation of cobalt-substituted LF (CoLF) and its characterization by electronic spectroscopy. Two strategies to produce CoLF were explored, including (i) a bio-assimilation approach involving the cultivation of LF-expressing Bacillus megaterium cells in the presence of CoCl{sub 2}, and (ii) direct exchange by treatment of zinc-LF with CoCl{sub 2}. Independent of the method employed, the protein was found to contain one Co{sup 2+} per LF molecule, and was shown to be twice as active as its native zinc counterpart. The electronic spectrum of CoLF suggests the Co{sup 2+} ion to be five-coordinate, an observation similar to that reported for other Co{sup 2+}-substituted gluzincins, but distinct from that documented for the crystal structure of native LF. Furthermore, spectroscopic studies following the exposure of CoLF to thioglycolic acid (TGA) revealed a sequential mechanism of metal removal from LF, which likely involves the formation of an enzyme: Co{sup 2+}:TGA ternary complex prior to demetallation of the active site. CoLF reported herein constitutes the first spectroscopic probe of LF's active site, which may be utilized in future studies to gain further insight into the enzyme's mechanism and inhibitor interactions.

  4. Soiling of building envelope surfaces and its effect on solar reflectance – Part II: Development of an accelerated aging method for roofing materials

    SciTech Connect (OSTI)

    Sleiman, Mohamad; Kirchstetter, Thomas W.; Berdahl, Paul; Gilbert, Haley E.; Quelen, Sarah; Marlot, Lea; Preble, Chelsea V.; Chen, Sharon; Montalbano, Amandine; Rosseler, Olivier; Akbari, Hashem; Levinson, Ronnen; Destaillats, Hugo

    2014-01-09

    Highly reflective roofs can decrease the energy required for building air conditioning, help mitigate the urban heat island effect, and slow global warming. However, these benefits are diminished by soiling and weathering processes that reduce the solar reflectance of most roofing materials. Soiling results from the deposition of atmospheric particulate matter and the growth of microorganisms, each of which absorb sunlight. Weathering of materials occurs with exposure to water, sunlight, and high temperatures. This study developed an accelerated aging method that incorporates features of soiling and weathering. The method sprays a calibrated aqueous soiling mixture of dust minerals, black carbon, humic acid, and salts onto preconditioned coupons of roofing materials, then subjects the soiled coupons to cycles of ultraviolet radiation, heat and water in a commercial weatherometer. Three soiling mixtures were optimized to reproduce the site-specific solar spectral reflectance features of roofing products exposed for 3 years in a hot and humid climate (Miami, Florida); a hot and dry climate (Phoenix, Arizona); and a polluted atmosphere in a temperate climate (Cleveland, Ohio). A fourth mixture was designed to reproduce the three-site average values of solar reflectance and thermal emittance attained after 3 years of natural exposure, which the Cool Roof Rating Council (CRRC) uses to rate roofing products sold in the US. This accelerated aging method was applied to 25 products₋single ply membranes, factory and field applied coatings, tiles, modified bitumen cap sheets, and asphalt shingles₋and reproduced in 3 days the CRRC's 3-year aged values of solar reflectance. In conclusion, this accelerated aging method can be used to speed the evaluation and rating of new cool roofing materials.

  5. Photosystem II

    ScienceCinema (OSTI)

    James Barber

    2010-09-01

    James Barber, Ernst Chain Professor of Biochemistry at Imperial College, London, gives a BSA Distinguished Lecture titled, "The Structure and Function of Photosystem II: The Water-Splitting Enzyme of Photosynthesis."

  6. PARS II

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

    ... September 9, 2010 (V1.1) PARS II 103 Project Updating and Reporting Page 49 4. Click to begin entering funding values. 5. Click + sign to expand detail for OPC, TEC, and UND, if ...

  7. Addendum to material selection guidelines for geothermal energy-utilization systems. Part I. Extension of the field experience data base. Part II. Proceedings of the geothermal engineering and materials (GEM) program conference (San Diego, CA, 6-8 October 1982)

    SciTech Connect (OSTI)

    Smith, C.S.; Ellis, P.F. II

    1983-05-01

    The extension of the field experience data base includes the following: key corrosive species, updated field experiences, corrosion of secondary loop components or geothermal binary power plants, and suitability of conventional water-source heat pump evaporator materials for geothermal heat pump service. Twenty-four conference papers are included. Three were abstracted previously for EDB. Separate abstracts were prepared for twenty-one. (MHR)

  8. Sample-morphology effects on x-ray photoelectron peak intensities. II. Estimation of detection limits for thin-film materials

    SciTech Connect (OSTI)

    Powell, Cedric J.; Werner, Wolfgang S. M.; Smekal, Werner

    2014-09-01

    The authors show that the National Institute of Standards and Technology database for the simulation of electron spectra for surface analysis (SESSA) can be used to determine detection limits for thin-film materials such as a thin film on a substrate or buried at varying depths in another material for common x-ray photoelectron spectroscopy (XPS) measurement conditions. Illustrative simulations were made for a W film on or in a Ru matrix and for a Ru film on or in a W matrix. In the former case, the thickness of a W film at a given depth in the Ru matrix was varied so that the intensity of the W 4d{sub 5/2} peak was essentially the same as that for a homogeneous RuW{sub 0.001} alloy. Similarly, the thickness of a Ru film at a selected depth in the W matrix was varied so that the intensity of the Ru 3p{sub 3/2} peak matched that from a homogeneous WRu{sub 0.01} alloy. These film thicknesses correspond to the detection limits of each minor component for measurement conditions where the detection limits for a homogeneous sample varied between 0.1 at.?% (for the RuW{sub 0.001} alloy) and 1 at.?% (for the WRu{sub 0.01} alloy). SESSA can be similarly used to convert estimates of XPS detection limits for a minor species in a homogeneous solid to the corresponding XPS detection limits for that species as a thin film on or buried in the chosen solid.

  9. National Synchrotron Light Source II (NSLS-II) Project | Department...

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

    National Synchrotron Light Source II (NSLS-II) Project National Synchrotron Light Source II (NSLS-II) Project National Synchrotron Light Source II (NSLS-II) Project Frank ...

  10. CMI Unique Facility: Ferromagnetic Materials Characterization Facility |

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

    Critical Materials Institute Ferromagnetic Materials Characterization Facility The Ferromagnetic Materials Characterization Facility is one of more than a dozen unique facilities developed by the Critical Materials Institute, an Energy Innovation Hub of the U.S. Department of Energy. CMI ferromagnetic materials characterization facility at The Ames Laboratory. In the search for substitute materials to replace rare earths in permanent magnets, whenever promising materials are identified,

  11. Integrated systems approach to pollution prevention: A three-tier substitution strategy

    SciTech Connect (OSTI)

    Ahmed, I.; Cunniff, E.; Patch, J.

    1995-12-01

    Current pollution prevention initiatives are reactive, not proactive. Most federal and state regulations and industry participation in pollution prevention projects focus on post-production cleanup. However, an integrated systems approach to design pollution prevention strategies based on substitution of entire classes of chemicals with bio-based alternatives would significantly enhance the impact of pollution prevention efforts. Industry`s current attempts at pollution prevention efforts primarily rely on recycling, modifying processes to reduce the use of certain chemicals, or substituting a petrochemical not listed on the Toxic Release Inventory (TRI) for one currently listed. Such strategies may not constitute a long term solution to the pollution problem. A more durable and comprehensive strategy is to substitute renewable feedstock derived biochemicals for petrochemicals. The generation of pollution as driven by the consumer end-products industry occurs in three distinct levels; raw materials production (crude oil refining), commodity and intermediate chemicals production, a raw chemicals consumption. This paper suggests a three-tier substitution strategy based on the three levels of materials used in the chemical process industry with a goal of minimizing the pollution impact via substitutions. The substitution potential of each of the three tiers is determined based on the optimum impact criteria applicable to a given produce line or a process. The best existing pollution prevention initiatives should be incorporated in an integrated pollution management system. This system considers and includes long-term solutions to pollution problems faced both by the regulators and the chemical process industry. The role of existing production capacities that continue to produce toxic chemicals as a byproduct and their potential phase-out via biochemical substitution is also discussed.

  12. Amination of electrophilic aromatic compounds by vicarious nucleophilic substitution

    DOE Patents [OSTI]

    Mitchell, Alexander R.; Pagoria, Philip F.; Schmidt, Robert D.

    2000-01-01

    The present invention relates to a process to aminate electrophilic aromatic compounds by vicarious nucleophilic substitution of hydrogen using quaternary hydrazinium salts. The use of trialkylhydrazinium halide, e.g., trimethylhydrazinium iodide, as well as hydroxylamine, alkoxylamines, and 4-amino-1,2,4-triazole to produce aminated aromatic structures, such as 1,3-diamino-2,4,6-trinitrobenzene (DATB), 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) and 3,5-diamino-2,4,6-trinitrotoluene (DATNT), is described. DATB and TATB are useful insensitive high explosives. TATB is also used for the preparation of benzenehexamine, a starting material for the synthesis of novel materials (optical imaging devices, liquid crystals, ferromagnetic compounds).

  13. Using a profiling process to insure program quality: Volume II - support materials. Final progress report, May 15, 1991--November 14, 1996

    SciTech Connect (OSTI)

    Kaser, J.S.; Roody, D.S.; Raizen, S.A.

    1996-11-01

    Between 1990 and 1995 the U.S. Department of Energy (DOE) and the National Center for Improving Science Education (National Center) developed a system for ongoing evaluation of K-12 educational programs in the DOE-supported national energy Laboratories. As part of the formative evaluation component of this collaborative endeavor, field staff in the Laboratories began creating profiles of their programs. However, many individuals within DOE Headquarters were not familiar with this profiling process and were unprepared to use the valuable information that the profiles generated. This manual was produced to orient Headquarters staff to profiling. It focuses on how Headquarters staff can use the profiling process to help their funded programs establish and/or maintain high quality. Its purpose, then, is not to train Headquarters staff to become proficient in profiling, but to show them how to draw on the Laboratories` use of profiling to bring about program improvement. Profiling is the process of systematically examining and describing a program`s elements against a set of components that define Effective Practice. The instrument used to capture the data for analysis is called a template, and most of this manual focuses on the templates and how to read and interpret them. However, since it is important to understand these data in context, the authors also describe what should accompany each template in a complete profiling packet and offer guidelines for reviewing complete packets and providing feedback to program managers. This document consists of Support Materials for the manual: exercise answer keys; templates; guidelines for reviewing templates; a complete profiling packet; guidelines for the trainer.

  14. Impedance spectroscopic characterization of gadolinium substituted cobalt ferrite ceramics

    SciTech Connect (OSTI)

    Rahman, Md. T. Ramana, C. V.

    2014-10-28

    Gadolinium (Gd) substituted cobalt ferrites (CoFe{sub 2−x}Gd{sub x}O{sub 4}, referred to CFGO) with variable Gd content (x = 0.0–0.4) have been synthesized by solid state ceramic method. The crystal structure and impedance properties of CFGO compounds have been evaluated. X-ray diffraction measurements indicate that CFGO crystallize in the inverse spinel phase. The CFGO compounds exhibit lattice expansion due to substitution of larger Gd ions into the crystal lattice. Impedance spectroscopy analysis was performed under a wide range of frequency (f = 20 Hz–1 MHz) and temperature (T = 303–573 K). Electrical properties of Gd incorporated Co ferrite ceramics are enhanced compared to pure CoFe{sub 2}O{sub 4} due to the lattice distortion. Impedance spectroscopic analysis illustrates the variation of bulk grain and grain-boundary contributions towards the electrical resistance and capacitance of CFGO materials with temperature. A two-layer heterogeneous model consisting of moderately conducting grain interior (ferrite-phase) regions separated by insulating grain boundaries (resistive-phase) accurately account for the observed temperature and frequency dependent electrical characteristic of CFGO ceramics.

  15. BORE II

    SciTech Connect (OSTI)

    2015-08-01

    Bore II, co-developed by Berkeley Lab researchers Frank Hale, Chin-Fu Tsang, and Christine Doughty, provides vital information for solving water quality and supply problems and for improving remediation of contaminated sites. Termed "hydrophysical logging," this technology is based on the concept of measuring repeated depth profiles of fluid electric conductivity in a borehole that is pumping. As fluid enters the wellbore, its distinct electric conductivity causes peaks in the conductivity log that grow and migrate upward with time. Analysis of the evolution of the peaks enables characterization of groundwater flow distribution more quickly, more cost effectively, and with higher resolution than ever before. Combining the unique interpretation software Bore II with advanced downhole instrumentation (the hydrophysical logging tool), the method quantifies inflow and outflow locations, their associated flow rates, and the basic water quality parameters of the associated formation waters (e.g., pH, oxidation-reduction potential, temperature). In addition, when applied in conjunction with downhole fluid sampling, Bore II makes possible a complete assessment of contaminant concentration within groundwater.

  16. BORE II

    Energy Science and Technology Software Center (OSTI)

    2015-08-01

    Bore II, co-developed by Berkeley Lab researchers Frank Hale, Chin-Fu Tsang, and Christine Doughty, provides vital information for solving water quality and supply problems and for improving remediation of contaminated sites. Termed "hydrophysical logging," this technology is based on the concept of measuring repeated depth profiles of fluid electric conductivity in a borehole that is pumping. As fluid enters the wellbore, its distinct electric conductivity causes peaks in the conductivity log that grow and migratemore » upward with time. Analysis of the evolution of the peaks enables characterization of groundwater flow distribution more quickly, more cost effectively, and with higher resolution than ever before. Combining the unique interpretation software Bore II with advanced downhole instrumentation (the hydrophysical logging tool), the method quantifies inflow and outflow locations, their associated flow rates, and the basic water quality parameters of the associated formation waters (e.g., pH, oxidation-reduction potential, temperature). In addition, when applied in conjunction with downhole fluid sampling, Bore II makes possible a complete assessment of contaminant concentration within groundwater.« less

  17. PARS II Training Materials | Department of Energy

    Energy Savers [EERE]

    "how to" exercises for each course are available for download. Users who are attending Web classes should download these documents prior to attending the class. Slides from the...

  18. Biofoam II

    DOE Patents [OSTI]

    Morrison, Robert L.

    1994-01-01

    Biofoam is a rigid, microcellular organic foam made from organic materials derived from natural products and biological organisms. Starting materials include agar, agarose, gelatin, algin, alginates, gellan gum, and microcrystalline cellulose. The organic material is dissolved in a polar solvent, typically water, and the mixture is gelled. The water in the gel pores is replaced at least once with another solvent to reduce the pore size of the final biofoam. The solvent in the gel pores may be replaced several times. After the final replacement of solvent, the gel is frozen and freeze-dried to form a biofoam. Translucent biofoams are formed by selecting a final solvent that forms very small crystals. A variety of crystalline, fibrous, amorphous, or metallic additives may be incorporated into the foam structure to produce lightweight composite materials with enhanced strength and insulating properties.

  19. Biofoam II

    DOE Patents [OSTI]

    Morrison, R.L.

    1994-11-01

    Biofoam is a rigid, microcellular organic foam made from organic materials derived from natural products and biological organisms. Starting materials include agar, agarose, gelatin, algin, alginates, gellan gum, and microcrystalline cellulose. The organic material is dissolved in a polar solvent, typically water, and the mixture is gelled. The water in the gel pores is replaced at least once with another solvent to reduce the pore size of the final biofoam. The solvent in the gel pores may be replaced several times. After the final replacement of solvent, the gel is frozen and freeze-dried to form a biofoam. Translucent biofoams are formed by selecting a final solvent that forms very small crystals. A variety of crystalline, fibrous, amorphous, or metallic additives may be incorporated into the foam structure to produce lightweight composite materials with enhanced strength and insulating properties. 1 fig.

  20. Ii1

    Office of Legacy Management (LM)

    -r Ii1 5uitc 79% 955 L%fan~Plu,S.W.. Worhingm. D.C.200242134, 7117-03.87.cdy.43 23 September 1987 Mr. Andrew Wallo, III, NE-23 Division of Facility & Site Decommissioning Projects U.S. Department of Energy Germantown, Maryland 20545 Dear Mr. Wallo: ELIMINATION RECOMMENDATION -- COLLEGES AND UNIVtRSITIES The attached elimination recommendation was prepared in accordance.)l- flL.o* with your suggestion during our meeting on 22 September, The recommendat:on y0.0-02 includes 26 colleges and

  1. Part II

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

    80 Thursday, No. 251 December 31, 2015 Part II Department of Defense General Services Administration National Aeronautics and Space Administration 48 CFR Chapter 1 Federal Acquisition Regulations; Final Rules VerDate Sep<11>2014 17:22 Dec 30, 2015 Jkt 238001 PO 00000 Frm 00001 Fmt 4717 Sfmt 4717 E:\FR\FM\31DER2.SGM 31DER2 tkelley on DSK3SPTVN1PROD with RULES2 81886 Federal Register / Vol. 80, No. 251 / Thursday, December 31, 2015 / Rules and Regulations DEPARTMENT OF DEFENSE GENERAL

  2. PARS II TRAINING

    Broader source: Energy.gov [DOE]

    PARS II 102 Monthly Updating and Reporting Training Workbook (PARS II Release 1.1), September 13, 2010.

  3. Optical limiting materials

    DOE Patents [OSTI]

    McBranch, Duncan W.; Mattes, Benjamin R.; Koskelo, Aaron C.; Heeger, Alan J.; Robinson, Jeanne M.; Smilowitz, Laura B.; Klimov, Victor I.; Cha, Myoungsik; Sariciftci, N. Serdar; Hummelen, Jan C.

    1998-01-01

    Optical limiting materials. Methanofullerenes, fulleroids and/or other fullerenes chemically altered for enhanced solubility, in liquid solution, and in solid blends with transparent glass (SiO.sub.2) gels or polymers, or semiconducting (conjugated) polymers, are shown to be useful as optical limiters (optical surge protectors). The nonlinear absorption is tunable such that the energy transmitted through such blends saturates at high input energy per pulse over a wide range of wavelengths from 400-1100 nm by selecting the host material for its absorption wavelength and ability to transfer the absorbed energy into the optical limiting composition dissolved therein. This phenomenon should be generalizable to other compositions than substituted fullerenes.

  4. Cationic Gold Clusters Ligated with Differently Substituted Phosphines: Effect of Substitution on Ligand Reactivity and Binding

    SciTech Connect (OSTI)

    Johnson, Grant E.; Olivares, Astrid M.; Hill, David E.; Laskin, Julia

    2015-01-01

    We present a systematic study of the effect of the number of methyl (Me) and cyclohexyl (Cy) functional groups in monodentate phosphine ligands on the solution-phase synthesis of ligated sub-nanometer gold clusters and their gas-phase fragmentation pathways. Small mixed ligand cationic gold clusters were synthesized using ligand exchange reactions between pre-formed triphenylphosphine ligated (PPh3) gold clusters and monodentate Me- and Cy-substituted ligands in solution and characterized using electrospray ionization mass spectrometry (ESI-MS) and collision-induced dissociation (CID) experiments. Under the same experimental conditions, larger gold-PPh3 clusters undergo efficient exchange of unsubstituted PPh3 ligands for singly Me- and Cy-substituted PPh2Me and PPh2Cy ligands. The efficiency of ligand exchange decreases with an increasing number of Me or Cy groups in the substituted phosphine ligands. CID experiments performed for a series of ligand-exchanged gold clusters indicate that loss of a neutral Me-substituted ligand is preferred over loss of a neutral PPh¬3 ligand while the opposite trend is observed for Cy-substituted ligands. The branching ratio of the competing ligand loss channels is strongly correlated with the electron donating ability of the phosphorous lone pair as determined by the relative proton affinity of the ligand. The results indicate that the relative ligand binding energies increase in the order PMe3 < PPhMe2 < PPh2Me < PPh3< PPh2Cy < PPhCy2< PCy3. Furthermore, the difference in relative ligand binding energies increases with the number of substituted PPh3-mMem or PPh3-mCym ligands (L) exchanged onto each cluster. This study provides the first experimental determination of the relative binding energies of ligated gold clusters containing differently substituted monophosphine ligands, which are important to controlling their synthesis and reactivity in solution. The results also indicate that ligand substitution is an important

  5. UTILIZATION OF LIGHTWEIGHT MATERIALS MADE FROM COAL GASIFICATION SLAGS

    SciTech Connect (OSTI)

    Vas Choudhry; Stephen Kwan; Steven R. Hadley

    2001-07-01

    The objective of the project entitled ''Utilization of Lightweight Materials Made from Coal Gasification Slags'' was to demonstrate the technical and economic viability of manufacturing low-unit-weight products from coal gasification slags which can be used as substitutes for conventional lightweight and ultra-lightweight aggregates. In Phase I, the technology developed by Praxis to produce lightweight aggregates from slag (termed SLA) was applied to produce a large batch (10 tons) of expanded slag using pilot direct-fired rotary kilns and a fluidized bed calciner. The expanded products were characterized using basic characterization and application-oriented tests. Phase II involved the demonstration and evaluation of the use of expanded slag aggregates to produce a number of end-use applications including lightweight roof tiles, lightweight precast products (e.g., masonry blocks), structural concrete, insulating concrete, loose fill insulation, and as a substitute for expanded perlite and vermiculite in horticultural applications. Prototypes of these end-use applications were made and tested with the assistance of commercial manufacturers. Finally, the economics of expanded slag production was determined and compared with the alternative of slag disposal. Production of value-added products from SLA has a significant potential to enhance the overall gasification process economics, especially when the avoided costs of disposal are considered.

  6. Methods for preparation of cyclopentadienyliron (II) arenes

    DOE Patents [OSTI]

    Keipert, Steven J.

    1991-01-01

    Two improved methods for preparation of compounds with the structure shown in equation X [(Cp)--Fe--(Ar)].sup.+.sub.b X.sup.b- (X) where Cp is an eta.sup.5 complexed, substituted or unsubstituted, cyclopentadienyl or indenyl anion, Ar is an eta.sup.6 complexed substituted or unsubstituted, pi-arene ligand anad X is a b-valent anion where b is an integer between 1 and 3. The two methods, which differ in the source of the cyclopentadienyl anion - Lewis acid complex, utilize a Lewis acid assisted ligand transfer reaction. The cyclopentadienyl anion ligand, assisted by a Lewis acid is transferred to ferrous ion in the presence of an arene. In the first method, the cyclopentadienyl anion is derived from ferrocene and ferrous chloride. In this reaction, the cyclopentadienyliron (II) arene product is derived partially from ferrocene and partially from the ferrous salt. In the second method, the cyclopentadienyl anion - Lewis acid complex is formed by direct reaction of the Lewis acid with an inorganic cyclopentadienide salt. The cyclopentadienyliron (II) arene product of this reaction is derived entirely from the ferrous salt. Cyclopentadienyliron (II) arene cations are of great interest due to their utility as photoactivatable catalysts for a variety of polymerization reactions.

  7. Volume II, Environment, Safety, and Health Special Review of...

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

    for Nanoscale Material Activities at Department of Energy Laboratories, August 2008 Volume II, Environment, Safety, and Health Special Review of Work Practices for Nanoscale ...

  8. Enhanced O-2 Selectivity versus N-2 by Partial Metal Substitution in Cu-BTC

    SciTech Connect (OSTI)

    Sava Gallis, Dorina F.; Parkes, Marie V.; Greathouse, Jeffery A.; Zhang, Xiaoyi; Nenoff, Tina M.

    2015-03-24

    Here, we describe the homogeneous substitution of Mn, Fe, and Co at various levels into a prototypical metal organic framework (MOP), namely Cu-BTC (HKUST-1), and the effect of that substitution on preferential gas sorption. Using a combination of density functional theory (DFT) calculations, postsynthetic metal substitutions, materials characterization, and gas sorption testing, we demonstrate that the identity of the metal ion has a quantifiable effect on their oxygen and nitrogen sorption properties at cryogenic temperatures. An excellent correlation is found between O-2/N-2 selectivities determined experimentally at 77 K and the difference in O-2 and N-2 binding energies calculated from DFT modeling data: Mn > Fe Co >> Cu. Room temperature gas sorption studies were also performed and correlated with metal substitution. The Fe-exchanged sample shows a significantly higher nitrogen isosteric heat of adsorption at temperatures close to ambient conditions (273-298 K) as compared to all other metals studied, indicative of favorable interactions between N-2 and coordinatively unsaturated Fe metal centers. Interestingly, differences in gas adsorption results at cryogenic and room temperatures are evident; they are explained by comparing experimental results with DFT binding energies (0 K) and room temperature Grand Canonical Monte Carlo simulations.

  9. Enhanced O2 selectivity versus N2 by partial metal substitution in Cu-BTC

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

    Sava Gallis, Dorina F.; Parkes, Marie V.; Greathouse, Jeffery A.; Zhang, Xiaoyi; Nenoff, Tina M.

    2015-03-05

    Here we describe the homogeneous substitution of Mn, Fe and Co at various levels into a prototypical metal-organic framework (MOF), namely Cu-BTC (HKUST-1), and the effect of that substitution on preferential gas sorption. Using a combination of density functional theory (DFT) calculations, postsynthetic metal substitutions, materials characterization, and gas sorption testing, we demonstrate that the identity of the metal ion has a quantifiable effect on their oxygen and nitrogen sorption properties at cryogenic temperatures. An excellent correlation is found between O2/N2 selectivities determined experimentally at 77 K and the difference in O2 and N2 binding energies calculated from DFT modelingmore » data: Mn > Fe > Co > Cu. Room temperature gas sorption studies were also performed and correlated with metal substitution. The Fe-exchanged sample shows a significantly higher nitrogen isosteric heat of adsorption at temperatures close to ambient conditions (273 K - 298 K) as compared to all other metals studied, indicative of favorable interactions between N2 and coordinatively unsaturated Fe metal centers. Furthermore, differences in gas adsorption results at cryogenic and room temperatures are evident; they are explained by comparing experimental results with DFT binding energies (0 K) and room temperature Grand Canonical Monte Carlo simulations.« less

  10. Activation of methane by transition metal-substituted aluminophosphate molecular sieves

    DOE Patents [OSTI]

    Iton, Lennox E.; Maroni, Victor A.

    1991-01-01

    Aluminophosphate molecular sieves substituted with cobalt, manganese or iron and having the AlPO.sub.4 -34 or AlPO.sub.4 -5, or related AlPO.sub.4 structure activate methane starting at approximately 350.degree. C. Between 400.degree. and 500.degree. C. and at methane pressures .ltoreq.1 atmosphere the rate of methane conversion increases steadily with typical conversion efficiencies at 500.degree. C. approaching 50% and selectivity to the production of C.sub.2+ hydrocarbons approaching 100%. The activation mechanism is based on reduction of the transition metal(III) form of the molecular sieve to the transition metal(II) form with accompanying oxidative dehydrogenation of the methane. Reoxidation of the - transition metal(II) form to the transition metal(III) form can be done either chemically (e.g., using O.sub.2) or electrochemically.

  11. PARS II TRAINING

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

    13, 2010 (V1.1) PARS II 102 Monthly Updating and Reporting i Project Assessment and Reporting System PARS II 102 Monthly Updating and Reporting Training Workbook (PARS II Release ...

  12. Advanced materials for solid oxide fuel cells

    SciTech Connect (OSTI)

    Armstrong, T.R.; Stevenson, J.; Paulik, S.

    1996-12-31

    Purpose of the research is to improve the properties of current state- of-the-art materials used for SOFCs. The project includes interconnect development, high-performance cathode, electrochemical testing, and accelerated testing. This document reports results of mechanical tests (bend strength, elastic modulus, fracture strength) of acceptor-substituted lanthanum chromite (interconnect material).

  13. The Synthesis and Characterization of Substituted Olivines and...

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

    D.C. PDF icon es050whittingham2010p.pdf More Documents & Publications The Synthesis and Characterization of Substituted Phosphates and Layered Manganese Oxides The...

  14. Substituted 3-hydroxy-delta-lactones from epoxides

    DOE Patents [OSTI]

    Coates, Geoffrey W.; Kramer, John W.

    2013-09-10

    Catalysts and methods for the carbonylation of epoxides to substituted 3-hydroxy-.delta.-lactones and .beta.-lactones are disclosed.

  15. Proximity-induced magnetism in transition-metal substituted graphene...

    Office of Scientific and Technical Information (OSTI)

    Proximity-induced magnetism in transition-metal substituted graphene Citation ... GrantContract Number: AC07-05ID14517 Type: Accepted Manuscript Journal Name: Scientific Reports ...

  16. ARM - RHUBC II Instruments

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

    Instruments Related Links RHUBC-II Home RHUBC Home ARM Field Campaigns Home ARM Data Discovery Browse Data Deployment Instruments Science Team RHUBC-II Wiki Site Tour News RHUBC-II Backgrounder (PDF, 300K) News & Press Images Experiment Planning RHUBC-II Proposal Abstract Science Plan (PDF, 267KB) Science Objectives Contacts Eli Mlawer, Principal Investigator Dave Turner, Principal Investigator RHUBC II Instruments RHUBC-II Instruments - Cerro Toco, Chile Guest Instruments Instrument

  17. weapons material | National Nuclear Security Administration

    National Nuclear Security Administration (NNSA)

    material

  18. High pressure chemistry of substituted acetylenes

    SciTech Connect (OSTI)

    Chellappa, Raja; Dattelbaum, Dana; Sheffield, Stephen; Robbins, David

    2011-01-25

    High pressure in situ synchrotron x-ray diffraction experiments were performed on substituted polyacetylenes: tert-butyl acetylene [TBA: (CH{sub 3}){sub 3}-C{triple_bond}CH] and ethynyl trimethylsilane [ETMS: (CH{sub 3}){sub 3}-Si{triple_bond}CH] to investigate pressure-induced chemical reactions. The starting samples were the low temperature crystalline phases which persisted metastably at room temperature and polymerized beyond 11 GPa and 26 GPa for TBA and ETMS respectively. These reaction onset pressures are considerably higher than what we observed in the shockwave studies (6.1 GPa for TBA and 6.6 GPa for ETMS). Interestingly, in the case of ETMS, it was observed with fluid ETMS as starting sample, reacts to form a semi-crystalline polymer (crystalline domains corresponding to the low-T phase) at pressures less than {approx}2 GPa. Further characterization using vibrational spectroscopy is in progress.

  19. Oxygen ion conducting materials

    DOE Patents [OSTI]

    Carter, J. David; Wang, Xiaoping; Vaughey, John; Krumpelt, Michael

    2004-11-23

    An oxygen ion conducting ceramic oxide that has applications in industry including fuel cells, oxygen pumps, oxygen sensors, and separation membranes. The material is based on the idea that substituting a dopant into the host perovskite lattice of (La,Sr)MnO.sub.3 that prefers a coordination number lower than 6 will induce oxygen ion vacancies to form in the lattice. Because the oxygen ion conductivity of (La,Sr)MnO.sub.3 is low over a very large temperature range, the material exhibits a high overpotential when used. The inclusion of oxygen vacancies into the lattice by doping the material has been found to maintain the desirable properties of (La,Sr)MnO.sub.3, while significantly decreasing the experimentally observed overpotential.

  20. Oxygen ion conducting materials

    DOE Patents [OSTI]

    Vaughey, John; Krumpelt, Michael; Wang, Xiaoping; Carter, J. David

    2005-07-12

    An oxygen ion conducting ceramic oxide that has applications in industry including fuel cells, oxygen pumps, oxygen sensors, and separation membranes. The material is based on the idea that substituting a dopant into the host perovskite lattice of (La,Sr)MnO.sub.3 that prefers a coordination number lower than 6 will induce oxygen ion vacancies to form in the lattice. Because the oxygen ion conductivity of (La,Sr)MnO.sub.3 is low over a very large temperature range, the material exhibits a high overpotential when used. The inclusion of oxygen vacancies into the lattice by doping the material has been found to maintain the desirable properties of (La,Sr)MnO.sub.3, while significantly decreasing the experimentally observed overpotential.

  1. Oxygen ion conducting materials

    DOE Patents [OSTI]

    Vaughey, John; Krumpelt, Michael; Wang, Xiaoping; Carter, J. David

    2003-01-01

    An oxygen ion conducting ceramic oxide that has applications in industry including fuel cells, oxygen pumps, oxygen sensors, and separation membranes. The material is based on the idea that substituting a dopant into the host perovskite lattice of (La,Sr)MnO.sub.3 that prefers a coordination number lower than 6 will induce oxygen ion vacancies to form in the lattice. Because the oxygen ion conductivity of (La,Sr)MnO.sub.3 is low over a very large temperature range, the material exhibits a high overpotential when used. The inclusion of oxygen vacancies into the lattice by doping the material has been found to maintain the desirable properties of (La,Sr)MnO.sub.3, while significantly decreasing the experimentally observed overpotential.

  2. Plutonium recovery from organic materials

    DOE Patents [OSTI]

    Deaton, R.L.; Silver, G.L.

    1973-12-11

    A method is described for removing plutonium or the like from organic material wherein the organic material is leached with a solution containing a strong reducing agent such as titanium (III) (Ti/sup +3None)/, chromium (II) (Cr/ sup +2/), vanadium (II) (V/sup +2/) ions, or ferrous ethylenediaminetetraacetate (EDTA), the leaching yielding a plutonium-containing solution that is further processed to recover plutonium. The leach solution may also contain citrate or tartrate ion. (Official Gazette)

  3. Optical limiting materials

    DOE Patents [OSTI]

    McBranch, D.W.; Mattes, B.R.; Koskelo, A.C.; Heeger, A.J.; Robinson, J.M.; Smilowitz, L.B.; Klimov, V.I.; Cha, M.; Sariciftci, N.S.; Hummelen, J.C.

    1998-04-21

    Methanofullerenes, fulleroids and/or other fullerenes chemically altered for enhanced solubility, in liquid solution, and in solid blends with transparent glass (SiO{sub 2}) gels or polymers, or semiconducting (conjugated) polymers, are shown to be useful as optical limiters (optical surge protectors). The nonlinear absorption is tunable such that the energy transmitted through such blends saturates at high input energy per pulse over a wide range of wavelengths from 400--1,100 nm by selecting the host material for its absorption wavelength and ability to transfer the absorbed energy into the optical limiting composition dissolved therein. This phenomenon should be generalizable to other compositions than substituted fullerenes. 5 figs.

  4. Meet CMI Researcher Brian Sales | Critical Materials Institute

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

    Brian Sales CMI focus area deputy leader Brian Sales CMI researcher Brian Sales is the Deputy Lead for Focus Area 2, Developing Substitutes. In this role, he assists Adam Schwartz in overseeing projects that reduce the usage of critical rare earth elements by developing substitute materials with equivalent or superior properties. Dr. Sales' research has focused on the discovery, synthesis, and development of new materials with potential to impact advanced energy technologies. He has made

  5. Transition-metal and metalloid substitutions in L1(0)-ordered FeNi

    SciTech Connect (OSTI)

    Manchanda, P; Skomski, R; Bordeaux, N; Lewis, LH; Kashyap, A

    2014-05-07

    The effect of atomic substitutions on the magnetization, exchange, and magnetocrystalline anisotropy energy of L1(0)-ordered FeNi (tetrataenite) is computationally investigated. The compound naturally occurs in meteorites but has attracted renewed attention as a potential material for permanent magnets, and elemental additives will likely be necessary to facilitate the phase formation. Our density functional theory calculations use the Vienna ab-initio simulation package, applied to 4-atom unit cells of Fe2XNi and 32-atom supercells (X = Al, P, S, Ti, V, Cr, Mn, Fe, Co). While it is found that most additives deteriorate the magnetic properties, there are exceptions: excess substitutional Fe and Co additions improve the magnetization, whereas Cr, S, and interstitial B additions improve the magnetocrystalline anisotropy. (C) 2014 AIP Publishing LLC.

  6. Transition-metal and metalloid substitutions in L1{sub 0}-ordered FeNi

    SciTech Connect (OSTI)

    Manchanda, Priyanka; Skomski, Ralph; Bordeaux, N.; Lewis, L. H.; Kashyap, Arti

    2014-05-07

    The effect of atomic substitutions on the magnetization, exchange, and magnetocrystalline anisotropy energy of L1{sub 0}-ordered FeNi (tetrataenite) is computationally investigated. The compound naturally occurs in meteorites but has attracted renewed attention as a potential material for permanent magnets, and elemental additives will likely be necessary to facilitate the phase formation. Our density functional theory calculations use the Vienna ab-initio simulation package, applied to 4-atom unit cells of Fe{sub 2}XNi and 32-atom supercells (X?=?Al, P, S, Ti, V, Cr, Mn, Fe, Co). While it is found that most additives deteriorate the magnetic properties, there are exceptions: excess substitutional Fe and Co additions improve the magnetization, whereas Cr, S, and interstitial B additions improve the magnetocrystalline anisotropy.

  7. Substitution and price elasticity estimates using inter-countrypooled data in a translog cost model

    SciTech Connect (OSTI)

    Roy, Joyashree; Sanstad, Alan H.; Sathaye, Jayant A.; Khaddaria,Raman

    2006-06-01

    Pooled data across several developing countries and the U.S. were used to estimate long-run substitution and price elasticities ina translog framework for the paper, iron and steel, and aggregatemanufacturing industries. While the quality of the estimates variesacross the several industry-specific models, the results suggest highervalues for these elasticities than appear commonly used in integratedassessment models. Estimates of own-price elasticities of energy rangefrom - 0.80 to - 1.76 and are comparable to estimates from previouseconometric studies in the context of developed countries (- 0.77 to -0.87). Substitution elasticities show wider variation across countriesand industries. For energy and capital they range from -1.96 to 9.80, forlabor and energy from 2.61 to 7.11, and for energy and material from -0.26 to 2.07.

  8. Interpretation of thermoelectric properties of Cu substituted LaCoO{sub 3} ceramics

    SciTech Connect (OSTI)

    Choudhary, K. K.; Kaurav, N.; Sharma, U.; Ghosh, S. K.

    2014-04-24

    The thermoelectric properties of LaCo{sub 1?x}Cu{sub x}O{sub 3??} is theoretically analyzed, it is observed that thermoelectric figure of merit ZT (=S{sup 2}?T/?) is maximized by Cu substitution in LaCoO{sub 3} Ceramics at x=0.15. The lattice thermal conductivity and thermoelectric power were estimated by the scattering of phonons with defects, grain boundaries, electrons and phonons to evaluate the thermoelectric properties. We found that Cu substitution increase the phonon scattering with grain boundaries and defects which significantly increase the thermoelectric power and decrease the thermal conductivity. The present numerical analysis will help in designing more efficient thermoelectric materials.

  9. BEATRIX-II, phase II: Data summary report

    SciTech Connect (OSTI)

    Slagle, O.D.; Hollenberg, G.W.

    1996-05-01

    The BEATRIX-II experimental program was an International Energy Agency sponsored collaborative effort between Japan, Canada, and the United States to evaluate the performance of ceramic solid breeder materials in a fast-neutron environment at high burnup levels. This report addresses the Phase II activities, which included two in situ tritium-recovery canisters: temperature-change and temperature-gradient. The temperature-change canister contained a Li{sub 2}O ring specimen that had a nearly uniform temperature profile and was capable of temperature changes between 530 and 640{degrees}C. The temperature-gradient canister contained a Li{sub 2}ZrO{sub 3} pebble bed operating under a thermal gradient of 440 to 1100{degrees}C. Postirradiation examination was carried out to characterize the Phase II in situ specimens and a series of nonvented capsules designed to address the compatibility of beryllium with lithium-ceramic solid-breeder materials. The results of the BEATRIX-II, Phase II, irradiation experiment provided an extensive data base on the in situ tritium-release characteristics of Li{sub 2}O and Li{sub 2}ZrO{sub 3} for lithium burnups near 5%. The composition of the sweep gas was found to be a critical parameter in the recovery of tritium from both Li{sub 2}O and Li{sub 2}ZrO{sub 3}. Tritium inventories measured confirmed that Li{sub 2}O and Li{sub 2}ZrO{sub 3} exhibited very low tritium retention during the Phase II irradiation. Tritium inventories in Li{sub 2}ZrO{sub 3} after Phase II tended to be larger than those found for Li{sub 2}ZrO{sub 3} in other in situ experiments, but the larger values may reflect the larger generation rates in BEATRIX-II. A series of 20 capsules was irradiated to determine the compatibility of lithium ceramics and beryllium under conditions similar to a fusion blanket. It is concluded that Li{sub 2}O and Li{sub 2}ZrO{sub 3} should remain leading candidates for use in a solid-breeder fusion-blanket application.

  10. Doping against the native propensity of MoS₂: Degenerate hole doping by cation substitution

    SciTech Connect (OSTI)

    Suh, Joonki; Park, Tae-Eon; Lin, Der-Yuh; Fu, Deyi; Park, Joonsuk; Jung, Hee Joon; Chen, Yabin; Ko, Changhyun; Jang, Chaun; Sun, Yinghui; Sinclair, Robert; Chang, Joonyeon; Tongay, Sefaattin; Wu, Junqiao

    2014-12-10

    Layered transition metal dichalcogenides (TMDs) draw much attention as the key semiconducting material for two-dimensional electrical, optoelectronic, and spintronic devices. For most of these applications, both n- and p-type materials are needed to form junctions and support bipolar carrier conduction. However, typically only one type of doping is stable for a particular TMD. For example, molybdenum disulfide (MoS₂) is natively an n-type presumably due to omnipresent electron-donating sulfur vacancies, and stable/controllable p-type doping has not been achieved. The lack of p-type doping hampers the development of charge-splitting p–n junctions of MoS₂, as well as limits carrier conduction to spin-degenerate conduction bands instead of the more interesting, spin-polarized valence bands. Traditionally, extrinsic p-type doping in TMDs has been approached with surface adsorption or intercalation of electron-accepting molecules. However, practically stable doping requires substitution of host atoms with dopants where the doping is secured by covalent bonding. In this work, we demonstrate stable p-type conduction in MoS₂ by substitutional niobium (Nb) doping, leading to a degenerate hole density of ~3 × 10¹⁹ cm⁻³. Structural and X-ray techniques reveal that the Nb atoms are indeed substitutionally incorporated into MoS₂ by replacing the Mo cations in the host lattice. van der Waals p–n homojunctions based on vertically stacked MoS₂ layers are fabricated, which enable gate-tunable current rectification. A wide range of microelectronic, optoelectronic, and spintronic devices can be envisioned from the demonstrated substitutional bipolar doping of MoS₂. From the miscibility of dopants with the host, it is also expected that the synthesis technique demonstrated here can be generally extended to other TMDs for doping against their native unipolar propensity.

  11. Vehicle Technologies Office Merit Review 2014: Multi-Material Lightweight

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

    Vehicles: Mach II Design | Department of Energy Multi-Material Lightweight Vehicles: Mach II Design Vehicle Technologies Office Merit Review 2014: Multi-Material Lightweight Vehicles: Mach II Design Presentation given by VEHMA at 2014 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about multi-material lightweight vehicles: Mach II design. lm088_skszek_2014_o.pdf (2.33 MB) More Documents & Publications Vehicle

  12. Production of Substitute Natural Gas from Coal

    SciTech Connect (OSTI)

    Andrew Lucero

    2009-01-31

    The goal of this research program was to develop and demonstrate a novel gasification technology to produce substitute natural gas (SNG) from coal. The technology relies on a continuous sequential processing method that differs substantially from the historic methanation or hydro-gasification processing technologies. The thermo-chemistry relies on all the same reactions, but the processing sequences are different. The proposed concept is appropriate for western sub-bituminous coals, which tend to be composed of about half fixed carbon and about half volatile matter (dry ash-free basis). In the most general terms the process requires four steps (1) separating the fixed carbon from the volatile matter (pyrolysis); (2) converting the volatile fraction into syngas (reforming); (3) reacting the syngas with heated carbon to make methane-rich fuel gas (methanation and hydro-gasification); and (4) generating process heat by combusting residual char (combustion). A key feature of this technology is that no oxygen plant is needed for char combustion.

  13. Catalytic Partial oxidation of n-Tetradecane Using Pyrochlores: Effect of Rh and Sr Substitution

    SciTech Connect (OSTI)

    Haynes, D.J.; Berry, D.A.; Shekhawat, Dushyant; Spivey, J.J.

    2008-07-31

    significantly less carbon (0.17 gcarbon/gcatalyst). It is speculated that improved oxygen ion mobility in the LSRZ material, which resulted from Sr substitution, was responsible for the reduction in carbon formation on the surface.

  14. Structure-dielectric properties relationships in copper-substituted magnesium ferrites

    SciTech Connect (OSTI)

    Druc, A.C.; Borhan, A.I.; Nedelcu, G.G.; Leontie, L.; Iordan, A.R.; Palamaru, M.N.

    2013-11-15

    Graphical abstract: - Highlights: • Synthesis of copper substituted magnesium ferrites materials is reported. • A shift from cubic to tetragonal structure starting with x = 0.84 was observed. • The dielectric properties are influenced by Cu-substitution. - Abstract: Nanocrystalline powders of copper-substituted magnesium ferrites with general formula Mg{sub 1−x}Cu{sub x}Fe{sub 2}O{sub 4} (x = 0.00, 0.17, 0.34, 0.50, 0.67, 0.84, 1.00) were prepared for the first time by sol–gel auto-combustion method, using glycine as fuel agent. Solid phase chemical reactions and the occurrence of spinel structure were monitored by using infrared spectroscopy. X-ray diffraction analysis confirmed the spinel single-phase formation. A shift from cubic structure to tetragonal structure starting with x = 0.84 was also observed. Microstructure of the samples was analyzed by scanning electron microscopy and particle size was estimated from the micrographs. Analysis of dielectric properties revealed very low values of dielectric loss at frequencies over 10 MHz.

  15. Layered manganese oxide intergrowth electrodes for rechargeable lithium batteries: Part 1-substitution with Co or Ni

    SciTech Connect (OSTI)

    Dolle, Mickael; Patoux, Sebastien; Doeff, Marca M.

    2004-09-08

    Lithium manganese oxides substituted with nickel or cobalt were characterized electrochemically in lithium cell configurations. The compounds studied were either single-phase layered structures with either primarily O2 or O3 stacking arrangements, or O2/O3 intergrowths, prepared from P2, P3 and P2/P3 sodium-containing precursors, respectively. The stacking arrangements are extremely sensitive to the Na/T. M. (T. M. = transition metal) ratios and the level of substitution. Phase diagrams showing the stability regions of the various arrangements for the Na-Ni-Mn-O system are presented. A possible correlation between vacancies and electrochemical performance is suggested. For high levels of substitution with Ni, fewer defects are possible for materials containing more O3 component and higher discharge capacities can be achieved, but spinel conversion upon cycling also occurs more rapidly as the O3 content increases. Intergrowths show intermediate behavior and represent a potential route towards designing stable, high capacity electrodes.

  16. Phase II Final Report

    SciTech Connect (OSTI)

    Schuknecht, Nate; White, David; Hoste, Graeme

    2014-09-11

    The SkyTrough DSP will advance the state-of-the-art in parabolic troughs for utility applications, with a larger aperture, higher operating temperature, and lower cost. The goal of this project was to develop a parabolic trough collector that enables solar electricity generation in the 2020 marketplace for a 216MWe nameplate baseload power plant. This plant requires an LCOE of 9¢/kWhe, given a capacity factor of 75%, a fossil fuel limit of 15%, a fossil fuel cost of $6.75/MMBtu, $25.00/kWht thermal storage cost, and a domestic installation corresponding to Daggett, CA. The result of our optimization was a trough design of larger aperture and operating temperature than has been fielded in large, utility scale parabolic trough applications: 7.6m width x 150m SCA length (1,118m2 aperture), with four 90mm diameter × 4.7m receivers per mirror module and an operating temperature of 500°C. The results from physical modeling in the System Advisory Model indicate that, for a capacity factor of 75%: The LCOE will be 8.87¢/kWhe. SkyFuel examined the design of almost every parabolic trough component from a perspective of load and performance at aperture areas from 500 to 2,900m2. Aperture-dependent design was combined with fixed quotations for similar parts from the commercialized SkyTrough product, and established an installed cost of $130/m2 in 2020. This project was conducted in two phases. Phase I was a preliminary design, culminating in an optimum trough size and further improvement of an advanced polymeric reflective material. This phase was completed in October of 2011. Phase II has been the detailed engineering design and component testing, which culminated in the fabrication and testing of a single mirror module. Phase II is complete, and this document presents a summary of the comprehensive work.

  17. Bridging-ligand-substitution strategy for the preparation of...

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

    Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra Previous Next List Jian-Rong Li & Hong-Cai Zhou, Nature Chemistry 2, 893-898 (2010) DOI:...

  18. Energy and process substitution in the frozen-food industry:...

    Office of Scientific and Technical Information (OSTI)

    and process substitution in the frozen-food industry: geothermal energy and the retortable pouch Stern, M.W.; Hanemann, W.M.; Eckhouse, K. 32 ENERGY CONSERVATION, CONSUMPTION, AND...

  19. Computational Modeling of Degradation of Substituted Benzyltrimethyl Ammonium: Preprint

    SciTech Connect (OSTI)

    Long, H.; Pivovar, B. S.

    2014-09-01

    The degradation of cations on the alkaline exchange membranes is the major challenge for alkaline membrane fuel cells. In this paper, we investigated the degradation barriers by density functional theory for substituted benzyltrimethyl ammonium (BTMA+) cations, which is one of the most commonly used cations for alkaline exchange membranes. We found that substituted cations with electron-releasing substituent groups at meta-position of the benzyl ring could result in improved degradation barriers. However, after investigating more than thirty substituted BTMA+ cations with ten different substituent groups, the largest improvement of degradation barriers is only 1.6 kcal/mol. This implies that the lifetime of alkaline membrane fuel cells could increase from a few months to a few years by using substituted BTMA+ cations, an encouraging but still limited improvement for real-world applications.

  20. Quantitative NMR Analysis of Partially Substituted Biodiesel Glycerols

    SciTech Connect (OSTI)

    Nagy, M.; Alleman, T. L.; Dyer, T.; Ragauskas, A. J.

    2009-01-01

    Phosphitylation of hydroxyl groups in biodiesel samples with 2-chloro-4,4,5,5-tetramethyl-1,3,2-dioxaphospholane followed by 31P-NMR analysis provides a rapid quantitative analytical technique for the determination of substitution patterns on partially esterified glycerols. The unique 31P-NMR chemical shift data was established with a series mono and di-substituted fatty acid esters of glycerol and then utilized to characterize an industrial sample of partially processed biodiesel.

  1. The Synthesis and Characterization of Substituted Phosphates and Layered

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

    Manganese Oxides | Department of Energy 1 DOE Hydrogen and Fuel Cells Program, and Vehicle Technologies Program Annual Merit Review and Peer Evaluation es050_whittingham_2011_o.pdf (643.56 KB) More Documents & Publications The Synthesis and Characterization of Substituted Olivines and Layered Manganese Oxides The Synthesis and Characterization of Substituted Olivines and Layered Manganese Oxides FY 2011 Annual Progress Report for Energy Storage R&D

  2. Microsoft Word - Fuel Substitution Elasticities final.docx

    Gasoline and Diesel Fuel Update (EIA)

    Fuel Competition in Power Generation and Elasticities of Substitution June 2012 Independent Statistics & Analysis www.eia.gov U.S. Department of Energy Washington, DC 20585 U.S. Energy Information Administration | Fuel Competition in Power Generation and Elasticities of Substitution i This report was prepared by the U.S. Energy Information Administration (EIA), the statistical and analytical agency within the U.S. Department of Energy. By law, EIA's data, analyses, and forecasts are

  3. Coming up with platinum substitutes may be elemental

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

    Coming up with platinum substitutes may be elemental Community Connections: Your link to news and opportunities from Los Alamos National Laboratory Latest Issue: September 1, 2016 all issues All Issues » submit Coming up with platinum substitutes may be elemental Lab researchers are working with an abundant element to take their place: cobalt. February 1, 2013 dummy image Read our archives. Contacts Editor Linda Anderman Email Community Programs Office Kurt Steinhaus Email Initial findings by a

  4. U.S. Department of Energy Critical Materials Strategy

    SciTech Connect (OSTI)

    Bauer, D.; Diamond, D.; Li, J.; Sandalow, D.; Telleen, P.; Wanner, B.

    2010-12-01

    This report examines the role of rare earth metals and other materials in the clean energy economy. It was prepared by the U.S. Department of Energy (DOE) based on data collected and research performed during 2010. Its main conclusions include: (a) Several clean energy technologies -- including wind turbines, electric vehicles, photovoltaic cells and fluorescent lighting -- use materials at risk of supply disruptions in the short term. Those risks will generally decrease in the medium and long term. (b) Clean energy technologies currently constitute about 20 percent of global consumption of critical materials. As clean energy technologies are deployed more widely in the decades ahead, their share of global consumption of critical materials will likely grow. (c) Of the materials analyzed, five rare earth metals (dysprosium, neodymium, terbium, europium and yttrium), as well as indium, are assessed as most critical in the short term. For this purpose, 'criticality' is a measure that combines importance to the clean energy economy and risk of supply disruption. (d) Sound policies and strategic investments can reduce the risk of supply disruptions, especially in the medium and long term. (e) Data with respect to many of the issues considered in this report are sparse. In the report, DOE describes plans to (i) develop its first integrated research agenda addressing critical materials, building on three technical workshops convened by the Department during November and December 2010; (ii) strengthen its capacity for information-gathering on this topic; and (iii) work closely with international partners, including Japan and Europe, to reduce vulnerability to supply disruptions and address critical material needs. DOE will work with other stakeholders -- including interagency colleagues, Congress and the public -- to shape policy tools that strengthen the United States' strategic capabilities. DOE also announces its plan to develop an updated critical materials strategy

  5. Aegir II | Open Energy Information

    Open Energy Info (EERE)

    Aegir II Jump to: navigation, search Name Aegir II Facility Aegir II Sector Wind energy Facility Type Offshore Wind Facility Status Proposed Location Lake Michigan MI Coordinates...

  6. Penascal II | Open Energy Information

    Open Energy Info (EERE)

    Penascal II Jump to: navigation, search Name Penascal II Facility Penascal II Sector Wind energy Facility Type Commercial Scale Wind Facility Status In Service Developer Iberdrola...

  7. Glacier II | Open Energy Information

    Open Energy Info (EERE)

    II Jump to: navigation, search Name Glacier II Facility Glacier II Sector Wind energy Facility Type Commercial Scale Wind Facility Status In Service Owner NaturEner Developer...

  8. Material Misfits

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

    Issues submit Material Misfits How well nanocomposite materials align at their interfaces determines what properties they have, opening broad new avenues of materials-science...

  9. Wilton Wind Energy Center II II | Open Energy Information

    Open Energy Info (EERE)

    II Jump to: navigation, search Name Wilton Wind Energy Center II II Facility Wilton Wind Energy Center II Sector Wind energy Facility Type Commercial Scale Wind Facility Status In...

  10. SECTION II: HEAVY ION REACTIONS

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

    II: HEAVY ION REACTIONS Experimental Determination of the Symmetry Energy of a Low Density Nuclear Gas ......II-1 S. ...

  11. Functional Materials

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

    Functional Materials Researchers in NETL's Functional Materials Development competency work to discover and develop advanced functional materials and component processing technologies to meet technology performance requirements and enable scale-up for proof-of-concept studies. Research includes separations materials and electrochemical and magnetic materials, specifically: Separations Materials Synthesis, purification, and basic characterization of organic substances, including polymers and

  12. Copper-substituted perovskite compositions for solid oxide fuel cell cathodes and oxygen reduction electrodes in other electrochemical devices

    DOE Patents [OSTI]

    Rieke, Peter C.; Coffey, Gregory W.; Pederson, Larry R.; Marina, Olga A.; Hardy, John S.; Singh, Prabhaker; Thomsen, Edwin C.

    2010-07-20

    The present invention provides novel compositions that find advantageous use in making electrodes for electrochemical cells. Also provided are electrochemical devices that include active oxygen reduction electrodes, such as solid oxide fuel cells, sensors, pumps and the like. The compositions comprises a copper-substituted ferrite perovskite material. The invention also provides novel methods for making and using the electrode compositions and solid oxide fuel cells and solid oxide fuel cell assemblies having cathodes comprising the compositions.

  13. TRUPACT-II, a regulatory perspective

    SciTech Connect (OSTI)

    Gregory, P.C.; Spooner, O.R.

    1995-12-31

    The Transuranic Package Transporter II (TRUPACT-II) is a US Nuclear Regulatory Commission (NRC) certified Type B packaging for the shipment of contact-handled transuranic (CH-TRU) material by the US Department of Energy (DOE). The NRC approved the TRUPACT-II design as meeting the requirements of Title 10, Code of Federal Regulations, Part 71 (10 CFR 71) and issued Certificate of Compliance (CofC) Number 9218 to the DOE. There are currently 15 certified TRUPACT-IIs. Additional TRUPACT-IIs will be required to make more than 15,000 shipments of CH-TRU waste to the Waste Isolation Pilot Plant (WIPP) site near Carlsbad, New Mexico. The TRUPACT-II may also be used for the DOE inter-site and intra-site shipments of CH-TRU waste. The Land Withdrawal Act (Public Law 102-579), enacted by the US Congress, October 30, 1992, and an agreement between the DOE and the State of New Mexico, signed August 4, 1987, both stipulate that only NRC approved packaging may be used for shipments of TRU waste to the WIPP. Early in the TRUPACT-II development phase it was decided that the transportation system (tractor, trailer, and TRUPACT-II) should be highway legal on all routes without the need for oversize and/or overweight permits. In large measure, public acceptance of the DOE`s efforts to safely transport CH-TRU waste depends on the public`s perception that the TRUPACT-II is in compliance with all applicable regulations, standards, and quality assurance requirements. This paper addresses some of the numerous regulations applicable to Type B packaging, and it describes how the TRUPACT-II complies with these regulations.

  14. Complete Project List | Critical Materials Institute

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

    Complete Project List Researchers at the Critical Materials Institute work to find ways to diversify supplies of critical materials, develop substitutes, improve reuse and recycling, enable research, sustain the environment, study the supply chain and analyze economics. The institute started with more than 30 projects. Over time, some have merged or ended and others have been added. This page provides a list of the current CMI projects, which can be sorted by clicking on a column header. Project

  15. Structural Materials

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

    Structural Materials Structural Materials Development enables advanced technologies through the discovery, development, and demonstration of cost-effective advanced structural materials for use in extreme environments (high-temperature, high-stress, erosive, and corrosive environments, including the performance of materials in contact with molten slags and salts). Research includes materials design and discovery, materials processing and manufacturing, and service-life prediction of materials

  16. Solvent Refined Coal-II (SRC-II) detailed environmental plan

    SciTech Connect (OSTI)

    Not Available

    1980-10-01

    This document describes environmental research which will: aid in the development of an environmentally acceptable SRC-II process; and provide data for environmental assessment of the process. The SRC-II process is described, criteria for selection of samples to undergo environmental analyses are given, and approximate timelines are presented for obtaining pertinent samples. At this time, the SRC-II process is at the pilot-plant stage of development and a demonstration facility is scheduled to begin operation in 1984. Since design criteria may change, the environmental research described in this document is organized in four phases which correlate with and will provide information early in process development. Phase I research (screening) evaluates samples from existing SRC-II facilities (pilot, process demonstration unit (PDU), bench) which may bracket potential demonstration/commercial practice in terms of physical and chemical criteria. The samples are being subjected to a battery of short-term biomedical and ecological assays. Chemical fractionation and analysis are being performed to determine compounds and compound classes of potential concern. Phase II (baseline) research will evaluate SRC-II materials which are considered most representative of potential demonstration/commercial practice. These materials will be subjected to longer-term, more-extensive biological and ecological analyses relative to effects and environmental fate. Phase III research will examine effects of process modification, control technologies and changing operational conditions on potential environmental properties of SRC-II materials. Phase IV research (onsite monitoring) will develop methods and initiate environmental monitoring for effects at the SRC-II demonstration facility and potential commercial sites. This document also describes industrial hygiene programs which must occur throughout SRC-II process development.

  17. ACRA-II

    Energy Science and Technology Software Center (OSTI)

    003089IBMPC00 ACRA-II: Kernel Integration Code System for Estimation of Radiation Doses Caused by a Hypothetical Reactor Accident

  18. Cori Phase II Preparations

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

    Announcements » Cori Phase II Preparations Cori Phase II Preparations May 9, 2016 by Rebecca Hartman-Baker We expect the first cabinets of Cori Phase II to arrive in CRT/Wang Hall on the LBL campus in July. NERSC personnel will immediately get to work on bringing the machine into production. Before the machine can be released to the NERSC user community, a number of tasks must be completed, some of which will have a direct impact on NERSC users. We've created the Cori Phase II Schedule page to

  19. Electronic and magnetic properties of Si substituted Fe3Ge

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

    Shanavas, Kavungal Veedu; McGuire, Michael A.; Parker, David S.

    2015-09-23

    Using first principles calculations we studied the effect of Si substitution in the hexagonal Fe3Ge. We find the low temperature magnetic anisotropy in this system to be planar and originating mostly from the spin-orbit coupling in Fe-d states. Reduction of the unitcell volume reduces the in-plane magnetic anisotropy, eventually turning it positive which reorients the magnetic moments to the axial direction. We find that substituting Ge with the smaller Si ions also reduces the anisotropy, potentially enhancing the region of stability of the axial magnetization, which is beneficial for magnetic applications. Thus our experimental measurements on samples of Fe3Ge1–xSix confirmmore » these predictions and show that substitution of about 6% of the Ge with Si increases by approximately 35 K the temperature range over which anisotropy is uniaxial.« less

  20. Mesoporous carbon materials

    DOE Patents [OSTI]

    Dai, Sheng; Wang, Xiqing

    2013-08-20

    The invention is directed to a method for fabricating a mesoporous carbon material, the method comprising subjecting a precursor composition to a curing step followed by a carbonization step, the precursor composition comprising: (i) a templating component comprised of a block copolymer, (ii) a phenolic compound or material, (iii) a crosslinkable aldehyde component, and (iv) at least 0.5 M concentration of a strong acid having a pKa of or less than -2, wherein said carbonization step comprises heating the precursor composition at a carbonizing temperature for sufficient time to convert the precursor composition to a mesoporous carbon material. The invention is also directed to a mesoporous carbon material having an improved thermal stability, preferably produced according to the above method.

  1. Mesoporous carbon materials

    DOE Patents [OSTI]

    Dai, Sheng; Wang, Xiqing

    2012-02-14

    The invention is directed to a method for fabricating a mesoporous carbon material, the method comprising subjecting a precursor composition to a curing step followed by a carbonization step, the precursor composition comprising: (i) a templating component comprised of a block copolymer, (ii) a phenolic compound or material, (iii) a crosslinkable aldehyde component, and (iv) at least 0.5 M concentration of a strong acid having a pKa of or less than -2, wherein said carbonization step comprises heating the precursor composition at a carbonizing temperature for sufficient time to convert the precursor composition to a mesoporous carbon material. The invention is also directed to a mesoporous carbon material having an improved thermal stability, preferably produced according to the above method.

  2. The TRUPACT-II Matrix Depleton Program

    SciTech Connect (OSTI)

    Connolly, M.J.; Djordjevic, S.M.; Loehr, C.A.; Smith, M.C.; Banjac, V.; Lyon, W.F.

    1995-12-01

    Contact-handled transuranic (CH-TRU) wastes will be shipped and disposed at the Waste Isolation Pilot Plant (WIPP) repository in the Transuranic Package Transporter-II (TRUPACT-II) shipping package. A primary transportation requirement for the TRUPACT-II is that the concentration of potentially flammable gases (i.e., hydrogen and methane) must not exceed 5 percent by volume in the package or the payload during a 60-day shipping period. Decomposition of waste materials by radiation, or radiolysis, is the predominant mechanism of gas generation during transport. The gas generation potential of a target waste material is characterized by a G-value, which is the number of molecules of gas generated per 100 eV of ionizing radiation absorbed by the target material. To demonstrate compliance with the flammable gas concentration requirement, theoretical worst-case calculations were performed to establish allowable wattage (decay heat) limits for waste containers. The calculations were based on the G-value for the waste material with the highest potential for flammable gas generation. The calculations also made no allowances for decreases of the G-value over time due to matrix depletion phenomena that have been observed by many experimenters. Matrix depletion occurs over time when an alpha-generating source particle alters the target material (by evaporation, reaction, or decomposition) into a material of lower gas generating potential. The net effect of these alterations is represented by the ``effective G-value.``

  3. Hydroxide Degradation Pathways for Substituted Benzyltrimethyl Ammonium: A DFT Study

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

    Long, Hai; Pivovar, Bryan S.

    2014-11-01

    The stability of cations used in the alkaline exchange membranes has been a major challenge. In this paper, degradation energy barriers were investigated by density functional theory for substituted benzyltrimethyl ammonium (BTMA+) cations. Findings show that electron-donating substituent groups at meta-position(s) of the benzyl ring could result in increased degradation barriers. However, after investigating more than thirty substituted BTMA+ cations, the largest improvement in degradation barrier found was only 6.7 kJ/mol. This suggests a modest (8×) improvement in stability for this type of approach may be possible, but for anything greater other approaches will need to be pursued.

  4. Materials Science

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

    Materials Science Materials Science National security depends on science and technology. The United States relies on Los Alamos National Laboratory for the best of both. No place on Earth pursues a broader array of world-class scientific endeavors. Materials Physics and Applications» Materials Science and Technology» Institute for Materials Science» Materials Science Rob Dickerson uses a state-of-the-art transmission electron microscope at the Electron Microscopy Laboratory managed by Los

  5. Magnetic properties of Ni substituted Y-type barium ferrite

    SciTech Connect (OSTI)

    Won, Mi Hee; Kim, Chul Sung

    2014-05-07

    Y-type barium hexaferrite is attractive material for various applications, such as high frequency antennas and RF devices, because of its interesting magnetic properties. Especially, Ni substituted Y- type hexaferrites have higher magnetic ordering temperature than other Y-type. We have investigated macroscopic and microscopic properties of Y-type barium hexaferrite. Ba{sub 2}Co{sub 2−x}Ni{sub x}Fe{sub 12}O{sub 22} (x = 0, 0.5, 1.0, 1.5, and 2.0) samples are prepared by solid-state reaction method and studied by X-ray diffraction (XRD), vibrating sample magnetometer, and Mössbauer spectroscopy, as well as a network analyzer for high frequency characteristics. The XRD pattern is analyzed by Rietveld refinement method and confirms the hexagonal structure with R-3m. The hysteresis curve shows ferrimagnetic behavior. Saturation magnetization (M{sub s}) decreases with Ni contents. Ni{sup 2+}, which preferentially occupies the octahedral site with up-spin sub-lattice, has smaller spin value S of 1 than Co{sup 2+} having S = 3/2. The zero-field-cooled (ZFC) measurement of Ba{sub 2}Co{sub 1.5}Ni{sub 0.5}Fe{sub 12}O{sub 22} shows that Curie and spin transition temperatures are found to be 718 K and 209 K, respectively. The Curie temperature T{sub C} is increased with Ni contents, while T{sub S} is decreased with Ni. The Mössbauer spectra were measured at various temperatures and fitted by using a least-squares method with six sextet of six Lorentzian lines for Fe sites, corresponding to the 3b{sub VI}, 6c{sub IV}*, 6c{sub VI}, 18h{sub VI}, 6c{sub IV}, and 3a{sub IV} sites at below T{sub C}. From Mössbauer measurements, we confirmed the spin state of Fe ion to be Fe{sup 3+} and obtained the isomer shift (δ), magnetic hyperfine field (H{sub hf}), and the occupancy ratio of Fe ions at six sub-lattices. The complex permeability and permittivity are measured between 100 MHz and 4 GHz, suggesting that Y-type barium hexaferrite is promising for antenna

  6. Alamos National Laboratory] Materials Science(36) Abstract Not...

    Office of Scientific and Technical Information (OSTI)

    Co-Design at the Mesoscale: Opportunities for NSLS-II Sarrao, John L. Los Alamos National Laboratory Materials Science(36) Abstract Not Provided Los Alamos National Laboratory...

  7. Vehicle Technologies Office Merit Review 2014: Multi-Material...

    Energy Savers [EERE]

    Vehicle Technologies Office Merit Review 2014: Multi-Material Lightweight Vehicles: Mach II Design Presentation given by VEHMA at 2014 DOE Hydrogen and Fuel Cells Program and ...

  8. Reference Materials

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

    Reference Materials Reference Materials Large Scale Computing and Storage Requirements for Biological and Environmental Research May 7-8, 2009 Invitation Workshop Invitation Letter...

  9. Reference Materials

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

    Reference Materials Reference Materials Large Scale Computing and Storage Requirements for Basic Energy Sciences February 9-10, 2010 Official DOE Invitation Workshop Invitation...

  10. Structural Materials

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

    Structural Materials Development enables advanced technologies through the discovery, development, and demonstration of cost-effective advanced structural materials for use in ...

  11. An unusual mono-substituted Keggin anion-chain based 3D framework with 24-membered macrocycles as linker units

    SciTech Connect (OSTI)

    Pang Haijun; Ma Huiyuan; Yu Yan; Yang Ming; Xun Ye; Liu Bo

    2012-02-15

    A new compound, [Cu{sup I}(H{sub 2}O)(Hbpp){sub 2}] Subset-Of {l_brace}[Cu{sup I}(bpp)]{sub 2}[PW{sub 11}Cu{sup II}O{sub 39}]{r_brace} (1) (bpp=1,3-bis(4-pyridyl)propane), has been hydrothermally synthesized and structurally characterized by single crystal X-ray diffraction. In compound 1, the unusual -A-B-A-B- array mono-substituted Keggin anion-chains and 24-membered (Cubpp){sub 2} cation-macrocycles are linked together to form a (2, 4) connected 3D framework with channels of ca. 9.784 Multiplication-Sign 7.771 A{sup 2} along two directions, in which the [Cu(H{sub 2}O)(Hbpp){sub 2}] coordination fragments as guest components are trapped. The photocatalytic experiments of compound 1 were performed, which show a good catalytic activity of compound 1 for photodegradation of RhB. Furthermore, the IR, TGA and electrochemical properties of compound 1 were investigated. - Graphical abstract: An unusual example of mono-substituted Keggin anion-chain based hybrid compound that possesses a 3D structure has been synthesized, which offers a feasible route for synthesis of such compounds. Highlights: Black-Right-Pointing-Pointer The first example of -A-B-A-B- array mono-substituted Keggin chain is observed. Black-Right-Pointing-Pointer An unusual three dimensional structure based mono-substituted Keggin anion-chains. Black-Right-Pointing-Pointer The photocatalysis and electrochemical properties of the title compound were studied.

  12. Energy substitution in US manufacturing: a regional approach

    SciTech Connect (OSTI)

    Harper, C.; Field, B.C.

    1983-10-01

    Elasticities of energy substitution estimated from region-specific models are reported for major two-digit manufacturing sectors using state cross section data for 1972-1973, years which were relatively stable preceding the oil-import embargo and large-scale inflation. 32 references, 3 figures.

  13. Redox chromophore compounds and electrodes of metal containing substituted bipyridines

    DOE Patents [OSTI]

    Elliott, Cecil M.; Redepenning, Jody G.

    1986-01-01

    Chromophoric compounds, each having a wide range of distinct color changes in response to changes in the oxidation states thereof, are provided in the form of polymerizable monomers, and polymers thereof, of certain metal containing, and electron group substituted, 2,2'-bipyridine compounds.

  14. material protection

    National Nuclear Security Administration (NNSA)

    %2A en Office of Weapons Material Protection http:www.nnsa.energy.govaboutusourprogramsnonproliferationprogramofficesinternationalmaterialprotectionandcooperation-1

  15. Materials Scientist

    Broader source: Energy.gov [DOE]

    Alternate Title(s):Materials Research Engineer; Metallurgical/Chemical Engineer; Product Development Manager;

  16. material protection

    National Nuclear Security Administration (NNSA)

    %2A en Office of Weapons Material Protection http:nnsa.energy.govaboutusourprogramsnonproliferationprogramofficesinternationalmaterialprotectionandcooperation-1

  17. Limon II | Open Energy Information

    Open Energy Info (EERE)

    II Jump to: navigation, search Name Limon II Facility Limon II Sector Wind energy Facility Type Commercial Scale Wind Facility Status In Service Owner NextEra Energy Resources...

  18. Preliminary PBFA II design

    SciTech Connect (OSTI)

    Johnson, D. L.; VanDevender, J. P.; Martin, T. H.

    1980-01-01

    The upgrade of Sandia National Laboratories particle beam fusion accelerator, PBFA I, to PBFA II presents several interesting and challenging pulsed power design problems. PBFA II requires increasing the PBFA I output parameters from 2 MV, 30 TW, 1 MJ to 4 MV, 100 TW, 3.5 MJ with the constraint of using much of the same PBFA I hardware. The increased PBFA II output will be obtained by doubling the number of modules (from 36 to 72), increasing the primary energy storage (from 4 MJ to 15 MJ), lowering the pulse forming line (PFL) output impedance, and adding a voltage doubling network.

  19. Substituted copper phthalocyanine/multiwalled carbon nanotubes hybrid material for Cl{sub 2} sensing application

    SciTech Connect (OSTI)

    Sharma, Anshul Kumar, E-mail: dramanmahajan@yahoo.co.in; Saini, Rajan, E-mail: dramanmahajan@yahoo.co.in; Singh, Rajinder, E-mail: dramanmahajan@yahoo.co.in; Mahajan, Aman, E-mail: dramanmahajan@yahoo.co.in; Bedi, R. K., E-mail: dramanmahajan@yahoo.co.in [Material Science Laboratory, Department of Physics, Guru Nanak Dev University, Amritsar-143005 (India); Aswal, D. K. [Technical Physics Division, Bhabha Atomic Research Center, Mumbai-400085 (India)

    2014-04-24

    In this work, hybrid of soluble copper phthalocyanine (CuPcOC{sub 8}) and functionalized multi-walled carbon nanotubes (MWCNTs) has been synthesized. The formation of CuPcOC{sub 8}-MWCNTs hybrid is confirmed by atomic force microscopy, UV-Visible and FTIR spectroscopy. Subsequently, a chemi-resistive sensor is fabricated by drop casting CuPcOC{sub 8}-MWCNTs hybrid onto glass substrate. It has been demonstrated that CuPcOC{sub 8}-MWCNTs hybrid is highly selective towards Cl{sub 2} gas with minimum detection limit of 100 ppb. The response of sensor increases linearly with increase in the concentration of Cl{sub 2} gas. For 2000 ppb of Cl{sub 2}, CuPcOC{sub 8}-MWCNTs hybrid gives a response as large as 53% in 40 seconds.

  20. Can Vanadium Be Substituted into LiFePO[subscript 4]?

    SciTech Connect (OSTI)

    Omenya, Fredrick; Chernova, Natasha A.; Upreti, Shailesh; Zavalij, Peter Y.; Nam, Kyung-Wan; Yang, Xiao-Qing; Whittingham, M. Stanley

    2015-10-15

    Vanadium is shown to substitute for iron in the olivine LiFePO{sub 4} up to at least 10 mol %, when the synthesis is carried out at 550 C. In the solid solution LiFe{sub 1-3y/2}V{sub y}PO{sub 4}, the a and b lattice parameters and cell volume decrease with increasing vanadium content, while the c lattice parameter increases slightly. However, when the synthesis is performed at 650 C, a NASICON phase, Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}, is also formed, showing that solid solution is a function of the synthesis temperature. X-ray absorption near-edge structure indicates vanadium is in the 3+ oxidation state and in an octahedral environment. Magnetic studies reveal a shift of the antiferromagnetic ordering transition toward lower temperatures with increasing vanadium substitution, confirming solid solution formation. The addition of vanadium enhances the electrochemical performance of the materials especially at high current densities.

  1. Luz II | Open Energy Information

    Open Energy Info (EERE)

    II Jump to: navigation, search Name: Luz II Place: Jerusalem, Israel Zip: 91450 Sector: Solar Product: Jerusalem-based utility-scale solar power plant developer. Coordinates:...

  2. _Part II - Contract Clauses

    National Nuclear Security Administration (NNSA)

    M0572 dated 3215 Contract DE-AC04-94AL85000 Modification No. M202 Page I - 1 Part II - Contract Clauses Section I TABLE OF CONTENTS 1. FAR 52.202-1 DEFINITIONS (JAN 2012)...

  3. Network II Database

    Energy Science and Technology Software Center (OSTI)

    1994-11-07

    The Oak Ridge National Laboratory (ORNL) Rail and Barge Network II Database is a representation of the rail and barge system of the United States. The network is derived from the Federal Rail Administration (FRA) rail database.

  4. Reference Materials

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

    Reference Materials Reference Materials Large Scale Computing and Storage Requirements for Basic Energy Sciences February 9-10, 2010 Official DOE Invitation Workshop Invitation Letter from DOE Associate Directors Last edited: 2016-04-29 11:35:05

  5. Materials Characterization

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

    Materials Characterization Researchers in the Materials Characterization Research competency conduct studies of both natural and engineered materials from the micropore (nanometers) to macropore (meters) scale. Research includes, but is not limited to, thermal, chemical, mechanical, and structural (nano to macro) interactions and processes with regard to natural and engineered materials. The primary research investigation tools include SEM, XRD, micro XRD, core logging, medical CT, industrial

  6. Proximity-induced magnetism in transition-metal substituted graphene

    SciTech Connect (OSTI)

    Crook, Charles B.; Constantin, Costel; Ahmed, Towfiq; Zhu, Jian -Xin; Balatsky, Alexander V.; Haraldsen, Jason T.

    2015-08-03

    We investigate the interactions between two identical magnetic impurities substituted into a graphene superlattice. Using a first-principles approach, we calculate the electronic and magnetic properties for transition-metal substituted graphene systems with varying spatial separation. These calculations are compared for three different magnetic impurities, manganese, chromium, and vanadium. We determine the electronic band structure, density of states, and Millikan populations (magnetic moment) for each atom, as well as calculate the exchange parameter between the two magnetic atoms as a function of spatial separation. We find that the presence of magnetic impurities establishes a distinct magnetic moment in the graphene lattice, where the interactions are highly dependent on the spatial and magnetic characteristic between the magnetic and carbon atoms, which leads to either ferromagnetic or antiferromagnetic behavior. Furthermore, through an analysis of the calculated exchange energies and partial density of states, it is determined that interactions between the magnetic atoms can be classified as an RKKY interaction.

  7. Carboxy, carboalkoxy and carbamile substituted isonitrile radionuclide complexes

    DOE Patents [OSTI]

    Jones, Alun G.; Davison, Alan; Kronauge, James; Abrams, Michael J.

    1988-04-05

    A coordination complex comprising a radionuclide selected from the class consisting of radioactive isotopes of Tc, Ru, Co, Pt and Re and an isonitrile ligand of the formula: (CNX)R, where X is a lower alkyl group having 1 to 4 carbon atoms, wherein R is selected from the group consisting of COOR.sup.1 and CONR.sup.2 R.sup.3 where R.sup.1 can be H, a pharmaceutically acceptable cation, or a substituted or unsubstituted alkyl group having 1 to 4 carbon atoms, R.sup.2, and R.sup.3 can be H, or a substituted or unsubstituted alkyl group having 1 to 4 carbon atoms, and R.sup.2 and R.sup.3 can be the same or different is disclosed. Kits that can be used to form these complexes are also disclosed.

  8. Carboxy, carboalkoxy and carbamile substituted isonitrile radionuclide complexes

    DOE Patents [OSTI]

    Jones, Alun G.; Davison, Alan; Kronauge, James; Abrams, Michael J.

    1989-01-01

    A coordination complex comprising a radionuclide selected from the class consisting of radioactive isotopes of Tc, Ru, Co, Pt and Re and an isonitrile ligand of the formula: (CNX)R, where X is a lower alkyl group having 1 to 4 carbon atoms, wherein R is selected from the group consisting of COOR.sup.1 and CONR.sup.2 R.sup.3 where R.sup.1 can be H, a pharmaceutically acceptable cation, or a substituted or unsubstituted alkyl group having 1 to 4 carbon atoms. R.sup.2, and R.sup.3 can be H, or a substituted or unsubstituted alkyl group having 1 to 4 carbon atoms, and R.sup.2 and R.sup.3 can be the same of different is disclosed. Kits that can be used to form these complexes are also disclosed.

  9. Substituted 6-nitroquipazines, methods of preparation, and methods of use

    DOE Patents [OSTI]

    Mathis, Jr., Chester A.; Biegon, Anat; Taylor, Scott E.; Enas, Joel D.

    1994-01-01

    Disclosed is a substituted 6-nitroquipazine of the formula ##STR1## wherein R.sub.1, R.sub.2, R.sub.3, and R.sub.4 are each selected from the group consisting of H, Fl, CL, Br, I, CF.sub.3, CH.sub.2 CH.sub.2 F, CH.sub.3, CH.sub.2 CH.sub.3, and --CH(CH.sub.3).sub.2, and wherein one of R.sub.1, R.sub.2, R.sub.3, and R.sub.4 is other than H. Also disclosed is a method for measurement of serotonin uptake sites in a sample, in which a radioligand is incubated with a sample and then the radioactivity of the radioligand bound to the sample is determined, utilizing a radio labeled substituted 6-nitroquipazine as the radioligand. Also disclosed is a method of manufacture and method of use.

  10. Enhancement in magnetic properties of magnesium substituted bismuth ferrite nanoparticles

    SciTech Connect (OSTI)

    Xu, Jianlong; Xie, Dan E-mail: RenTL@mail.tsinghua.edu.cn; Teng, Changjiu; Zhang, Xiaowen; Zhang, Cheng; Sun, Yilin; Ren, Tian-Ling E-mail: RenTL@mail.tsinghua.edu.cn; Zeng, Min; Gao, Xingsen; Zhao, Yonggang

    2015-06-14

    We report a potential way to effectively improve the magnetic properties of BiFeO{sub 3} (BFO) nanoparticles through Mg{sup 2+} ion substitution at the Fe-sites of BFO lattice. The high purity and structural changes induced by Mg doping are confirmed by X-ray powder diffractometer and Raman spectra. Enhanced magnetic properties are observed in Mg substituted samples, which simultaneously exhibit ferromagnetic and superparamagnetic properties at room temperature. A physical model is proposed to support the observed ferromagnetism of Mg doped samples, and the superparamagnetic properties are revealed by the temperature dependent magnetization measurements. The improved magnetic properties and soft nature obtained by Mg doping in BFO nanoparticles demonstrate the possibility of BFO nanoparticles to practical applications.

  11. Ti-substituted tunnel-type Na0.44MnO2 oxide as a negative electrode for aqueous sodium-ion batteries

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

    Wang, Yuesheng; Liu, Jue; Lee, Byungju; Qiao, Ruimin; Yang, Zhenzhong; Xu, Shuyin; Yu, Xiqian; Gu, Lin; Hu, Yong-Sheng; Yang, Wanli; et al

    2015-03-25

    The aqueous sodium-ion battery system is a safe and low-cost solution for large-scale energy storage, due to the abundance of sodium and inexpensive aqueous electrolytes. Although several positive electrode materials, e.g., Na0.44MnO2, were proposed, few negative electrode materials, e.g., activated carbon and NaTi2(PO4)3, are available. Here we show that Ti-substituted Na0.44MnO2 (Na0.44[Mn1-xTix]O2) with tunnel structure can be used as a negative electrode material for aqueous sodium-ion batteries. This material exhibits superior cyclability even without the special treatment of oxygen removal from the aqueous solution. Atomic-scale characterizations based on spherical aberration-corrected electron microscopy and ab initio calculations are utilized to accuratelymore » identify the Ti substitution sites and sodium storage mechanism. Ti substitution tunes the charge ordering property and reaction pathway, significantly smoothing the discharge/charge profiles and lowering the storage voltage. Both the fundamental understanding and practical demonstrations suggest that Na0.44[Mn1-xTix]O2 is a promising negative electrode material for aqueous sodium-ion batteries.« less

  12. Materials Physics | Materials Science | NREL

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

    Physics A photo of laser light rays going in various directions atop a corrugated metal substrate In materials physics, NREL focuses on realizing materials that transcend the present constraints of photovoltaic (PV) and solid-state lighting technologies. Through materials growth and characterization, coupled with theoretical modeling, we seek to understand and control fundamental electronic and optical processes in semiconductors. Capabilities Optimizing New Materials An illustration showing

  13. Older Public Presentations | Critical Materials Institute

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

    Older Public Presentations CMI leaders and scientists have given public presentations about rare earths and critical materials. Here are a few of their older presentations. CMI Kickoff Meeting Plenary Sessions, September 2013: Alex King, director: CMI Welcome Karl Gschneidner, chief science officer: CMI Overview Bruce Moyer, leader for Diversifying Supply Adam Schwartz, leader for Developing Substitutes Eric Peterson, leader for Improving Reuse and Recycling Tom Lograsso, leader for Crosscutting

  14. ARM - RHUBC II Science Objectives

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

    Objectives Related Links RHUBC-II Home RHUBC Home ARM Field Campaigns Home ARM Data Discovery Browse Data Deployment Instruments Science Team RHUBC-II Wiki Site Tour News RHUBC-II Backgrounder (PDF, 300K) News & Press Images Experiment Planning RHUBC-II Proposal Abstract Science Plan (PDF, 267KB) Science Objectives Contacts Eli Mlawer, Principal Investigator Dave Turner, Principal Investigator RHUBC II Science Objectives To conduct clear-sky radiative closure studies in order to reduce the

  15. ARM - RHUBC II Science Team

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

    Team Related Links RHUBC-II Home RHUBC Home ARM Field Campaigns Home ARM Data Discovery Browse Data Deployment Instruments Science Team RHUBC-II Wiki Site Tour News RHUBC-II Backgrounder (PDF, 300K) News & Press Images Experiment Planning RHUBC-II Proposal Abstract Science Plan (PDF, 267KB) Science Objectives Contacts Eli Mlawer, Principal Investigator Dave Turner, Principal Investigator RHUBC II Science Team Principal Investigators Eli Mlawer, Atmospheric & Environmental Research, Inc.

  16. About APPLE II Operation

    SciTech Connect (OSTI)

    Schmidt, T.; Zimoch, D.

    2007-01-19

    The operation of an APPLE II based undulator beamline with all its polarization states (linear horizontal and vertical, circular and elliptical, and continous variation of the linear vector) requires an effective description allowing an automated calculation of gap and shift parameter as function of energy and operation mode. The extension of the linear polarization range from 0 to 180 deg. requires 4 shiftable magnet arrrays, permitting use of the APU (adjustable phase undulator) concept. Studies for a pure fixed gap APPLE II for the SLS revealed surprising symmetries between circular and linear polarization modes allowing for simplified operation. A semi-analytical model covering all types of APPLE II and its implementation will be presented.

  17. Effect of isoelectronic substitution on phase transition and...

    Office of Scientific and Technical Information (OSTI)

    Key Laboratory of Aerospace Materials and Performance (Ministry of Education), School of Materials Science and Engineering, Beihang University, Beijing 100191 (China) Publication ...

  18. Composite materials formed with anchored nanostructures

    DOE Patents [OSTI]

    Seals, Roland D; Menchhofer, Paul A; Howe, Jane Y; Wang, Wei

    2015-03-10

    A method of forming nano-structure composite materials that have a binder material and a nanostructure fiber material is described. A precursor material may be formed using a mixture of at least one metal powder and anchored nanostructure materials. The metal powder mixture may be (a) Ni powder and (b) NiAl powder. The anchored nanostructure materials may comprise (i) NiAl powder as a support material and (ii) carbon nanotubes attached to nanoparticles adjacent to a surface of the support material. The process of forming nano-structure composite materials typically involves sintering the mixture under vacuum in a die. When Ni and NiAl are used in the metal powder mixture Ni.sub.3Al may form as the binder material after sintering. The mixture is sintered until it consolidates to form the nano-structure composite material.

  19. Scintillator material

    DOE Patents [OSTI]

    Anderson, D.F.; Kross, B.J.

    1992-07-28

    An improved scintillator material comprising cerium fluoride is disclosed. Cerium fluoride has been found to provide a balance of good stopping power, high light yield and short decay constant that is superior to known scintillator materials such as thallium-doped sodium iodide, barium fluoride and bismuth germanate. As a result, cerium fluoride is favorably suited for use as a scintillator material in positron emission tomography. 4 figs.

  20. Scintillator material

    DOE Patents [OSTI]

    Anderson, D.F.; Kross, B.J.

    1994-06-07

    An improved scintillator material comprising cerium fluoride is disclosed. Cerium fluoride has been found to provide a balance of good stopping power, high light yield and short decay constant that is superior to known scintillator materials such as thallium-doped sodium iodide, barium fluoride and bismuth germanate. As a result, cerium fluoride is favorably suited for use as a scintillator material in positron emission tomography. 4 figs.

  1. Scintillator material

    DOE Patents [OSTI]

    Anderson, David F.; Kross, Brian J.

    1992-01-01

    An improved scintillator material comprising cerium fluoride is disclosed. Cerium fluoride has been found to provide a balance of good stopping power, high light yield and short decay constant that is superior to known scintillator materials such as thallium-doped sodium iodide, barium fluoride and bismuth germanate. As a result, cerium fluoride is favorably suited for use as a scintillator material in positron emission tomography.

  2. Scintillator material

    DOE Patents [OSTI]

    Anderson, David F.; Kross, Brian J.

    1994-01-01

    An improved scintillator material comprising cerium fluoride is disclosed. Cerium fluoride has been found to provide a balance of good stopping power, high light yield and short decay constant that is superior to known scintillator materials such as thallium-doped sodium iodide, barium fluoride and bismuth germanate. As a result, cerium fluoride is favorably suited for use as a scintillator material in positron emission tomography.

  3. 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.

  4. material recovery

    National Nuclear Security Administration (NNSA)

    dispose of dangerous nuclear and radiological material, and detect and control the proliferation of related WMD technology and expertise.

  5. Functional Materials

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

    Testing of materials under ideal and realistic process conditions such as those found in coal-fired power plant and integrated gasification combined cycle fuel gas. Performance ...

  6. Reference Materials

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

    Reference Materials Reference Materials Large Scale Computing and Storage Requirements for Advanced Scientific Computing Research January 5-6, 2011 Official DOE Invitation Workshop Invitation Letter from DOE Associate Directors NERSC Documents NERSC science requirements home page NERSC science requirements workshop page NERSC science requirements case study FAQ Previous NERSC Requirements Workshops Biological and Environmental Research (BER) Basic Energy Sciences (BES) Fusion Energy Sciences

  7. Reference Materials

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

    Reference Materials Reference Materials Large Scale Computing and Storage Requirements for Biological and Environmental Research May 7-8, 2009 Invitation Workshop Invitation Letter from DOE Associate Directors Workshop Invitation Letter from DOE ASCR Program Manager Yukiko Sekine Last edited: 2016-04-29 11:34:54

  8. NdCo substituted strontium hexaferrite powders with enhanced coercivity

    SciTech Connect (OSTI)

    Herme, C.A.; Bercoff, P.G.; Jacobo, S.E.

    2012-11-15

    Graphical abstract: Display Omitted Highlights: ? Sr{sub 1?x}Nd{sub x}Fe{sub 11?x}Co{sub x}O{sub 19} was prepared by solgel auto-combustion method with 0 ? x ? 0.4. ? Coercivity increases 11% with 0.2 NdCo substitution, reaching a value of 68.9 A/m. ? The appearance of two magnetic orderings is noticed in susceptibility measurements. ? This is supported by Curie temperature and susceptibility data. -- Abstract: In this work we report the synthesis of NdCo substituted strontium hexaferrites of composition Sr{sub 1?x}Nd{sub x}Fe{sub 11?x}Co{sub x}O{sub 19} by the solgel auto-combustion method with further heat treatment. The analysis of the X-ray diffraction spectra shows the M-type hexagonal structure in samples treated at 1100 C for 2 h. Coercivity increases 11% with 0.2 NdCo substitution, reaching a value of 68.9 A/m (5480 Oe) while saturation magnetization is reduced 6% to 91 A m{sup 2}/kg (91 emu/g). The behavior of magnetic susceptibility with an applied field shows two different maxima which are assigned to different magnetic orderings. This assumption is supported by the appearance of two experimental values of Curie temperatures (T{sub C}) for all the prepared samples. Magnetic susceptibility ? and T{sub C} measurements suggest an uneven distribution of the iron vacancies.

  9. Cermet materials

    DOE Patents [OSTI]

    Kong, Peter C.

    2008-12-23

    A self-cleaning porous cermet material, filter and system utilizing the same may be used in filtering particulate and gaseous pollutants from internal combustion engines having intermetallic and ceramic phases. The porous cermet filter may be made from a transition metal aluminide phase and an alumina phase. Filler materials may be added to increase the porosity or tailor the catalytic properties of the cermet material. Additionally, the cermet material may be reinforced with fibers or screens. The porous filter may also be electrically conductive so that a current may be passed therethrough to heat the filter during use. Further, a heating element may be incorporated into the porous cermet filter during manufacture. This heating element can be coated with a ceramic material to electrically insulate the heating element. An external heating element may also be provided to heat the cermet filter during use.

  10. Composite material

    DOE Patents [OSTI]

    Hutchens, Stacy A.; Woodward, Jonathan; Evans, Barbara R.; O'Neill, Hugh M.

    2012-02-07

    A composite biocompatible hydrogel material includes a porous polymer matrix, the polymer matrix including a plurality of pores and providing a Young's modulus of at least 10 GPa. A calcium comprising salt is disposed in at least some of the pores. The porous polymer matrix can comprise cellulose, including bacterial cellulose. The composite can be used as a bone graft material. A method of tissue repair within the body of animals includes the steps of providing a composite biocompatible hydrogel material including a porous polymer matrix, the polymer matrix including a plurality of pores and providing a Young's modulus of at least 10 GPa, and inserting the hydrogel material into cartilage or bone tissue of an animal, wherein the hydrogel material supports cell colonization in vitro for autologous cell seeding.

  11. Materials Discovery | Materials Science | NREL

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

    Discovery Images of red and yellow particles NREL's research in materials discovery serves as a foundation for technological progress in renewable energies. Our experimental activities in inorganic solid-state materials innovation span a broad range of technological readiness levels-from basic science through applied research to device development-relying on a high-throughput combinatorial materials science approach, followed by traditional targeted experiments. In addition, our researchers work

  12. Gas permeability measurements for film envelope materials

    DOE Patents [OSTI]

    Ludtka, G.M.; Kollie, T.G.; Watkin, D.C.; Walton, D.G.

    1998-05-12

    Method and apparatus for measuring the permeability of polymer film materials such as used in super-insulation powder-filled evacuated panels (PEPs) reduce the time required for testing from several years to weeks or months. The method involves substitution of a solid non-outgassing body having a free volume of between 0% and 25% of its total volume for the usual powder in the PEP to control the free volume of the ``body-filled panel.`` Pressure versus time data for the test piece permit extrapolation to obtain long term performance of the candidate materials. 4 figs.

  13. Gas permeability measurements for film envelope materials

    DOE Patents [OSTI]

    Ludtka, Gerard M.; Kollie, Thomas G.; Watkin, David C.; Walton, David G.

    1998-01-01

    Method and apparatus for measuring the permeability of polymer film materials such as used in super-insulation powder-filled evacuated panels (PEPs) reduce the time required for testing from several years to weeks or months. The method involves substitution of a solid non-outgassing body having a free volume of between 0% and 25% of its total volume for the usual powder in the PEP to control the free volume of the "body-filled panel". Pressure versus time data for the test piece permit extrapolation to obtain long term performance of the candidate materials.

  14. NMMSS II Training | National Nuclear Security Administration | (NNSA)

    National Nuclear Security Administration (NNSA)

    NMMSS II Training U.S. Department of Energy / U.S. Nuclear Regulatory Commission Nuclear Materials Management & Safeguards System NMMSS II Training The three-day workshop includes advanced NMMSS topics and is designed for experienced NMMSS users. Workshop topics include: - use of TI codes, To Accounts, and For Accounts - compatibility errors - imports/exports - calculating weight percent and acceptability limits - shipper/receiver differences - Department of Defense (DoD) and Mutual Defense

  15. Proximity-induced magnetism in transition-metal substituted graphene

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

    Crook, Charles B.; Constantin, Costel; Ahmed, Towfiq; Zhu, Jian -Xin; Balatsky, Alexander V.; Haraldsen, Jason T.

    2015-08-03

    We investigate the interactions between two identical magnetic impurities substituted into a graphene superlattice. Using a first-principles approach, we calculate the electronic and magnetic properties for transition-metal substituted graphene systems with varying spatial separation. These calculations are compared for three different magnetic impurities, manganese, chromium, and vanadium. We determine the electronic band structure, density of states, and Millikan populations (magnetic moment) for each atom, as well as calculate the exchange parameter between the two magnetic atoms as a function of spatial separation. We find that the presence of magnetic impurities establishes a distinct magnetic moment in the graphene lattice, wheremore » the interactions are highly dependent on the spatial and magnetic characteristic between the magnetic and carbon atoms, which leads to either ferromagnetic or antiferromagnetic behavior. Furthermore, through an analysis of the calculated exchange energies and partial density of states, it is determined that interactions between the magnetic atoms can be classified as an RKKY interaction.« less

  16. Structure and electrochemical properties of nanometer Cu substituted ?-nickel hydroxide

    SciTech Connect (OSTI)

    Bao, Jie; Zhu, Yanjuan; Zhang, Zhongju; Xu, Qingsheng; Zhao, Weiren; Chen, Jian; Zhang, Wei; Han, Quanyong

    2013-02-15

    Graphical abstract: Display Omitted Highlights: ? Cu substituted ?-nickel hydroxide was prepared by ultrasonic assisted precipitation. ? The XRD peaks are anisotropic broadening. ? The electrode for 0.9 wt.% Cu has the highest capacity of 310 mAh/g at 0.2 C. -- Abstract: Nanometer Cu-substituted ?-nickel hydroxide was synthesized by means of ultrasonic-assisted precipitation. Particle size distribution (PSD) measurement, X-ray diffraction (XRD), and high-resolution transmission electron microscope (HR-TEM) were used to characterize the physical properties of the synthesized samples. The results indicate that the average particle size of the samples is about 96110 nm and the XRD diffraction peaks are anisotropic broadening. The crystal grains are mainly polycrystal structure with columnar or needle-like morphology, containing many defects. With increase of Cu content, the shape of primary particles transform from columnar to needle-like. The influences of doping amounts of Cu on the electrochemical performance were investigated through constant current charge/discharge and cyclic voltammetric measurements. The specific capacity increases initially and then decreases with increasing Cu-doping ratio, the electrode C containing 0.9 wt.% Cu shows the maximum discharge capacity of 310 mAh/g at 0.2 C, and it has the lowest charging voltage, higher discharge voltage plateau, better cycle performance and larger proton diffusion coefficient than the other electrodes.

  17. Green Dream II

    SciTech Connect (OSTI)

    2010-07-07

    This case study describes construction of a high-performance home in New Orleans designed to withstand 130 mph winds and built with flood-recoverable materials.

  18. material removal

    National Nuclear Security Administration (NNSA)

    %2A en Nuclear Material Removal http:www.nnsa.energy.govaboutusourprogramsdnnm3remove

    Pag...

  19. Complex Materials

    ScienceCinema (OSTI)

    Cooper, Valentino

    2014-05-23

    Valentino Cooper uses some of the world's most powerful computing to understand how materials work at subatomic levels, studying breakthroughs such as piezoelectrics, which convert mechanical stress to electrical energy.

  20. material removal

    National Nuclear Security Administration (NNSA)

    %2A en Nuclear Material Removal http:nnsa.energy.govaboutusourprogramsdnnm3remove

    Page...

  1. Ribosomal Database Project II

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

    The Ribosomal Database Project (RDP) provides ribosome related data and services to the scientific community, including online data analysis and aligned and annotated Bacterial small-subunit 16S rRNA sequences. As of March 2008, RDP Release 10 is available and currently (August 2009) contains 1,074,075 aligned 16S rRNA sequences. Data that can be downloaded include zipped GenBank and FASTA alignment files, a histogram (in Excel) of the number of RDP sequences spanning each base position, data in the Functional Gene Pipeline Repository, and various user submitted data. The RDP-II website also provides numerous analysis tools.[From the RDP-II home page at http://rdp.cme.msu.edu/index.jsp

  2. Reference Materials

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

    Reference Materials Reference Materials Large Scale Computing and Storage Requirements for Fusion Energy Sciences August 3-4, 2010 Official DOE Invitation Workshop Invitation Letter from DOE Associate Directors [not available] NERSC Documents NERSC science requirements home page NERSC science requirements workshop page NERSC science requirements case study FAQ Workshop Agenda Previous NERSC Requirements Workshops Biological and Environmental Research (BER) Basic Energy Sciences (BES) Fusion

  3. Reference Materials

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

    Reference Materials Reference Materials Large Scale Computing and Storage Requirements for High Energy Physics November 12-13, 2009 Official DOE Invitation Workshop Invitation Letter from DOE Associate Directors NERSC Documents NERSC science requirements home page NERSC science requirements workshop page NERSC science requirements case study FAQ Workshop Agenda Previous NERSC Requirements Workshops Biological and Environmental Research (BER) Basic Energy Sciences (BES) Fusion Energy Sciences

  4. Propulsion materials

    SciTech Connect (OSTI)

    Wall, Edward J.; Sullivan, Rogelio A.; Gibbs, Jerry L.

    2008-01-01

    The Department of Energy’s (DOE’s) Office of Vehicle Technologies (OVT) is pleased to introduce the FY 2007 Annual Progress Report for the Propulsion Materials Research and Development Program. Together with DOE national laboratories and in partnership with private industry and universities across the United States, the program continues to engage in research and development (R&D) that provides enabling materials technology for fuel-efficient and environmentally friendly commercial and passenger vehicles.

  5. Meeting Materials

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

    HEP Meeting Materials Meeting Materials Here you will find various items to be used before and during the requirements review. The following documents are included: Case study worksheet to be filled in by meeting participants Sample of a completed case study from a Nuclear Physics requirements workshop held in 2011 A graph of NERSC and HEP usage as a function of time A powerpoint template you can use at the requirements review Downloads CaseStudyTemplate.docx | unknown Case Study Worksheet -

  6. Engineered Materials

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

    7 Engineered Materials Materials design, fabrication, assembly, and characterization for national security needs. Contact Us Group Leader (Acting) Kimberly Obrey Email Deputy Group Leader Dominic Peterson Email Group Office (505)-667-6887 We perform polymer science and engineering, including ultra-precision target design, fabrication, assembly, characterization, and field support. We perform polymer science and engineering, including ultra-precision target design, fabrication, assembly,

  7. _Part II - Contract Clauses

    National Nuclear Security Administration (NNSA)

    09/30/2015 to Mod 0588 Contract DE-AC04-94AL85000 Modification No. M202 Page I - 1 Part II - Contract Clauses Section I TABLE OF CONTENTS 1. FAR 52.202-1 DEFINITIONS (JAN 2012) (REPLACED M473) ............................................................. 8 2. FAR 52.203-3 GRATUITIES (APR 1984) ................................................................................................. 8 3. FAR 52.203-5 COVENANT AGAINST CONTINGENT FEES (APR 1984) ........................................... 9

  8. MS, II-J

    Office of Legacy Management (LM)

    I' ; ,' Departm&th of Energy 1 MS, II-J Washington. DC 20585 ' . I I The Honorable John Gallagher ,)fl', /',' ' 103 E. Michigan Avenue .i., ,.' Battle Creek, Michigan 49016 _. Dear Mayor Gallagheri d,---, " '/ approachto openness i.n: with the: public. In (FUSRAP)i.is responsible agencies, determining ~author~ity, performing remedial action to cleanup sites to meet current radiological protection requirements.. A conservative set of technical evaluation guidelines is used in these

  9. Section II INT

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

    6/14/11 Page 1 of 9 Printed copies of this document are uncontrolled. Retrieve latest version electronically. SANDIA CORPORATION SF 6432-IN (06/14/11) SECTION II GENERAL PROVISIONS FOR INTERNATIONAL COMMERCIAL TRANSACTIONS THE FOLLOWING CLAUSES APPLY TO THIS CONTRACT AS INDICATED UNLESS SPECIFICALLY DELETED, OR EXCEPT TO THE EXTENT THEY ARE SPECIFICALLY SUPPLEMENTED OR AMENDED IN WRITING IN THE SIGNATURE PAGE OR SECTION I OF THIS CONTRACT. IN01 ACCEPTANCE OF TERMS AND CONDITIONS This Contract

  10. Enclosure II June

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

    Enclosure II June 10,2010 Hanford Radiological Health and Safety Document 1 Forward The Richland Operations Office and the Office of River Protection have established a supplemental set of contractual requirements and an expectation that the contractor organizations establish the mechanisms necessary to maintain site consistency, optimize site-wide radiological programs to provide an overall benefit to the government, and support DOE in the management oflong-term risks relative to radiological

  11. Ashtabula II Wind Farm | Open Energy Information

    Open Energy Info (EERE)

    II Wind Farm Jump to: navigation, search Name Ashtabula II Wind Farm Facility Ashtabula II Sector Wind energy Facility Type Commercial Scale Wind Facility Status In Service Owner...

  12. Heber II Geothermal Facility | Open Energy Information

    Open Energy Info (EERE)

    Heber II Geothermal Facility Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Heber II Geothermal Facility General Information Name Heber II Geothermal Facility...

  13. Kibby Mountain II | Open Energy Information

    Open Energy Info (EERE)

    Kibby Mountain II Jump to: navigation, search Name Kibby Mountain II Facility Kibby Mountain II Sector Wind energy Facility Type Commercial Scale Wind Facility Status Under...

  14. Papalote Creek II | Open Energy Information

    Open Energy Info (EERE)

    Papalote Creek II Jump to: navigation, search Name Papalote Creek II Facility Papalote Creek II Sector Wind energy Facility Type Commercial Scale Wind Facility Status In Service...

  15. Marengo II Wind Farm | Open Energy Information

    Open Energy Info (EERE)

    II Wind Farm Jump to: navigation, search Name Marengo II Wind Farm Facility Marengo II Sector Wind energy Facility Type Commercial Scale Wind Facility Status In Service Owner...

  16. Springview II Wind Project | Open Energy Information

    Open Energy Info (EERE)

    Springview II Wind Project Jump to: navigation, search Name Springview II Wind Project Facility Springview II Wind Project Sector Wind energy Facility Type Commercial Scale Wind...

  17. Meadow Lake II | Open Energy Information

    Open Energy Info (EERE)

    II Jump to: navigation, search Name Meadow Lake II Facility Meadow Lake II Sector Wind energy Facility Type Commercial Scale Wind Facility Status In Service Owner Horizon Wind...

  18. Klondike II Wind Farm | Open Energy Information

    Open Energy Info (EERE)

    Klondike II Wind Farm Jump to: navigation, search Name Klondike II Wind Farm Facility Klondike II Sector Wind energy Facility Type Commercial Scale Wind Facility Status In Service...

  19. Vansycle Ridge II | Open Energy Information

    Open Energy Info (EERE)

    Vansycle Ridge II Jump to: navigation, search Name Vansycle Ridge II Facility Vansycle Ridge II Sector Wind energy Facility Type Commercial Scale Wind Facility Status In Service...

  20. Carleton College II | Open Energy Information

    Open Energy Info (EERE)

    Carleton College II Jump to: navigation, search Name Carleton College II Facility Carleton College II Sector Wind energy Facility Type Commercial Scale Wind Facility Status In...

  1. Little Pringle II | Open Energy Information

    Open Energy Info (EERE)

    II Jump to: navigation, search Name Little Pringle II Facility Little Pringle II Sector Wind energy Facility Type Commercial Scale Wind Facility Status In Service Owner SWI Wind...

  2. Enhanced O2 selectivity versus N2 by partial metal substitution in Cu-BTC

    SciTech Connect (OSTI)

    Sava Gallis, Dorina F.; Parkes, Marie V.; Greathouse, Jeffery A.; Zhang, Xiaoyi; Nenoff, Tina M.

    2015-03-05

    Here we describe the homogeneous substitution of Mn, Fe and Co at various levels into a prototypical metal-organic framework (MOF), namely Cu-BTC (HKUST-1), and the effect of that substitution on preferential gas sorption. Using a combination of density functional theory (DFT) calculations, postsynthetic metal substitutions, materials characterization, and gas sorption testing, we demonstrate that the identity of the metal ion has a quantifiable effect on their oxygen and nitrogen sorption properties at cryogenic temperatures. An excellent correlation is found between O2/N2 selectivities determined experimentally at 77 K and the difference in O2 and N2 binding energies calculated from DFT modeling data: Mn > Fe > Co > Cu. Room temperature gas sorption studies were also performed and correlated with metal substitution. The Fe-exchanged sample shows a significantly higher nitrogen isosteric heat of adsorption at temperatures close to ambient conditions (273 K - 298 K) as compared to all other metals studied, indicative of favorable interactions between N2 and coordinatively unsaturated Fe metal centers. Furthermore, differences in gas adsorption results at cryogenic and room temperatures are evident; they are explained by comparing experimental results with DFT binding energies (0 K) and room temperature Grand Canonical Monte Carlo simulations.

  3. Meet CMI Researcher Tom Lograsso | Critical Materials Institute

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

    Tom Lograsso CMI focus area leader Tom Lograsso CMI Researcher Thomas Lograsso leads Focus Area 2, Developing Substitutes. He started this role in May 2014. Previously he led Focus Area 4, Crosscutting Research while serving as the interim director of The Ames Laboratory. Also at Ames Lab, Tom leads a BES Synthesis & Processing effort on Novel Materials Preparation and Processing Methodology, whose goal is to develop synthesis protocols for new materials including quasicrystals,

  4. Increasing Access to Materials Critical to the Clean Energy Economy |

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

    Department of Energy Access to Materials Critical to the Clean Energy Economy Increasing Access to Materials Critical to the Clean Energy Economy January 9, 2013 - 12:30pm Addthis Europium, a rare earth element that has the same relative hardness of lead, is used to create fluorescent lightbulbs. With no proven substitutes, europium is considered critical to the clean energy economy. | Photo courtesy of the Ames Laboratory. Europium, a rare earth element that has the same relative hardness

  5. Volume II, Environment, Safety, and Health Special Review of Work Practices

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

    for Nanoscale Material Activities at Department of Energy Laboratories, August 2008 | Department of Energy Volume II, Environment, Safety, and Health Special Review of Work Practices for Nanoscale Material Activities at Department of Energy Laboratories, August 2008 Volume II, Environment, Safety, and Health Special Review of Work Practices for Nanoscale Material Activities at Department of Energy Laboratories, August 2008 At the request of the Secretary of Energy, the U.S. Department of

  6. Technical Information Exchange on Pyrolysis Oil: Potential for a renewable heating oil substitution

    Broader source: Energy.gov [DOE]

    Two-day agenda from the workshop: Technical Information Exchange on Pyrolysis Oil: Potential for a renewable heating oil substitution fuel in New England.

  7. BLOT II Ver.1.39

    Energy Science and Technology Software Center (OSTI)

    2003-06-03

    BLOT II is a graphic program for post-processing finite element analyses output in the EXODUS II database format. It is command driven with free-format input and can drive graphics devices supported by the Sandia Virtual Device Interface. BLOT produces mesh plots of the analysis output variables including deformed mesh plots, line contours, filled (painted) contours, vector plots of two/three variables (velocity vectors), and symbol plots of scalar variables (discrete cracks). Features include pathlines of analysismore » variables drawn on the mesh, element selection by material, element birth and death, multiple views combining several displays on each plot, symmetry mirroring, and node and element numbering. X-Y plots of the analysis variables include time vs. variable plots or variable vs. variable plots, and distance vs. variable plots at selected time stips where distance is the accumulated distance between pairs of nodes or element centers.« less

  8. BLOT II Ver.1.39

    SciTech Connect (OSTI)

    2003-06-03

    BLOT II is a graphic program for post-processing finite element analyses output in the EXODUS II database format. It is command driven with free-format input and can drive graphics devices supported by the Sandia Virtual Device Interface. BLOT produces mesh plots of the analysis output variables including deformed mesh plots, line contours, filled (painted) contours, vector plots of two/three variables (velocity vectors), and symbol plots of scalar variables (discrete cracks). Features include pathlines of analysis variables drawn on the mesh, element selection by material, element birth and death, multiple views combining several displays on each plot, symmetry mirroring, and node and element numbering. X-Y plots of the analysis variables include time vs. variable plots or variable vs. variable plots, and distance vs. variable plots at selected time stips where distance is the accumulated distance between pairs of nodes or element centers.

  9. Hardfacing material

    DOE Patents [OSTI]

    Branagan, Daniel J.

    2012-01-17

    A method of producing a hard metallic material by forming a mixture containing at least 55% iron and at least one of boron, carbon, silicon and phosphorus. The mixture is formed into an alloy and cooled to form a metallic material having a hardness of greater than about 9.2 GPa. The invention includes a method of forming a wire by combining a metal strip and a powder. The metal strip and the powder are rolled to form a wire containing at least 55% iron and from two to seven additional elements including at least one of C, Si and B. The invention also includes a method of forming a hardened surface on a substrate by processing a solid mass to form a powder, applying the powder to a surface to form a layer containing metallic glass, and converting the glass to a crystalline material having a nanocrystalline grain size.

  10. Substitutional Nitrogen in Nanodiamond and Bucky-Diamond Particles

    SciTech Connect (OSTI)

    Barnard, Amanda S.; Sternberg, Michael G.

    2005-09-15

    The inclusion of dopants (such as nitrogen) in diamond nanoparticles is expected to be important for use in future nanodevices, such as qubits for quantum computing. Although most commercial diamond nanoparticles contain a small fraction of nitrogen, it is still unclear whether it is located within the core or at the surface of the nanoparticle. Presented here are density functional tight binding simulations examining the configuration, potential energy surface, and electronic charge of substitutional nitrogen in nanodiamond and bucky-diamond particles. The results predict that nitrogen is likely to be positioned at the surface of both hydrogenated nanodiamond and (dehydrogenated) bucky-diamond, and that the coordination of the dopants within the particles is dependent upon the surface structure.

  11. Training Materials

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

    Training Materials Training Materials The following tutorials are produced by NERSC staff and are intended to provide basic instruction on NERSC systems. Sort by: Default | Name | Date (low-high) | Date (high-low) | Source | Category Introduction to Hybrid OpenMP/MPI Programming June 24, 2004 | Author(s): Helen He | Download File: hybridTalk.pdf | pdf | 1005 KB sample managed list Using OpenMP October 20, 2010 | Author(s): Helen He | Introduction to MPI January 11, 2010 | Author(s): Richard

  12. Reference Material

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

    Reference Materials There are a variety of reference materials the NSSAB utilizes and have been made available on its website. Documents Fact Sheets - links to Department of Energy Nevada Field Office webpage Public Reading Room NTA Public Reading Facility Open Monday through Friday, 7:30 am to 4:30 pm (except holidays) 755C East Flamingo Road Las Vegas, Nevada 89119 Phone (702) 794-5106 http://www.nv.doe.gov/library/testingarchive.aspx DOE Electronic Database Also available to the public is an

  13. Breezy Bucks II | Open Energy Information

    Open Energy Info (EERE)

    II Jump to: navigation, search Name Breezy Bucks II Facility Breezy Bucks II Sector Wind energy Facility Type Commercial Scale Wind Facility Status In Service Owner Breezy Bucks II...

  14. Salty Dog II | Open Energy Information

    Open Energy Info (EERE)

    II Jump to: navigation, search Name Salty Dog II Facility Salty Dog II Sector Wind energy Facility Type Commercial Scale Wind Facility Status In Service Owner Salty Dog II LLC...

  15. Focus Areas | Critical Materials Institute

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

    Focus Areas FA 1: Diversifying Supply FA 2: Developing Substitutes FA 3: Improving Reuse and Recycling FA 4: Crosscutting Research

  16. PART II - CONTRACT CLAUSES

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

    I Contract No. DE-AC06-09RL14728 Modification 479 I-1 PART II - CONTRACT CLAUSES SECTION I CONTRACT CLAUSES I.1 FAR 52.252-2 CLAUSES INCORPORATED BY REFERENCE (FEB 1998) This Contract incorporates one or more clauses by reference, with the same force and effect as if they were given in full text. Upon request, the Contracting Officer will make their full text available. Also, the full text of a clause may be accessed electronically at these addresses: https://www.acquisition.gov/far/index.html

  17. PART II - CONTRACT CLAUSES

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

    I Contract No. DE-AC27-08RV14800 Modification No. 330 I-1 PART II - CONTRACT CLAUSES SECTION I CONTRACT CLAUSES I.1 FAR 52.252-2 CLAUSES INCORPORATED BY REFERENCE (FEB 1998) This Contract incorporates one or more clauses by reference, with the same force and effect as if they were given in full text. Upon request, the Contracting Officer will make their full text available. Also, the full text of a clause may be accessed electronically at these addresses: http://www.arnet.gov/far/

  18. Section II INT

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

    (11-03-2010) Title: Standard Terms & Conditions for International Commercial Transactions Owner: Procurement Policy & Quality Dept Initial Release Date: 11/3/10 Page 1 of 8 PPQD-TMPLT-008R01 Template Release Date: 12/01/09 Printed copies of this document are uncontrolled. Before using a printed copy to perform work, verify the version against the electronic document to ensure you are using the correct version. SANDIA CORPORATION SF 6432-IN (11-03-2010) SECTION II GENERAL PROVISIONS FOR

  19. Section II INT

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

    IN (01-12-2010) Title: Standard Terms & Conditions for International Commercial Transactions Owner: Procurement Policy & Quality Dept Initial Release Date: 01/12/10 Page 1 of 6 PPQD-TMPLT-008R01 Template Release Date: 12/01/09 Printed copies of this document are uncontrolled. Before using a printed copy to perform work, verify the version against the electronic document to ensure you are using the correct version. SANDIA CORPORATION SF 6432-IN (01-12-2010) SECTION II GENERAL PROVISIONS

  20. II.1 Itic

    Office of Legacy Management (LM)

    i! il II.1 Itic ihl j' ieil - Department of Emrgy \ Washington, DC20585 1 ' . The Honorable Bill. Johnson 30 Church Street Rochester, New York, 14614, Dear Mayor Johnion: I. ,Se$retary of EnergL Hazel.O'Leary has annouqced a .new appro the Department of Energy (DOE) and its communications with' .,support of this initiative, we are pleased to forward ttie e related to the, former Eastman Kodak Research Laboratoryisit jurisdiction that performed work for DOE or its predecesior information is

  1. PARS II Training Workbook (Course 103)

    Broader source: Energy.gov [DOE]

    PARS II 103 Updating Projects and Reporting Training Workbook (PARS II Release 1.1), September, 2010.

  2. Critical Materials:

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

    Critical Materials: 1 Technology Assessment 2 Contents 3 1. Introduction to the Technology/System ............................................................................................... 2 4 2. Technology Assessment and Potential ................................................................................................. 5 5 2.1 Major Trends in Selected Clean Energy Application Areas ........................................................... 5 6 2.1.1 Permanent Magnets for Wind

  3. Enhancement in magnetic properties of magnesium substituted bismuth...

    Office of Scientific and Technical Information (OSTI)

    for Information Science and Technology (TNList), Tsinghua University, Beijing 100084 (China) Institute for Advanced Materials and Laboratory of Quantum Engineering and Quantum...

  4. Phase diagram of the isovalent phosphorous-substituted 122-type...

    Office of Scientific and Technical Information (OSTI)

    Type: Accepted Manuscript Journal Name: Physical Review. B, Condensed Matter and Materials ... Export Metadata Endnote Excel CSV XML Save to My Library Send to Email Send to Email ...

  5. Structural, magnetic, and electronic properties of vanadium-substitute...

    Office of Scientific and Technical Information (OSTI)

    Resource Relation: Journal Name: Chemistry of Materials; Journal Volume: 12; Journal Issue: 4; Other Information: PBD: Apr 2000 Research Org: Heriot-Watt Univ., Riccarton, ...

  6. Effects of isomorphous substitution of a coordination polymer on the properties and its application in electrochemical sensing

    SciTech Connect (OSTI)

    Zhou, Bo; Liang, Li-Mei; Yao, Jie

    2014-07-01

    This work concerns the isomorphous substitution of coordination polymers (CPs) and its effect on the optical and electrochemical properties. The application of CPs in electrochemical sensing was studied as well. Isomorphous coordination polymers, [Co{sub x}Zn{sub 1?x}tyr]{sub n} (tyr=L-tyrosine), where x (01) was controlled by the Co/Zn ratios of raw materials, were successfully synthesized via a hydrothermal method, as proved by XRD and EDS results. Their UVvis DRS and fluorescence spectra change gradually along with the composition. Cyclic voltammograms of modified electrodes, [Co{sub x}Zn{sub 1?x}tyr]{sub n}/GCE, show that as more and more Zn replaced Co, the current signal decreases greatly and the potential shifts negatively. Much attention was paid to [Cotyr]{sub n} due to its highest sensitivity. Refreshable modified carbon paste electrode, [Cotyr]{sub n}-CPE, was used to determine nitrite, and showed pretty good performance as evidenced by chronoamperometry. The response was made very fast within mere 5 s. The linear detection range was from 5.0010{sup ?5} to 3.4510{sup ?3} M, with sensitivity of 263.4 mA mol{sup ?1} L cm{sup ?2}. The detection limit was found to be 2.0010{sup ?5} M. The sensor also showed good antiinterference and reproducibility. - Graphical abstract: Evolution of the optical and electrochemical properties of isomorphic coordination polymers [Co{sub x}Zn{sub 1?x}tyr]{sub n} along with the changing of x was studied. The CP also showed perfect performance in the electrochemical determination of nitrite. - Highlights: Isomorphous substitution of coordination polymers (CPs). Substitution-caused evolution of optical and electrochemical properties of CPs. Application of CPs in electrochemical sensing, an incipient area. Perfect performance of CPs in electrochemical determination of nitrite.

  7. Trans beta substituted chlorins and methods of making and using the same

    DOE Patents [OSTI]

    Lindsey, Jonathan S.; Balasubramanian, Thiagarajan

    2003-05-06

    Trans beta substituted chlorins and methods of making the same are disclosed, along with polymers formed from or containing such trans beta substituted chlorins as one or more monomeric units therein, light harvesting rods formed from such polymers, and electrodes carrying such polymers.

  8. EBR-II and TREAT Digitization Project

    SciTech Connect (OSTI)

    Griffith, George W.; Rabiti, Cristian

    2015-09-01

    Digitizing the technical drawings for EBR-II and TREAT provides multiple benefits. Moving the scanned or hard copy drawings to modern 3-D CAD (Computer Aided Drawing) format saves data that could be lost over time. The 3-D drawings produce models that can interface with other drawings to make complex assemblies. The 3-D CAD format can also include detailed material properties and parametric coding that can tie critical dimensions together allowing easier modification. Creating the new files from the old drawings has found multiple inconsistencies that are being flagged or corrected improving understanding of the reactor(s).

  9. Reference Materials

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

    ID 412- 11/16/2012 - Page 1 Log No 2012-263 Reference Materials * Transporting Radioactive Waste to the Nevada National Security Site fact sheet (ww.nv.energy.gov/library/factsheets/DOENV_990.pdf) - Generators contract with commercial carriers - U.S. Department of Transportation regulations require carriers to select routes which minimize radiological risk * Drivers Route and Shipment Information Questionnaire completed by drivers to document routes taken to the NNSS upon entry into Nevada -

  10. Fullerene materials

    SciTech Connect (OSTI)

    Malhotra, R.; Ruoff, R.S.; Lorents, D.C.

    1995-04-01

    Fullerenes are all-carbon cage molecules. The most celebrated fullerene is the soccer-ball shaped C{sub 60}, which is composed of twenty hexagons and twelve pentagons. Because its structure is reminiscent of the geodesic domes of architect R. Buckminster Fuller, C{sub 60} is called buckminsterfullerene, and all the materials in the family are designated fullerenes. Huffman and Kraetschmer`s discovery unleashed activity around the world as scientists explored production methods, properties, and potential uses of fullerenes. Within a short period, methods for their production in electric arcs, plasmas, and flames were discovered, and several companies began selling fullerenes to the research market. What is remarkable is that in all these methods, carbon atoms assemble themselves into cage structures. The capability for self-assembly points to some inherent stability of these structures that allows their formation. The unusual structure naturally leads to unusual properties. Among them are ready solubility in solvents and a relatively high vapor pressure for a pure carbon material. The young fullerene field has already produced a surprising array of structures for the development of carbon-base materials having completely new and different properties from any that were previously possible.