National Library of Energy BETA

Sample records for mo magnesium oxide

  1. IMPROVED MAGNESIUM OXIDE SLIP CASTING METHOD

    DOE Patents [OSTI]

    Stoddard, S.D.; Nuckolls, D.E.

    1963-12-31

    A process for making an aqueous magnesium oxide slip casting slurry comprising the steps of mixing finely ground fused magnesium oxide with water, milling the slurry for at least 30 hours at a temperature of 2-10 deg C (the low temperature during milling inhibiting the formation of hydrated magnesium oxide), discharging the slurry from the mill, adding hydrochloric acid as a deflocculent, and adding a scum inhibitor is presented. (AEC)

  2. Tape casting of magnesium oxide.

    SciTech Connect (OSTI)

    Ayala, Alicia; Corral, Erica L.; Loehman, Ronald E.; Bencoe, Denise Nora; Reiterer, Markus; Shah, Raja A.

    2008-02-01

    A tape casting procedure for fabricating ceramic magnesium oxide tapes has been developed as a method to produce flat sheets of sintered MgO that are thin and porous. Thickness of single layer tapes is in the range of 200-400 {micro}m with corresponding surface roughness values in the range of 10-20 {micro}m as measured by laser profilometry. Development of the tape casting technique required optimization of pretreatment for the starting magnesium oxide (MgO) powder as well as a detailed study of the casting slurry preparation and subsequent heat treatments for sintering and final tape flattening. Milling time of the ceramic powder, plasticizer, and binder mixture was identified as a primary factor affecting surface morphology of the tapes. In general, longer milling times resulted in green tapes with a noticeably smoother surface. This work demonstrates that meticulous control of the entire tape casting operation is necessary to obtain high-quality MgO tapes.

  3. Solid Oxide Membrane (SOM) Electrolysis of Magnesium: Scale-Up...

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

    Electrolysis of Magnesium: Scale-Up Research and Engineering for Light-Weight Vehicles Solid Oxide Membrane (SOM) Electrolysis of Magnesium: Scale-Up Research and Engineering for...

  4. Nuclear reactor shield including magnesium oxide

    DOE Patents [OSTI]

    Rouse, Carl A.; Simnad, Massoud T.

    1981-01-01

    An improvement in nuclear reactor shielding of a type used in reactor applications involving significant amounts of fast neutron flux, the reactor shielding including means providing structural support, neutron moderator material, neutron absorber material and other components as described below, wherein at least a portion of the neutron moderator material is magnesium in the form of magnesium oxide either alone or in combination with other moderator materials such as graphite and iron.

  5. Magnesium oxide inserts for the LECO Carbon Analyzer

    SciTech Connect (OSTI)

    Bagaasen, L.M.; Jensen, C.M.

    1991-01-16

    LECO carbon analysis of plutonium metal and plutonium oxide at the Rocky Flats Plant generates several hundred kilograms of high silica residues each year. The plutonium in these residues is difficult and expensive to recover using production dissolution processes. A magnesium oxide (MgO) insert has been developed that significantly lowers the plutonium recovery costs without adversely affecting accuracy of the carbon analysis.

  6. Oxide Film and Porosity Defects in Magnesium Alloy AZ91

    SciTech Connect (OSTI)

    Wang, Liang [Mississippi State University (MSU); Rhee, Hongjoo [Mississippi State University (MSU); Felicelli, Sergio D. [Mississippi State University (MSU); Sabau, Adrian S [ORNL; Berry, John T. [Mississippi State University (MSU)

    2009-01-01

    Porosity is a major concern in the production of light metal parts. This work aims to identify some of the mechanisms of microporosity formation in magnesium alloy AZ91. Microstructure analysis was performed on several samples obtained from gravity-poured ingots in graphite plate molds. Temperature data during cooling was acquired with type K thermocouples at 60 Hz at three locations of each casting. The microstructure of samples extracted from the regions of measured temperature was then characterized with optical metallography. Tensile tests and conventional four point bend tests were also conducted on specimens cut from the cast plates. Scanning electron microscopy was then used to observe the microstructure on the fracture surface of the specimens. The results of this study revealed the existence of abundant oxide film defects, similar to those observed in aluminum alloys. Remnants of oxide films were detected on some pore surfaces, and folded oxides were observed in fracture surfaces indicating the presence of double oxides entrained during pouring.

  7. Appendix MgO: Magnesium Oxide as an Engineered Barrier

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

    MgO-2014 Magnesium Oxide as an Engineered Barrier United States Department of Energy Waste Isolation Pilot Plant Carlsbad Field Office Carlsbad, New Mexico Compliance Recertification Application 2014 Appendix MgO-2014 Table of Contents MgO-1.0 Introduction MgO-2.0 Description of the Engineered Barrier System MgO-2.1 Emplacement of MgO MgO-2.1.1 Supersacks MgO-2.1.2 Minisacks MgO-2.1.3 Use of Racks to Emplace Additional MgO MgO-2.1.4 Changes since the CRA-2009 MgO-2.2 MgO Vendors MgO-3.0

  8. Carbon dioxide adsorbents containing magnesium oxide suitable for use at high temperatures

    DOE Patents [OSTI]

    Mayorga, Steven Gerard; Weigel, Scott Jeffrey; Gaffney, Thomas Richard; Brzozowski, Jeffrey Richard

    2001-01-01

    Adsorption of carbon dioxide from gas streams at temperatures in the range of 300 to 500.degree. C. is carried out with a solid adsorbent containing magnesium oxide, preferably promoted with an alkali metal carbonate or bicarbonate so that the atomic ratio of alkali metal to magnesium is in the range of 0.006 to 2.60. Preferred adsorbents are made from the precipitate formed on addition of alkali metal and carbonate ions to an aqueous solution of a magnesium salt. Atomic ratios of alkali metal to magnesium can be adjusted by washing the precipitate with water. Low surface area adsorbents can be made by dehydration and CO.sub.2 removal of magnesium hydroxycarbonate, with or without alkali metal promotion. The process is especially valuable in pressure swing adsorption operations.

  9. Demonstration of Magnesium Intercalation into a High-Voltage Oxide

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

    | SciTech Connect Demonstration of LED Street Lighting in Kansas City, MO Citation Details In-Document Search Title: Demonstration of LED Street Lighting in Kansas City, MO Nine different streetlighting products were installed on various streets in Kansas City, Missouri during February, 2011, to evaluate their performance relative to the incumbent high-pressure sodium (HPS) lighting. The applications investigated included 100 W, 150 W, 250 W, and 400 W HPS installations. Initial measurements

  10. Oxidation, Reduction, and Condensation of Alcohols over (MO3)3 (M=Mo, W) Nanoclusters

    SciTech Connect (OSTI)

    Fang, Zongtang; Li, Zhenjun; Kelley, Matthew S.; Kay, Bruce D.; Li, Shenggang; Hennigan, Jamie M.; Rousseau, Roger J.; Dohnalek, Zdenek; Dixon, David A.

    2014-10-02

    The reactions of deuterated methanol, ethanol, 1-propanol, 1-butanol, 2-propanol, 2-butanol and t-butanol over cyclic (MO3)3 (M = Mo, W) clusters were studied experimentally with temperature programmed desorption (TPD) and theoretically with coupled cluster CCSD(T) theory and density functional theory. The reactions of two alcohols per M3O9 cluster are required to provide agreement with experiment for D2O release, dehydrogenation and dehydration. The reaction begins with the elimination of water by proton transfers and forms an intermediate dialkoxy species which can undergo further reaction. Dehydration proceeds by a ? hydrogen transfer to a terminal M=O. Dehydrogenation takes place via an ? hydrogen transfer to an adjacent MoVI = O atom or a WVI metal center with redox involved for M = Mo and no redox for M = W. The two channels have comparable activation energies. H/D exchange to produce alcohols can take place after olefin is released or via the dialkoxy species depending on the alcohol and the cluster. The Lewis acidity of the metal center with WVI being larger than MoVI results in the increased reactivity of W3O9 over Mo3O9 for dehydrogenation and dehydration.

  11. Photo-oxidation method using MoS2 nanocluster materials

    DOE Patents [OSTI]

    Wilcoxon, Jess P.

    2001-01-01

    A method of photo-oxidizing a hydrocarbon compound is provided by dispersing MoS.sub.2 nanoclusters in a solvent containing a hydrocarbon compound contaminant to form a stable solution mixture and irradiating the mixture to photo-oxide the hydrocarbon compound. Hydrocarbon compounds of interest include aromatic hydrocarbon and chlorinated hydrocarbons. MoS.sub.2 nanoclusters with an average diameter less than approximately 10 nanometers are shown to be effective in decomposing potentially toxic aromatic and chlorinated hydrocarbons, such as phenol, pentachlorophenol, chlorinated biphenols, and chloroform, into relatively non-toxic compounds. The irradiation can occur by exposing the MoS.sub.2 nanoclusters and hydrocarbon compound mixture with visible light. The MoS.sub.2 nanoclusters can be introduced to the toxic hydrocarbons as either a MoS.sub.2 solution or deposited on a support material.

  12. Method for production of magnesium

    DOE Patents [OSTI]

    Diaz, A.F.; Howard, J.B.; Modestino, A.J.; Peters, W.A.

    1998-07-21

    A continuous process for the production of elemental magnesium is described. Magnesium is made from magnesium oxide and a light hydrocarbon gas. In the process, a feed stream of the magnesium oxide and gas is continuously fed into a reaction zone. There the magnesium oxide and gas are reacted at a temperature of about 1400 C or greater in the reaction zone to provide a continuous product stream of reaction products, which include elemental magnesium. The product stream is continuously quenched after leaving the reaction zone, and the elemental magnesium is separated from other reaction products. 12 figs.

  13. Method for production of magnesium

    DOE Patents [OSTI]

    Diaz, Alexander F. (Cambridge, MA); Howard, Jack B. (Winchester, MA); Modestino, Anthony J. (Hanson, MA); Peters, William A. (Lexington, MA)

    1998-01-01

    A continuous process for the production of elemental magnesium is described. Magnesium is made from magnesium oxide and a light hydrocarbon gas. In the process, a feed stream of the magnesium oxide and gas is continuously fed into a reaction zone. There the magnesium oxide and gas are reacted at a temperature of about 1400.degree. C. or greater in the reaction zone to provide a continuous product stream of reaction products, which include elemental magnesium. The product stream is continuously quenched after leaving the reaction zone, and the elemental magnesium is separated from other reaction products.

  14. Monolayers of MoS{sub 2} as an oxidation protective nanocoating material

    SciTech Connect (OSTI)

    Sen, H. Sener; Sahin, H.; Peeters, F. M.; Durgun, E.

    2014-08-28

    First-principle calculations are employed to investigate the interaction of oxygen with ideal and defective MoS{sub 2} monolayers. Our calculations show that while oxygen atoms are strongly bound on top of sulfur atoms, the oxygen molecule only weakly interacts with the surface. The penetration of oxygen atoms and molecules through a defect-free MoS{sub 2} monolayer is prevented by a very high diffusion barrier indicating that MoS{sub 2} can serve as a protective layer for oxidation. The analysis is extended to WS{sub 2} and similar coating characteristics are obtained. Our calculations indicate that ideal and continuous MoS{sub 2} and WS{sub 2} monolayers can improve the oxidation and corrosion-resistance of the covered surface and can be considered as an efficient nanocoating material.

  15. Surface oxidation energetics and kinetics on MoS{sub 2} monolayer

    SciTech Connect (OSTI)

    KC, Santosh; Longo, Roberto C.; Wallace, Robert M.; Cho, Kyeongjae

    2015-04-07

    In this work, surface oxidation of monolayer MoS{sub 2} (one of the representative semiconductors in transition-metal dichalcogenides) has been investigated using density functional theory method. Oxygen interaction with MoS{sub 2} shows that, thermodynamically, the surface tends to be oxidized. However, the dissociative absorption of molecular oxygen on the MoS{sub 2} surface is kinetically limited due to the large energy barrier at low temperature. This finding elucidates the air stability of MoS{sub 2} surface in the atmosphere. Furthermore, the presence of defects significantly alters the surface stability and adsorption mechanisms. The electronic properties of the oxidized surface have been examined as a function of oxygen adsorption and coverage as well as substitutional impurities. Our results on energetics and kinetics of oxygen interaction with the MoS{sub 2} monolayer are useful for the understanding of surface oxidation, air stability, and electronic properties of transition-metal dichalcogenides at the atomic scale.

  16. Structure and Electronic Properties of MoVO type Mixed-metal Oxides ¿ a

    Office of Scientific and Technical Information (OSTI)

    Combined View by Experiment and Theory (Journal Article) | SciTech Connect Structure and Electronic Properties of MoVO type Mixed-metal Oxides ¿ a Combined View by Experiment and Theory Citation Details In-Document Search Title: Structure and Electronic Properties of MoVO type Mixed-metal Oxides ¿ a Combined View by Experiment and Theory Authors: Chiu, C ; Vogt, T ; Zhao, L ; Genest, A ; Rosch, N Publication Date: 2015-07-01 OSTI Identifier: 1229398 Report Number(s): BNL--111474-2015-JA

  17. A Double-Blind Placebo-Controlled Randomized Clinical Trial With Magnesium Oxide to Reduce Intrafraction Prostate Motion for Prostate Cancer Radiotherapy

    SciTech Connect (OSTI)

    Lips, Irene M.; Gils, Carla H. van; Kotte, Alexis N.T.J.; Leerdam, Monique E. van; Franken, Stefan P.G.; Heide, Uulke A. van der; Vulpen, Marco van

    2012-06-01

    Purpose: To investigate whether magnesium oxide during external-beam radiotherapy for prostate cancer reduces intrafraction prostate motion in a double-blind, placebo-controlled randomized trial. Methods and Materials: At the Department of Radiotherapy, prostate cancer patients scheduled for intensity-modulated radiotherapy (77 Gy in 35 fractions) using fiducial marker-based position verification were randomly assigned to receive magnesium oxide (500 mg twice a day) or placebo during radiotherapy. The primary outcome was the proportion of patients with clinically relevant intrafraction prostate motion, defined as the proportion of patients who demonstrated in {>=}50% of the fractions an intrafraction motion outside a range of 2 mm. Secondary outcome measures included quality of life and acute toxicity. Results: In total, 46 patients per treatment arm were enrolled. The primary endpoint did not show a statistically significant difference between the treatment arms with a percentage of patients with clinically relevant intrafraction motion of 83% in the magnesium oxide arm as compared with 80% in the placebo arm (p = 1.00). Concerning the secondary endpoints, exploratory analyses demonstrated a trend towards worsened quality of life and slightly more toxicity in the magnesium oxide arm than in the placebo arm; however, these differences were not statistically significant. Conclusions: Magnesium oxide is not effective in reducing the intrafraction prostate motion during external-beam radiotherapy, and therefore there is no indication to use it in clinical practice for this purpose.

  18. A practical grinding-assisted dry synthesis of nanocrystalline NiMoO{sub 4} polymorphs for oxidative dehydrogenation of propane

    SciTech Connect (OSTI)

    Chen Miao; Wu Jialing; Liu Yongmei; Cao Yong; Guo Li; He Heyong; Fan Kangnian

    2011-12-15

    A practical two-stage reactive grinding-assisted pathway waste-free and cost-effective for the synthesis of NiMoO{sub 4} has been successfully developed. It was demonstrated that proper design in synthetic strategy for grinding plays a crucial role in determining the ultimate polymorph of NiMoO{sub 4}. Specifically, direct grinding (DG) of MoO{sub 3} and NiO rendered {alpha}-NiMoO{sub 4} after annealing, whereas sequential grinding (SG) of the two independently pre-ground oxides followed by annealing generated {beta}-NiMoO{sub 4} solid solution. Characterizations in terms of Raman and X-ray diffraction suggest the creation of {beta}-NiMoO{sub 4} precursor in the latter alternative is the key aspect for the formation of {beta}-NiMoO{sub 4}. The DG-derived {alpha}-NiMoO{sub 4} tested by oxidative dehydrogenation of propane exhibited superior activity in contrast to its analog synthesized via conventional coprecipitation. It is suggested that the favorable chemical composition facilely obtained via grinding in contrast to that by coprecipitation was essential for achieving a more selective production of propylene. - Graphical Abstract: Grinding-assisted synthesis of NiMoO{sub 4} offers higher and more reproducible activities in contrast to coprecipitation for oxidative dehydrogenation of propane, and both {alpha}- and {beta}-NiMoO{sub 4} can be synthesized. Highlights: Black-Right-Pointing-Pointer NiMoO{sub 4} was prepared through grinding-assisted pathway. Black-Right-Pointing-Pointer Direct/sequential grinding rendered {alpha}-, {beta}-NiMoO{sub 4}, respectively. Black-Right-Pointing-Pointer Grinding-derived {alpha}-NiMoO{sub 4} showed high and reproducible activity for oxidative dehydrogenation of propane.

  19. DEGRADATION OF SM2ZR2O7 THERMAL BARRIER COATING CAUSED BY CALCIUM-MAGNESIUM-ALUMINUM-SILICON OXIDE (CMAS) DEPOSITION

    SciTech Connect (OSTI)

    Wang, Honglong; Sheng, Zhizhi; Tarwater, Emily; Zhang, Xingxing; Dasgupta, Sudip; Fergus, Jeffrey

    2015-03-16

    Rare earth zirconates are promising materials for use as thermal barrier coatings in gas turbine engines. Among the lanthanide zirconate materials, Sm2Zr2O7 with the pyrochlore structure has lower thermal conductivity and better corrosion resistance against calcium-magnesium-aluminum-silicon oxide (CMAS). In this work, after reaction with CMAS, the pyrochlore structure transforms to the cubic fluorite structure and Ca2Sm8(SiO4)6O2 forms in elongated grain.

  20. Production of magnesium metal

    DOE Patents [OSTI]

    Blencoe, James G. [Harriman, TN; Anovitz, Lawrence M. [Knoxville, TN; Palmer, Donald A. [Oliver Springs, TN; Beard, James S. [Martinsville, VA

    2010-02-23

    A process of producing magnesium metal includes providing magnesium carbonate, and reacting the magnesium carbonate to produce a magnesium-containing compound and carbon dioxide. The magnesium-containing compound is reacted to produce magnesium metal. The carbon dioxide is used as a reactant in a second process. In another embodiment of the process, a magnesium silicate is reacted with a caustic material to produce magnesium hydroxide. The magnesium hydroxide is reacted with a source of carbon dioxide to produce magnesium carbonate. The magnesium carbonate is reacted to produce a magnesium-containing compound and carbon dioxide. The magnesium-containing compound is reacted to produce magnesium metal. The invention further relates to a process for production of magnesium metal or a magnesium compound where an external source of carbon dioxide is not used in any of the reactions of the process. The invention also relates to the magnesium metal produced by the processes described herein.

  1. Production of magnesium metal

    DOE Patents [OSTI]

    Blencoe, James G.; Anovitz, Lawrence M.; Palmer, Donald A.; Beard, James S.

    2012-04-10

    A process of producing magnesium metal includes providing magnesium carbonate, and reacting the magnesium carbonate to produce a magnesium-containing compound and carbon dioxide. The magnesium-containing compound is reacted to produce magnesium metal. The carbon dioxide is used as a reactant in a second process. In another embodiment of the process, a magnesium silicate is reacted with a caustic material to produce magnesium hydroxide. The magnesium hydroxide is reacted with a source of carbon dioxide to produce magnesium carbonate. The magnesium carbonate is reacted to produce a magnesium-containing compound and carbon dioxide. The magnesium-containing compound is reacted to produce magnesium metal. The invention also relates to the magnesium metal produced by the processes described herein.

  2. Magnesium fluoride recovery method

    DOE Patents [OSTI]

    Gay, Richard L.; McKenzie, Donald E.

    1989-01-01

    A method of obtaining magnesium fluoride substantially free from radioactive uranium from a slag containing the same and having a radioactivity level of at least about 7000 pCi/gm. The slag is ground to a particle size of about 200 microns or less. The ground slag is contacted with an acid under certain prescribed conditions to produce a liquid product and a particulate solid product. The particulate solid product is separated from the liquid and treated at least two more times with acid to produce a solid residue consisting essentially of magnesium fluoride substantially free of uranium and having a residual radioactivity level of less than about 1000 pCi/gm. In accordance with a particularly preferred embodiment of the invention a catalyst and an oxidizing agent are used during the acid treatment and preferably the acid is sulfuric acid having a strength of about 1.0 Normal.

  3. Magnesium phosphate glass cements with ceramic-type properties

    DOE Patents [OSTI]

    Sugama, Toshifumi; Kukacka, Lawrence E.

    1984-03-13

    Rapid setting magnesium phosphate (Mg glass) cementitious materials consisting of magnesium phosphate cement paste, polyborax and water-saturated aggregate exhibiting rapid setting and high early strength characteristics. The magnesium glass cement is prepared from a cation-leachable powder and a bivalent metallic ion-accepting liquid such as an aqueous solution of diammonium phosphate and ammonium polyphosphate. The cation-leachable powder includes a mixture of two different magnesium oxide powders processed and sized differently which when mixed with the bivalent metallic ion-accepting liquid provides the magnesium glass cement consisting primarily of magnesium ortho phosphate tetrahydrate, with magnesium hydroxide and magnesium ammonium phosphate hexahydrate also present. The polyborax serves as a set-retarder. The resulting magnesium mono- and polyphosphate cements are particularly suitable for use as a cementing matrix in rapid repair systems for deteriorated concrete structures as well as construction materials and surface coatings for fireproof structures.

  4. Magnesium-phosphate-glass cements with ceramic-type properties

    DOE Patents [OSTI]

    Sugama, T.; Kukacka, L.E.

    1982-09-23

    Rapid setting magnesium phosphate (Mg glass) cementitious materials consisting of magnesium phosphate cement paste, polyborax and water-saturated aggregate, exhibits rapid setting and high early strength characteristics. The magnesium glass cement is prepared from a cation-leachable powder and a bivalent metallic ion-accepting liquid such as an aqueous solution of diammonium phosphate and ammonium polyphosphate. The cation-leachable powder includes a mixture of two different magnesium oxide powders processed and sized differently which when mixed with the bivalent metallic ion-accepting liquid provides the magnesium glass cement consisting primarily of magnesium ortho phosphate tetrahydrate, with magnesium hydroxide and magnesium ammonium phosphate hexahydrate also present. The polyborax serves as a set-retarder. The resulting magnesium mono- and polyphosphate cements are particularly suitable for use as a cementing matrix in rapid repair systems for deteriorated concrete structures as well as construction materials and surface coatings for fireproof structures.

  5. Heterogeneous-phase reactions of nitrogen dioxide with vermiculite-supported magnesium oxide (as applied to the control of jet engine test cell emissions). Doctoral thesis

    SciTech Connect (OSTI)

    Kimm, L.T.

    1995-11-01

    Controlling nitrogen oxides (NOx) from a non-steady-state stationary source like a jet engine test cell (JETC) requires a method that is effective over a wide range of conditions. A heterogeneous, porous, high surface area sorbent material comprised of magnesium oxide powder attached to a vermiculite substrate has been commercially developed for this purpose. Data from extensive laboratory testing of this material in a packed-bed flow system are presented. NO2 removal efficiencies, kinetics, and proposed NO2 removal mechanisms over a range of representative JETC exhaust gas characteristics are described. Exhaust gas variables evaluated included: NO2 concentration, temperature, flow rate (retention time), oxygen content, and moisture content. Availability of water and oxygen were found to be important variables. It is probable that water is necessary for the conversion of MgO to Mg(OH)2, which is a more reactive compound having thermal stability over the range of temperatures evaluated. Gaseous oxygen serves to oxidize NO to NO2, the latter being more readily removed from the gas stream. The presence of oxygen also serves to offset thermal decomposition of NO2 or surface nitrite/nitrate. Effective `lifetime` and regenerability of the exposed sorbent material were also evaluated. NO2 removal efficiencies were found to greatly exceed those for NO, with a maximum value greater than 90 percent. The effective conversion of NO to NO2 is a crucial requirement for removal of the former. The reaction between NO2 and MgO-vermiculite is first-order with respect to NO2.

  6. Better Catalysts through Microscopy: Nanometer Scale M1/M2 Intergrown Heterostructure in Mo-V-M Complex Oxides

    SciTech Connect (OSTI)

    He, Qian; Woo, Jungwon; Belianinov, Alex; Guliants, Vadim V.; Borisevich, Albina Y

    2015-01-01

    In recent decades, catalysis research has transformed from the predominantly empirical field to one where it is possible to control the catalytic properties via characterization and modification of the atomic-scale active centers. Many phenomena in catalysis, such as synergistic effect, however, transcend the atomic scale and also require the knowledge and control of the mesoscale structure of the specimen to harness. In this paper, we use our discovery of atomic-scale epitaxial interfaces in molybdenum vanadium based complex oxide catalysts systems (i.e., MoVMO, M = Ta, Te, Sb, Nb, etc.) to achieve control of the mesoscale structure of this complex mixture of very different active phases. We can now achieve true epitaxial intergrowth between the catalytically critical M1 and M2 phases in the system that are hypothesized to have synergistic interactions, and demonstrate that the resulting catalyst has improved selectivity in the initial studies. Finally, we highlight the crucial role atomic scale characterization and mesoscale structure control play in uncovering the complex underpinnings of the synergistic effect in catalysis.

  7. Better Catalysts through Microscopy: Nanometer Scale M1/M2 Intergrown Heterostructure in Mo-V-M Complex Oxides

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

    He, Qian; Woo, Jungwon; Belianinov, Alex; Guliants, Vadim V.; Borisevich, Albina Y

    2015-01-01

    In recent decades, catalysis research has transformed from the predominantly empirical field to one where it is possible to control the catalytic properties via characterization and modification of the atomic-scale active centers. Many phenomena in catalysis, such as synergistic effect, however, transcend the atomic scale and also require the knowledge and control of the mesoscale structure of the specimen to harness. In this paper, we use our discovery of atomic-scale epitaxial interfaces in molybdenum vanadium based complex oxide catalysts systems (i.e., MoVMO, M = Ta, Te, Sb, Nb, etc.) to achieve control of the mesoscale structure of this complex mixturemore » of very different active phases. We can now achieve true epitaxial intergrowth between the catalytically critical M1 and M2 phases in the system that are hypothesized to have synergistic interactions, and demonstrate that the resulting catalyst has improved selectivity in the initial studies. Finally, we highlight the crucial role atomic scale characterization and mesoscale structure control play in uncovering the complex underpinnings of the synergistic effect in catalysis.« less

  8. Adsorption of propane, isopropyl, and hydrogen on cluster models of the M1 phase of Mo-V-Te-Nb-O mixed metal oxide catalyst

    SciTech Connect (OSTI)

    Govindasamy, Agalya; Muthukumar, Kaliappan; Yu, Junjun; Xu, Ye; Guliants, Vadim V.

    2010-01-01

    The Mo-V-Te-Nb-O mixed metal oxide catalyst possessing the M1 phase structure is uniquely capable of directly converting propane into acrylonitrile. However, the mechanism of this complex eight-electron transformation, which includes a series of oxidative H-abstraction and N-insertion steps, remains poorly understood. We have conducted a density functional theory study of cluster models of the proposed active and selective site for propane ammoxidation, including the adsorption of propane, isopropyl (CH{sub 3}CHCH{sub 3}), and H which are involved in the first step of this transformation, that is, the methylene C-H bond scission in propane, on these active site models. Among the surface oxygen species, the telluryl oxo (Te=O) is found to be the most nucleophilic. Whereas the adsorption of propane is weak regardless of the MO{sub x} species involved, isopropyl and H adsorption exhibits strong preference in the order of Te=O > V=O > bridging oxygens > empty Mo apical site, suggesting the importance of TeO{sub x} species for H abstraction. The adsorption energies of isopropyl and H and consequently the reaction energy of the initial dehydrogenation of propane are strongly dependent on the number of ab planes included in the cluster, which points to the need to employ multilayer cluster models to correctly capture the energetics of surface chemistry on this mixed metal oxide catalyst.

  9. STEM HAADF Image Simulation of the Orthorhombic M1 Phase in the Mo-V-Nb-Te-O Propane Oxidation Catalyst

    SciTech Connect (OSTI)

    D Blom; X Li; S Mitra; T Vogt; D Buttrey

    2011-12-31

    A full frozen phonon multislice simulation of high angle annular dark field scanning transmission electron microscopy (HAADF STEM) images from the M1 phase of the Mo-V-Nb-Te-O propane oxidation catalyst has been performed by using the latest structural model obtained using the Rietveld method. Simulated contrast results are compared with experimental HAADF images. Good agreement is observed at ring sites, however significant thickness dependence is noticed at the linking sites. The remaining discrepancies between the model based on Rietveld refinement and image simulations indicate that the sampling of a small volume element in HAADF STEM and averaging elemental contributions of a disordered site in a crystal slab by using the virtual crystal approximation might be problematic, especially if there is preferential Mo/V ordering near the (001) surface.

  10. Mo-99

    National Nuclear Security Administration (NNSA)

    its project for domestic production of molybdenum-99 (Mo-99) without highly enriched uranium (HEU).

    Mo-99 is the parent isotope of technetium-99m, which is the most widely...

  11. Method for magnesium sulfate recovery

    DOE Patents [OSTI]

    Gay, R.L.; Grantham, L.F.

    1987-08-25

    A method is described for obtaining magnesium sulfate substantially free from radioactive uranium from a slag containing the same and having a radioactivity level of at least about 7,000 pCi/gm. The slag is ground to a particle size of about 200 microns or less. The ground slag is then contacted with a concentrated sulfuric acid under certain prescribed conditions to produce a liquid product and a solid product. The particulate solid product and a minor amount of the liquid is then treated to produce a solid residue consisting essentially of magnesium sulfate substantially free of uranium and having a residual radioactivity level of less than 1,000 pCi/gm. In accordance with the preferred embodiment of the invention, a catalyst and an oxidizing agent are used during the initial acid treatment and a final solid residue has a radioactivity level of less than about 50 pCi/gm.

  12. Method for magnesium sulfate recovery

    DOE Patents [OSTI]

    Gay, Richard L.; Grantham, LeRoy F.

    1987-01-01

    A method of obtaining magnesium sulfate substantially free from radioactive uranium from a slag containing the same and having a radioactivity level of at least about 7000 pCi/gm. The slag is ground to a particle size of about 200 microns or less. The ground slag is then contacted with a concentrated sulfuric acid under certain prescribed conditions to produce a liquid product and a solid product. The particulate solid product and a minor amount of the liquid is then treated to produce a solid residue consisting essentially of magnesium sulfate substantially free of uranium and having a residual radioactivity level of less than 1000 pCi/gm. In accordance with the preferred embodiment of the invention, a catalyst and an oxidizing agent are used during the initial acid treatment and a final solid residue has a radioactivity level of less than about 50 pCi/gm.

  13. Structures, Mechanisms, and Kinetics of Ammoxidation and Selective Oxidation of Propane Over the M2 Phase of MoVNbTeO Catalysts

    SciTech Connect (OSTI)

    Goddard, William A.; Liu, Lianchi; Mueller, Jonathan E.; Pudar, Sanja; Nielsen, Robert J.

    2011-05-04

    We report here first-principles-based predictions of the structures, mechanisms, and activation barriers for propane activation by the M2 phase of the MoVNbTeO multi-metal oxide catalysts capable of the direct conversion of propane to acrylonitrile. Our approach is to combine extensive quantum mechanical (QM) calculations to establish the mechanisms for idealized representations of the surfaces for these catalytic systems and then to modify the parameters in the ReaxFF reactive force field for molecular dynamics (MD) calculations to describe accurately the activation barriers and reaction mechanisms of the chemical reactions over complex mixed metal oxides. The parameters for ReaxFF are derived entirely from QM without the use of empirical data so that it can be applied to novel systems on which there is little or no data. To understand the catalysis in these systems it is essential to determine the surface structures that control the surface chemistry. High quality three-dimensional (3D) Rietveld structures are now available for the M1 and M2 phases of the MoVNbTeO catalysts.

  14. Formation of chemically bonded ceramics with magnesium dihydrogen phosphate binder

    DOE Patents [OSTI]

    Wagh, Arun S.; Jeong, Seung-Young

    2004-08-17

    A new method for combining magnesium oxide, MgO, and magnesium dihydrogen phosphate to form an inexpensive compactible ceramic to stabilize very low solubility metal oxides, ashes, swarfs, and other iron or metal-based additives, to create products and waste forms which can be poured or dye cast, and to reinforce and strengthen the ceramics formed by the addition of fibers to the initial ceramic mixture.

  15. Reversible Magnesium Intercalation into a Layered Oxyfluoride Cathode -

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

    Joint Center for Energy Storage Research 18, 2015, Research Highlights Reversible Magnesium Intercalation into a Layered Oxyfluoride Cathode Powder diffraction of oxyfluoridecathode with intercalated Mg and capacities of oxyfluorideand oxide cathodes Scientific Achievement Magnesium was reversibly intercalated at room temperature into an oxyfluoride cathode without the co-intercalation of electrolytes or protons and without the formation of unwanted side-products that commonly plague oxide

  16. Theoretical Investigation of H? Oxidation on the Sr2Fe1.5Mo0.5O6 (001) Perovskite Surface Under Anodic Solid Oxide Fuel Cell Conditions

    SciTech Connect (OSTI)

    Suthirakun, Suwit; Ammal, Salai Cheettu; Munoz-Garcia, Ana B.; Xiao, Guoliang; Chen, Fanglin; zur Loye, Hans-Conrad; Carter, Emily A.; Heyden, Andreas

    2014-06-11

    Periodic density functional theory (DFT) calculations and microkinetic modeling are used to investigate the electrochemical oxidation of H? fuel on the (001) surface of Sr2Fe1.5Mo0.5O6 (SFMO) perovskite under anodic solid oxide fuel cell conditions. Three surface models with different Fe/Mo ratios in the topmost layer-identified by ab initio thermodynamic analysis-are used to investigate the H? oxidation mechanism. A microkinetic analysis that considers the effects of anode bias potential suggests that a higher Mo concentration in the surface increases the activity of the surface toward H? oxidation. At operating voltage and anodic SOFC conditions, the model predicts that water desorption is rate-controlling and that stabilizing the oxygen vacancy structure increases the overall rate for H? oxidation. Although we find that Mo plays a crucial role in improving catalytic activity of SFMO, under fuel cell operating conditions, the Mo content in the surface layer tends to be very low. On the basis of these results and in agreement with previous experimental observations, a strategy for improving the overall electrochemical performance of SFMO is increasing the Mo content or adding small amounts of an active transition metal, such as Ni, to the surface to lower the oxygen vacancy formation energy of the SFMO surface.

  17. Mo-99

    National Nuclear Security Administration (NNSA)

    NorthStar Medical Radioisotopes to further develop its technology to produce Mo-99 via neutron capture, bringing the total NNSA support to this project to the maximum of 25...

  18. Electrodeposition of magnesium and magnesium/aluminum alloys

    DOE Patents [OSTI]

    Mayer, A.

    1988-01-21

    Electrolytes and plating solutions for use in processes for electroplating and electroforming pure magnesium and alloys of aluminum and magnesium and also electrodeposition processes. An electrolyte of this invention is comprised of an alkali metal fluoride or a quaternary ammonium halide, dimethyl magnesium and/or diethyl magnesium, and triethyl aluminum and/or triisobutyl aluminum. An electrolyte may be dissolved in an aromatic hydrocarbon solvent to form a plating solution. The proportions of the component compounds in the electrolyte are varied to produce essentially pure magnesium or magnesium/aluminum alloys having varying selected compositions.

  19. Electrodeposition of magnesium and magnesium/aluminum alloys

    DOE Patents [OSTI]

    Mayer, Anton

    1988-01-01

    Electrolytes and plating solutions for use in processes for electroplating and electroforming pure magnesium and alloys of aluminum and magnesium and also electrodeposition processes. An electrolyte of this invention is comprised of an alkali metal fluoride or a quaternary ammonium halide, dimethyl magnesium and/or diethyl magnesium, and triethyl aluminum and/or triisobutyl aluminum. An electrolyte may be dissolved in an aromatic hydrocarbon solvent to form a plating solution. The proportions of the component compounds in the electrolyte are varied to produce essentially pure magnesium or magnesium/aluminum alloys having varying selected compositions.

  20. Process for converting magnesium fluoride to calcium fluoride

    DOE Patents [OSTI]

    Kreuzmann, A.B.; Palmer, D.A.

    1984-12-21

    This invention is a process for the conversion of magnesium fluoride to calcium fluoride whereby magnesium fluoride is decomposed by heating in the presence of calcium carbonate, calcium oxide or calcium hydroxide. Magnesium fluoride is a by-product of the reduction of uranium tetrafluoride to form uranium metal and has no known commercial use, thus its production creates a significant storage problem. The advantage of this invention is that the quality of calcium fluoride produced is sufficient to be used in the industrial manufacture of anhydrous hydrogen fluoride, steel mill flux or ceramic applications.

  1. MO: ZL

    Office of Legacy Management (LM)

    II , --fsi2L /~YlO MO: ZL W./O -1 ;3UN 2 2 1984 DeLanr 6/W/f. NE-20 -24 Authorization for Remedial Action at the Seaway Industrial Park and Ashland 0 1 Co. (I) Sites at Tonawanda, 9 NY, and Mallinckrodt Chemical Co., St. Louis, MO Ba 1s J. LaGrone, Eianager Oak Ridge Operations Office 6/20/E We have determined that the subject sites are contaminated with residual NE-20 radioactive material as a result of the Manhattan Engineer District/Atomic ,/"/1. EnergyXommission operations at those

  2. Partial substitution of Mo{sup 6+} by S{sup 6+} in the fast oxide ion conductor La{sub 2}Mo{sub 2}O{sub 9}: Synthesis, structure and sulfur depletion

    SciTech Connect (OSTI)

    Mhadhbi, Noureddine; Corbel, Gwenaeel; Lacorre, Philippe; Bulou, Alain

    2012-06-15

    Powder-solid state reaction route using La{sub 2}(SO{sub 4}){sub 3} as sulfur source was used to prepare compositions of the solid solution La{sub 2}Mo{sub 2-y}S{sub y}O{sub 9}. Single phases were only obtained in the substitution range extending up to y=0.8 (40 mol% S) at the annealing temperature of 850 Degree-Sign C with regard to the limit of stability of the lanthanum sulphate reactant. Within the synthesis conditions, a stabilization of the high temperature {beta}-form is observed from and above y=0.1 (5 mol% S). Temperature-controlled X-ray diffraction and thermogravimetric analyses have shown that La{sub 2}Mo{sub 2-y}S{sub y}O{sub 9} raw powders undergo thermal decompositions in two steps. Heating above 900 Degree-Sign C, a sulfur depletion to the benefit of molybdenum in La{sub 2}Mo{sub 2-y}S{sub y}O{sub 9} raw powders leads to the formation of La{sub 2}SO{sub 6}. At higher temperature, the exsolved La{sub 2}SO{sub 6} phase then decomposes into La{sub 2}O{sub 3}, which in turn reacts with the sulfur-depleted La{sub 2}Mo{sub 2}O{sub 9} phase to form La{sub 2}MoO{sub 6}. The present study also reveals that depending on the substitution rate y, the sulfur depletion can be induced by ball-milling of raw powders. Along the La{sub 2}Mo{sub 2-y}S{sub y}O{sub 9} series, the isovalent substitution of molybdenum by sulfur tends to restrict in magnitude, or even to suppress above 400 Degree-Sign C, the distortive thermal expansion of the cubic {beta}-type structure, thus strongly decreasing the conductance at high temperature. - Graphical abstract: La{sub 2}O{sub 3}-MoO{sub 3}-'SO{sub 3}' ternary phase diagram showing the exsolution path at low temperature (white arrows) and the total decomposition path at high temperature (black arrows) of {beta}-La{sub 2}Mo{sub 2-y}S{sub y}O{sub 9} raw powders. Highlights: Black-Right-Pointing-Pointer Isovalent substitution of molybdenum by sulfur in La{sub 2}Mo{sub 2}O{sub 9} up to 40 mol%. Black-Right-Pointing-Pointer Stabilization of the {beta}-form for a sulfur content greater than or equal to 5 mol%. Black-Right-Pointing-Pointer Decomposition by sulfur exsolution induced by thermal treatment or ball-milling. Black-Right-Pointing-Pointer Reduction or even cancellation of the distortive thermal expansion above 400 Degree-Sign C. Black-Right-Pointing-Pointer Decrease of conductance at high T involved by the low thermal expansion above 400 Degree-Sign C.

  3. DOE - Office of Legacy Management -- Petrolite Corp - MO 08

    Office of Legacy Management (LM)

    Materials Handled: Yes Primary Radioactive Materials Handled: Uranium Flouride & Thorium Oxide MO.08-2 Radiological Survey(s): None Indicated Site Status: Eliminated from ...

  4. ZIRCONIA-BASED MIXED POTENTIAL CARBON MONOXIDE/HYDROCARBON SENSORS WITH LANTHANUM MAGNESIUM OXIDE, AND TERBIUM-DOPED YTTRIUM STABILIZED ZIRCONIA ELECTRODES

    SciTech Connect (OSTI)

    E. L. BROSHA; R. MUKUNDAN; ET AL

    2000-10-01

    We have investigated the performance of dual metal oxide electrode mixed potential sensors in an engine-out, dynamometer environment. Sensors were fabricated by sputtering thin films of LaMnO{sub 3} and Tb-doped YSZ onto YSZ electrolyte. Au gauze held onto the metal oxide thin films with Au ink was used for current collection. The exhaust gas from a 4.8L, V8 engine operated in open loop, steady-state mode around stoichiometry at 1500 RPM and 50 Nm. The sensor showed a stable EMF response (with no hysteresis) to varying concentrations of total exhaust gas HC content. The sensor response was measured at 620 and 670 C and shows temperature behavior characteristic of mixed potential-type sensors. The results of these engine-dynamometer tests are encouraging; however, the limitations associated with Au current collection present the biggest impediment to automotive use.

  5. Magnesium Powertrain Cast Components | Department of Energy

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

    16_quinn.pdf More Documents & Publications Magnesium Front End Development (AMD 603/604/904) Magnesium Front End Development (AMD 603/604/904) Magnesium Front End Research and Development AMD 604

  6. Synthesis of magnesium diboride by magnesium vapor infiltration process (MVIP)

    DOE Patents [OSTI]

    Serquis, Adriana C.; Zhu, Yuntian T.; Mueller, Frederick M.; Peterson, Dean E.; Liao, Xiao Zhou

    2003-01-01

    A process of preparing superconducting magnesium diboride powder by heating an admixture of solid magnesium and amorphous boron powder or pellet under an inert atmosphere in a Mg:B ratio of greater than about 0.6:1 at temperatures and for time sufficient to form said superconducting magnesium diboride. The process can further include exposure to residual oxygen at high synthesis temperatures followed by slow cooling. In the cooling process oxygen atoms dissolved into MgB.sub.2 segregated to form nanometer-sized coherent Mg(B,O) precipitates in the MgB.sub.2 matrix, which can act as flux pinning centers.

  7. Oxide

    Energy Science and Technology Software Center (OSTI)

    2014-07-15

    Oxide is a modular framework for feature extraction and analysis of executable files. Oxide is useful in a variety of reverse engineering and categorization tasks relating to executable content.

  8. Synthesis Of Superconducting Magnesium Diboride Objects.

    DOE Patents [OSTI]

    Finnemore, Douglas K.; Canfield, Paul C.; Bud'ko, Sergey L.; Ostenson, Jerome E.; Petrovic, Cedomir; Cunningham, Charles E.; Lapertot, Gerard

    2003-07-08

    A process to produce magnesium diboride objects from boron objects with a similar form is presented. Boron objects are reacted with magnesium vapor at a predetermined time and temperature to form magnesium diboride objects having a morphology similar to the boron object's original morphology.

  9. Synthesis of superconducting magnesium diboride objects

    DOE Patents [OSTI]

    Finnemore, Douglas K.; Canfield, Paul C.; Bud'ko, Sergey L.; Ostenson, Jerome E.; Petrovic, Cedomir; Cunningham, Charles E.; Lapertot, Gerard

    2003-08-15

    A process to produce magnesium diboride objects from boron objects with a similar form is presented. Boron objects are reacted with magnesium vapor at a predetermined time and temperature to form magnesium diboride objects having a morphology similar to the boron object's original morphology.

  10. MoRu/Be multilayers for extreme ultraviolet applications

    DOE Patents [OSTI]

    Bajt, Sasa C.; Wall, Mark A.

    2001-01-01

    High reflectance, low intrinsic roughness and low stress multilayer systems for extreme ultraviolet (EUV) lithography comprise amorphous layers MoRu and crystalline Be layers. Reflectance greater than 70% has been demonstrated for MoRu/Be multilayers with 50 bilayer pairs. Optical throughput of MoRu/Be multilayers can be 30-40% higher than that of Mo/Be multilayer coatings. The throughput can be improved using a diffusion barrier to make sharper interfaces. A capping layer on the top surface of the multilayer improves the long-term reflectance and EUV radiation stability of the multilayer by forming a very thin native oxide that is water resistant.

  11. Ethanol Conversion on Cyclic (MO3)3 (M = Mo, W) Clusters

    SciTech Connect (OSTI)

    Li, Zhenjun; Fang, Zongtang; Kelley, Matthew S.; Kay, Bruce D.; Rousseau, Roger J.; Dohnalek, Zdenek; Dixon, David A.

    2014-03-06

    Oxides of molybdenum and tungsten are an important class of catalytic materials with applications ranging from isomerization of alkanes and alkenes, partial oxidation of alcohols, selective reduction of nitric oxide and metathesis of alkeness.[1-10] While many studies have focused on the structure - function relationships, the nature of high catalytic activity is still being extensively investigated. There is a general agreement that the activity of supported MOx (M = W, Mo) catalysts is correlated with the presence of acidic sites, where the catalytic activity is strongly affected by the type of oxide support, delocalization of electron density, structures of tungsten oxide domains and presence of protons

  12. Substrate and method for the formation of continuous magnesium diboride and doped magnesium diboride wire

    DOE Patents [OSTI]

    Suplinskas, Raymond J.; Finnemore, Douglas; Bud'ko, Serquei; Canfield, Paul

    2007-11-13

    A chemically doped boron coating is applied by chemical vapor deposition to a silicon carbide fiber and the coated fiber then is exposed to magnesium vapor to convert the doped boron to doped magnesium diboride and a resultant superconductor.

  13. Method for removing magnesium from aluminum-magnesium alloys with engineered scavenger compound

    SciTech Connect (OSTI)

    Riley, W.D.; Jong, B.W.

    1994-12-31

    The invention relates to a method for removal and production of high purity magnesium from aluminum-magnesium alloys using an engineered scanvenger compound. In particular, the invention relates to a method for removal and production of high purity magnesium from aluminum-magnesium alloys using the engineered scanvenger compound (ESC) lithium titanate (Li2O3TiO2). The removal of magnesium from the aluminum-magnesium alloys is performed at about 600-750 C in a molten salt bath of KCl or KCl-MgCl2 using lithium titanate (Li2O3TiO2) as the engineered scavenger compound (ESC). Electrode deposition of magnesium from the loaded ESC onto a stainless steel electrode is accomplished in a second step, and provides a clean magnesium electrode deposit for recycling. The second step also prepares the ESC for reuse.

  14. Stable magnesium peroxide at high pressure (Journal Article)...

    Office of Scientific and Technical Information (OSTI)

    Stable magnesium peroxide at high pressure Citation Details In-Document Search Title: Stable magnesium peroxide at high pressure Authors: Lobanov, Sergey S. ; Zhu, Qiang ; ...

  15. New Electrode Materials for Magnesium Batteries and Metal Anodes...

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

    Return to Search New Electrode Materials for Magnesium Batteries and Metal Anodes Beyond ... Technology Marketing Summary Magnesium ion batteries present a viable alternative to ...

  16. Scale-Up of Magnesium Production by Fully Stabilized Zirconia...

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

    Up of Magnesium Production by Fully Stabilized Zirconia Electrolysis Scale-Up of Magnesium Production by Fully Stabilized Zirconia Electrolysis 2012 DOE Hydrogen and Fuel Cells...

  17. Magnesium doping of boron nitride nanotubes

    DOE Patents [OSTI]

    Legg, Robert; Jordan, Kevin

    2015-06-16

    A method to fabricate boron nitride nanotubes incorporating magnesium diboride in their structure. In a first embodiment, magnesium wire is introduced into a reaction feed bundle during a BNNT fabrication process. In a second embodiment, magnesium in powder form is mixed into a nitrogen gas flow during the BNNT fabrication process. MgB.sub.2 yarn may be used for superconducting applications and, in that capacity, has considerably less susceptibility to stress and has considerably better thermal conductivity than these conventional materials when compared to both conventional low and high temperature superconducting materials.

  18. LOST FOAM CASTING OF MAGNESIUM ALLOYS

    SciTech Connect (OSTI)

    Han, Qingyou [ORNL; Dinwiddie, Ralph Barton [ORNL; Sklad, Philip S [ORNL; Currie, Kenneth [Tennessee Technological University; Abdelrahman, Mohamed [Tennessee Technological University; Vondra, Fred [Tennessee Technological University; Walford, Graham [Walford Technologies; Nolan, Dennis J [Foseco-Morval

    2007-01-01

    The lost foam casting process has been successfully used for making aluminum and cast iron thin walled castings of complex geometries. Little work has been carried out on cast magnesium alloys using the lost foam process. The article describes the research activities at Oak Ridge National Laboratory and Tennessee Technological University on lost foam casting of magnesium alloys. The work was focused on castings of simple geometries such as plate castings and window castings. The plate castings were designed to investigate the mold filling characteristics of magnesium and aluminum alloys using an infrared camera. The pate castings were then characterized for porosity distribution. The window castings were made to test the castability of the alloys under lost foam conditions. Significant differences between lost foam aluminum casting and lost foam magnesium casting have been observed.

  19. 9 Cr-- 1 Mo steel material for high temperature application

    DOE Patents [OSTI]

    Jablonski, Paul D; Alman, David; Dogan, Omer; Holcomb, Gordon; Cowen, Christopher

    2012-11-27

    One or more embodiments relates to a high-temperature, titanium alloyed, 9 Cr-1 Mo steel exhibiting improved creep strength and oxidation resistance at service temperatures up to 650.degree. C. The 9 Cr-1 Mo steel has a tempered martensite microstructure and is comprised of both large (0.5-3 .mu.m) primary titanium carbides and small (5-50 nm) secondary titanium carbides in a ratio of. from about 1:1.5 to about 1.5:1. The 9 Cr-1 Mo steel may be fabricated using exemplary austenizing, rapid cooling, and tempering steps without subsequent hot working requirements. The 9 Cr-1 Mo steel exhibits improvements in total mass gain, yield strength, and time-to-rupture over ASTM P91 and ASTM P92 at the temperature and time conditions examined.

  20. Mechanically Activated Combustion Synthesis of MoSi2-Based Composites

    SciTech Connect (OSTI)

    Shafirovich, Evgeny

    2015-09-30

    The thermal efficiency of gas-turbine power plants could be dramatically increased by the development of new structural materials based on molybdenum silicides and borosilicides, which can operate at temperatures higher than 1300 °C with no need for cooling. A major challenge, however, is to simultaneously achieve high oxidation resistance and acceptable mechanical properties at high temperatures. One approach is based on the fabrication of MoSi2-Mo5Si3 composites that combine high oxidation resistance of MoSi2 and good mechanical properties of Mo5Si3. Another approach involves the addition of boron to Mo-rich silicides for improving their oxidation resistance through the formation of a borosilicate surface layer. In particular, materials based on Mo5SiB2 phase are promising materials that offer favorable combinations of high temperature mechanical properties and oxidation resistance. However, the synthesis of Mo-Si-B multi-phase alloys is difficult because of their extremely high melting temperatures. Mechanical alloying has been considered as a promising method, but it requires long milling times, leading to large energy consumption and contamination of the product by grinding media. In the reported work, MoSi2-Mo5Si3 composites and several materials based on Mo5SiB2 phase have been obtained by mechanically activated self-propagating high-temperature synthesis (MASHS). Short-term milling of Mo/Si mixture in a planetary mill has enabled a self-sustained propagation of the combustion front over the mixture pellet, leading to the formation of MoSi2-T1 composites. Combustion of Mo/Si/B mixtures for the formation of T2 phase becomes possible if the composition is designed for the addition of more exothermic reactions leading to the formation of MoB, TiC, or TiB2. Upon ignition, Mo/Si/B and Mo/Si/B/Ti mixtures exhibited spin combustion, but the products were porous, contained undesired secondary phases, and had low oxidation resistance. It has been shown that use of SHS compaction (quasi-isostatic pressing after combustion) significantly improves oxidation resistance of the obtained MoSi2-Mo5Si3 composites. The “chemical oven” technique has been successfully employed to fabricate low-porous Mo5SiB2–TiC, Mo5SiB2–TiB2, and Mo–Mo5SiB2–Mo3Si materials. Among them, Mo5SiB2–TiB2 material possesses good mechanical properties and simultaneously exhibits excellent oxidation resistance at temperatures up to 1500 °C.

  1. Structure and Electronic Properties of MoVO type Mixed-metal...

    Office of Scientific and Technical Information (OSTI)

    and Theory Citation Details In-Document Search Title: Structure and Electronic Properties of MoVO type Mixed-metal Oxides a Combined View by Experiment and Theory Authors: ...

  2. US WNC MO Site Consumption

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

    WNC MO Site Consumption million Btu $0 $500 $1,000 $1,500 $2,000 $2,500 US WNC MO Expenditures dollars ALL ENERGY average per household (excl. transportation) 0 3,000 6,000 9,000 12,000 15,000 US WNC MO Site Consumption kilowatthours $0 $300 $600 $900 $1,200 $1,500 US WNC MO Expenditures dollars ELECTRICITY ONLY average per household * Missouri households consume an average of 100 million Btu per year, 12% more than the U.S. average. * Average household energy costs in Missouri are slightly less

  3. Friction Stir and Ultrasonic Solid State Joining of Magnesium...

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

    and Ultrasonic Solid State Joining of Magnesium to Steel Friction Stir and Ultrasonic Solid State Joining of Magnesium to Steel 2012 DOE Hydrogen and Fuel Cells Program and Vehicle ...

  4. Magnesium Front End Design and Development | Department of Energy

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

    9 DOE Hydrogen Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting, May 18-22, 2009 -- Washington D.C. PDF icon lm_21_quinn.pdf More Documents & Publications Magnesium Front End Research and Development AMD 604 Magnesium Front End Development (AMD 603/604/904) Magnesium Front End Research and Development AMD 604

  5. SOLID STATE JOINING OF MAGNESIUM TO STEEL

    SciTech Connect (OSTI)

    Jana, Saumyadeep; Hovanski, Yuri; Pilli, Siva Prasad; Field, David P.; Yu, Hao; Pan, Tsung-Yu; Santella, M. L.

    2012-06-04

    Friction stir welding and ultrasonic welding techniques were applied to join automotive magnesium alloys to steel sheet. The effect of tooling and process parameters on the post-weld microstructure, texture and mechanical properties was investigated. Static and dynamic loading were utilized to investigate the joint strength of both cast and wrought magnesium alloys including their susceptibility and degradation under corrosive media. The conditions required to produce joint strengths in excess of 75% of the base metal strength were determined, and the effects of surface coatings, tooling and weld parameters on weld properties are presented.

  6. Characterization of fold defects in AZ91D and AE42 magnesium alloy permanent mold castings

    SciTech Connect (OSTI)

    Bichler, L. [Centre for Near-net-shape Processing of Materials, Ryerson University, 101 Gerrard St. E., Toronto, M5B 2K3 (Canada); Ravindran, C., E-mail: rravindr@ryerson.ca [Centre for Near-net-shape Processing of Materials, Ryerson University, 101 Gerrard St. E., Toronto, M5B 2K3 (Canada)

    2010-03-15

    Casting premium-quality magnesium alloy components for aerospace and automotive applications poses unique challenges. Magnesium alloys are known to freeze rapidly prior to filling a casting cavity, resulting in misruns and cold shuts. In addition, melt oxidation, solute segregation and turbulent metal flow during casting contribute to the formation of fold defects. In this research, formation of fold defects in AZ91D and AE42 magnesium alloys cast via the permanent mold casting process was investigated. Computer simulations of the casting process predicted the development of a turbulent metal flow in a critical casting region with abrupt geometrical transitions. SEM and light optical microscopy examinations revealed the presence of folds in this region for both alloys. However, each alloy exhibited a unique mechanism responsible for fold formation. In the AZ91D alloy, melt oxidation and velocity gradients in the critical casting region prevented fusion of merging metal front streams. In the AE42 alloy, limited solubility of rare-earth intermetallic compounds in the {alpha}-Mg phase resulted in segregation of Al{sub 2}RE particles at the leading edge of a metal front and created microstructural inhomogeneity across the fold.

  7. Development of Integrated Die Casting Process for Large Thin-Wall Magnesium Applications Enabling Production of Lightweight Magnesium Parts for Near-Term Automotive Applications

    Broader source: Energy.gov [DOE]

    Development of Integrated Die Casting Process for Large Thin-Wall Magnesium Applications Enabling Production of Lightweight Magnesium Parts for Near-Term Automotive Applications

  8. High-quantum efficiency, long-lived luminescing refractory oxides

    DOE Patents [OSTI]

    Chen, Yok; Gonzalez, Roberto; Summers, Geoffrey P.

    1984-01-01

    A crystal having a high-quantum efficiency and a long period of luminescence is formed of an oxide selected from the group consisting of magnesium oxide and calcium oxide and possessing a concentration ratio of H.sup.- ions to F centers in the range of about 0.05 to about 10.

  9. Sol-Gel Preparation Of Lead Magnesium Ni Obate (Pmn) Powdersand Thin Films

    DOE Patents [OSTI]

    Boyle, Timothy J.

    1999-01-12

    A method of preparing a lead magnesium niobium oxide (PMN), Pb(Mg.sub.1/3 Nb.sub.2/3)O.sub.3, precursor solution by a solvent method wherein a liquid solution of a lead-complex PMN precursor is combined with a liquid solution of a niobium-complex PMN precursor, the combined lead- and niobium-complex liquid solutions are reacted with a magnesium-alkyl solution, forming a PMN precursor solution and a lead-based precipitate, and the precipitate is separated from the reacted liquid PMN precursor solution to form a precipitate-free PMN precursor solution. This precursor solution can be processed to form both ferroelectric powders and thin films.

  10. Sol-gel preparation of lead magnesium niobate (PMN) powders and thin films

    DOE Patents [OSTI]

    Boyle, T.J.

    1999-01-12

    A method of preparing a lead magnesium niobium oxide (PMN), Pb(Mg{sub 1/3}Nb{sub 2/3})O{sub 3}, precursor solution by a solvent method wherein a liquid solution of a lead-complex PMN precursor is combined with a liquid solution of a niobium-complex PMN precursor, the combined lead- and niobium-complex liquid solutions are reacted with a magnesium-alkyl solution, forming a PMN precursor solution and a lead-based precipitate, and the precipitate is separated from the reacted liquid PMN precursor solution to form a precipitate-free PMN precursor solution. This precursor solution can be processed to form both ferroelectric powders and thin films. 3 figs.

  11. Single Phase Melt Processed Powellite (Ba,Ca) MoO{sub 4} For The Immobilization Of Mo-Rich Nuclear Waste

    SciTech Connect (OSTI)

    Brinkman, Kyle; Marra, James; Fox, Kevin; Reppert, Jason; Crum, Jarrod; Tang, Ming

    2012-09-17

    Crystalline and glass composite materials are currently being investigated for the immobilization of combined High Level Waste (HLW) streams resulting from potential commercial fuel reprocessing scenarios. Several of these potential waste streams contain elevated levels of transition metal elements such as molybdenum (Mo). Molybdenum has limited solubility in typical silicate glasses used for nuclear waste immobilization. Under certain chemical and controlled cooling conditions, a powellite (Ba,Ca)MoO{sub 4} crystalline structure can be formed by reaction with alkaline earth elements. In this study, single phase BaMoO{sub 4} and CaMoO{sub 4} were formed from carbonate and oxide precursors demonstrating the viability of Mo incorporation into glass, crystalline or glass composite materials by a melt and crystallization process. X-ray diffraction, photoluminescence, and Raman spectroscopy indicated a long range ordered crystalline structure. In-situ electron irradiation studies indicated that both CaMoO{sub 4} and BaMoO{sub 4} powellite phases exhibit radiation stability up to 1000 years at anticipated doses with a crystalline to amorphous transition observed after 1 X 10{sup 13} Gy. Aqueous durability determined from product consistency tests (PCT) showed low normalized release rates for Ba, Ca, and Mo (<0.05 g/m{sup 2}).

  12. d::;":,",:::,, ST. LOUIS.7. MO,

    Office of Legacy Management (LM)

    i ,' CKRODT CHEMICAL d::;":,",:::,, ST. LOUIS.7. MO, PiARCH 14, ,jq;ll MR. H. L. PRICE, ... I AL PERAT I ONS DF MALL- INCKRODT ' CHEMICAL b:ORKS WOULD LIKE TO MAKE.APPLlCATlON ...

  13. Lead magnesium niobate actuator for micropositioning

    DOE Patents [OSTI]

    Swift, C.D.; Bergum, J.W.

    1994-10-25

    An improved lead magnesium niobate actuator is disclosed comprising a cylindrical lead magnesium niobate crystal stack mounted in a cylindrical casing wherein a bias means, such as one or more belleville washers, is located between one end of the crystal stack and a partially closed end of the casing; and adjustment means are provided which bear against the opposite end of the crystal stack, whereby an adjustable compressive force is constantly applied against the crystal stack, whether the crystal stack is actuated in an extended position, or is in an unactuated contracted position. In a preferred embodiment, cooling ports are provided for the circulation of coolant in the actuator to cool the crystal stack, and provision is made for removal and replacement of the crystal stack without disconnecting the actuator from the external device being actuated. 3 figs.

  14. Lead magnesium niobate actuator for micropositioning

    SciTech Connect (OSTI)

    Swift, Charles D.; Bergum, John W.

    1994-01-01

    An improved lead magnesium niobate actuator is disclosed comprising a cylindrical lead magnesium niobate crystal stack mounted in a cylindrical casing wherein a bias means, such as one or more belleville washers, is located between one end of the crystal stack and a partially closed end of the casing; and adjustment means are provided which bear against the opposite end of the crystal stack, whereby an adjustable compressive force is constantly applied against the crystal stack, whether the crystal stack is actuated in an extended position, or is in an unactuated contracted position. In a preferred embodiment, cooling ports are provided for the circulation of coolant in the actuator to cool the crystal stack, and provision is made for removal and replacement of the crystal stack without disconnecting the actuator from the external device being actuated.

  15. Lithium-aluminum-magnesium electrode composition

    DOE Patents [OSTI]

    Melendres, Carlos A.; Siegel, Stanley

    1978-01-01

    A negative electrode composition is presented for use in a secondary, high-temperature electrochemical cell. The cell also includes a molten salt electrolyte of alkali metal halides or alkaline earth metal halides and a positive electrode including a chalcogen or a metal chalcogenide as the active electrode material. The negative electrode composition includes up to 50 atom percent lithium as the active electrode constituent and a magnesium-aluminum alloy as a structural matrix. Various binary and ternary intermetallic phases of lithium, magnesium, and aluminum are formed but the electrode composition in both its charged and discharged state remains substantially free of the alpha lithium-aluminum phase and exhibits good structural integrity.

  16. Impurity control and corrosion resistance of magnesium-aluminum alloy

    SciTech Connect (OSTI)

    Liu, M. [GM China Lab] [GM China Lab; Song, GuangLing [ORNL] [ORNL

    2013-01-01

    The corrosion resistance of magnesium alloys is very sensitive to the contents of impurity elements such as iron. In this study, a series of diecast AXJ530 magnesium alloy samples were prepared with additions of Mn and Fe. Through a comprehensive phase diagram calculation and corrosion evaluation, the mechanisms for the tolerance limit of Fe in magnesium alloy are discussed. This adds a new dimension to control the alloying impurity in terms of alloying composition design and casting conditions.

  17. MAGNESIUM-BASED METHODS, SYSTEMS, AND DEVICES - Energy Innovation...

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

    Materials for Magnesium Batteries and Metal Anodes Abstract: An aspect of the present invention is an electrical device, where the device includes a current collector and a porous...

  18. Shear Rolling of Magnesium Sheet for Automotive, Defense, and...

    Office of Scientific and Technical Information (OSTI)

    Shear Rolling of Magnesium Sheet for Automotive, Defense, and Energy Applications Citation ... Visit OSTI to utilize additional information resources in energy science and technology. A ...

  19. Enhancements in Magnesium Die Casting Impact Properties (Technical...

    Office of Scientific and Technical Information (OSTI)

    Visit OSTI to utilize additional information resources in energy science and technology. A ... In many automotive applications, components can be made of magnesium or aluminum. While ...

  20. Magnesium Replacement of Aluminum Cast Components in a Production...

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

    to Effect Cost-Effective Mass Reduction Magnesium Replacement of Aluminum Cast Components in a Production V6 Engine to Effect Cost-Effective Mass Reduction Presentation given ...

  1. Fate of Magnesium Chloride Brine Applied to Suppress Dust from...

    Office of Scientific and Technical Information (OSTI)

    occurs primarily within 13 m of treated roads, but can extend as much as 30 m ... SEDIMENTS; SPATIAL DISTRIBUTION; SURFACE WATERS; WATER brine; dust; magnesium chloride; ...

  2. Shear Rolling of Magnesium Sheet for Automotive, Defense, and...

    Office of Scientific and Technical Information (OSTI)

    Title: Shear Rolling of Magnesium Sheet for Automotive, Defense, and Energy Applications Authors: Muralidharan, Govindarajan 1 ; Muth, Thomas R 1 ; Peter, William H 1 ; ...

  3. Rechargeable Magnesium Batteries: Low-Cost Rechargeable Magnesium Batteries with High Energy Density

    SciTech Connect (OSTI)

    2010-10-01

    BEEST Project: Pellion Technologies is developing rechargeable magnesium batteries that would enable an EV to travel 3 times farther than it could using Li-ion batteries. Prototype magnesium batteries demonstrate excellent electrochemical behavior; delivering thousands of charge cycles with very little fade. Nevertheless, these prototypes have always stored too little energy to be commercially viable. Pellion Technologies is working to overcome this challenge by rapidly screening potential storage materials using proprietary, high-throughput computer models. To date, 12,000 materials have been identified and analyzed. The resulting best materials have been electrochemically tested, yielding several very promising candidates.

  4. New Generation of MoSx Based Solid Lubricant Coatings: Recent Developments and Applications

    SciTech Connect (OSTI)

    Haider, Julfikar; Hashmi, M. S. J.

    2011-01-17

    In recent times, there is a growing interest in applying Molybdenum disulphide (MoS{sub x}) solid lubricant coatings on components to improve the tribological performance (i.e. lower friction coefficient and wear rate). The tribological performance of MoS{sub x} coating is strongly dependent on coating properties and tribological environment. MoS{sub x} coatings are highly successful in certain applications such as in space/vacuum technology, but its effectiveness is questioned in other terrestrial applications such as in cutting tool industry due to its lower hardness and poor oxidation resistance leading to shorter life. In order to circumvent this drawback, the paper identifies that current research is being concentrated on developing MoS{sub x} based coatings using three different approaches: (1) Metal or compound addition in MoS{sub x} coating (2)MoS{sub x} layer on hard coating and (3)MoS{sub x} addition in hard coating matrix. Although the primary objective is same in all three cases, the third approach is considered to be more effective in improving the tribological properties of the coating. Finally, the potential applications of MoS{sub x} based coatings in different industrial sectors have been briefly outlined.

  5. Casting Porosity-Free Grain Refined Magnesium Alloys

    SciTech Connect (OSTI)

    Schwam, David

    2013-08-12

    The objective of this project was to identify the root causes for micro-porosity in magnesium alloy castings and recommend remedies that can be implemented in production. The findings confirm the key role played by utilizing optimal gating and risering practices in minimizing porosity in magnesium castings.?

  6. In Situ Time-Resolved Characterization of Ni-MoO2 Catalysts for the Water-Gas Shift Reaction

    SciTech Connect (OSTI)

    Wen,W.; Calderon, J.; Brito, J.; Marinkovic, N.; Hanson, J.; Rodriquez, J.

    2008-01-01

    Active catalysts for the water-gas shift (WGS, CO + H2O ? H2 + CO2) reaction were synthesized from nickel molybdates ({beta}-NiMoO4 and nH2O{center_dot}NiMoO4) as precursors, and their structural transformations were monitored using in situ time-resolved X-ray diffraction and X-ray absorption near-edge spectroscopy. In general, the nickel molybdates were not stable and underwent partial reduction in the presence of CO or CO/H2O mixtures at high temperatures. The interaction of {beta}-NiMoO4 with the WGS reactants at 500 C led to the formation of a mixture of Ni (24 nm particle size) and MoO2 (10 nm particle size). These Ni-MoO2 systems displayed good catalytic activity at 350, 400, and 500 C. At 350 and 400 C, catalytic tests revealed that the Ni-MoO2 system was much more active than isolated Ni (some activity) or isolated MoO2 (negligible activity). Thus, cooperative interactions between the admetal and oxide support were probably responsible for the high WGS activity of Ni-MoO2. In a second synthetic approach, the NiMoO4 hydrate was reduced to a mixture of metallic Ni, NiO, and amorphous molybdenum oxide by direct reaction with H2 gas at 350 C. In the first pass of the water-gas shift reaction, MoO2 appeared gradually at 500 C with a concurrent increase of the catalytic activity. For these catalysts, the particle size of Ni (4 nm) was much smaller than that of the MoO2 (13 nm). These systems were found to be much more active WGS catalysts than Cu-MoO2, which in turn is superior to commercial low-temperature Cu-ZnO catalysts.

  7. Optimization of the Processing of Mo Disks

    SciTech Connect (OSTI)

    Tkac, Peter; Rotsch, David A.; Stepinski, Dominique; Makarashvili, Vakhtang; Harvey, James; Vandegrift, George F.

    2016-01-01

    The objective of this work is to decrease the processing time for irradiated disks of enriched Mo for the production of 99Mo. Results are given for the dissolution of nonirradiated Mo disks, optimization of the process for large-scale dissolution of sintered disks, optimization of the removal of the main side products (Zr and Nb) from dissolved targets, and dissolution of irradiated Mo disks.

  8. SSL Demonstration: Street Lighting, Kansas City, MO

    SciTech Connect (OSTI)

    2013-08-01

    GATEWAY program report brief summarizing an SSL street lighting demonstration at nine separate installations in Kansas City, MO.

  9. Synthesis of nanoscale magnesium diboride powder

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

    Finnemore, D. K.; Marzik, J. V.

    2015-12-18

    A procedure has been developed for the preparation of small grained magnesium diboride (MgB2) powder by reacting nanometer size boron powder in a magnesium vapor. Plasma synthesized boron powder that had particle sizes ranging from 20 to 300nm was mixed with millimeter size chunks of Mg by rolling stoichiometric amounts of the powders in a sealed cylindrical container under nitrogen gas. This mixture then was placed in a niobium reaction vessel, evacuated, and sealed by e-beam welding. The vessel was typically heated to approximately 830°C for several hours. The resulting MgB2 particles have a grain size in the 200 nmmore » to 800 nm range. Agglomerates of loosely bound particles could be broken up by light grinding in a mortar and pestle. At 830°C, many particles are composed of several grains grown together so that the average particle size is about twice the average grain size. Furthermore, experiments were conducted primarily with undoped boron powder, but carbon-doped boron powder showed very similar results.« less

  10. Microstructure evolution of Li uptake/removal in MoO{sub 2}@C nanoparticles with high lithium storage performance

    SciTech Connect (OSTI)

    Liu, Yulong; Zhang, Hong; Ouyang, Pan; Chen, Wenhao [School of Materials Science and Engineering, Central South University, Changsha 410083 (China); Li, Zhicheng, E-mail: zhchli@mail.csu.edu.cn [School of Materials Science and Engineering, Central South University, Changsha 410083 (China); State Key Laboratory of Powder Metallurgy, Central South University, Changsha 410083 (China)

    2014-02-01

    Highlights: The carbon-coated MoO{sub 2} (MoO{sub 2}@C) ultra fine nanoparticles are synthesized by one-pot hydrothermal method. MoO{sub 2}@C nanoparticles have high specific capacity, excellent cycling performance and rate performance. Phase transformations for lithium ion uptake/removal are examined carefully by TEM. Phase transformations are highly reversible during the redox process. - Abstract: A facile one pot strategy of a hydrothermal methodology was applied to synthesize the carbon coated MoO{sub 2} (MoO{sub 2}@C) nanostructured particles, which are composed of ultra fine nanoparticles with homogeneous carbon coating about several nanometers. As an electrode in lithium ion batteries, the MoO{sub 2}@C shows a high specific capacity and reversible capacity (730 mA h g{sup ?1} after 60 cycles). Microstructure investigations, by using a high resolution transmission electron microscopy, of the MoO{sub 2}@C based electrodes employed at various states during the first discharge/charge cycle were conducted to elucidate the lithium ion uptake/removal mechanism and cycling behavior. In the lithium uptake process, the original MoO{sub 2} phase transfers into Li{sub 0.98}MoO{sub 2} through an addition type reaction, and then nanosized metallic Mo emerges as a result of a conversion reaction. In turn, Mo could be oxidized to the intermediate Li{sub 0.98}MoO{sub 2} before converting to hyperfine MoO{sub 2} phase on upcoming lithium removal process.

  11. MoS{sub 2} nanotube exfoliation as new synthesis pathway to molybdenum blue

    SciTech Connect (OSTI)

    Visic, B.; Gunde, M. Klanjsek; Kovac, J.; Iskra, I.; Jelenc, J.; Remskar, M.; Centre of Excellence Namaste, Jamova cesta 39, SI-1000 Ljubljana

    2013-02-15

    Graphical abstract: . Display Omitted Highlights: ? New synthesis approach to obtaining molybdenum blue via exfoliated MoS{sub 2} nanotubes. ? Material is prone to self assembly and is stable in high vacuum. ? Molecules are as small as 2 nm and their clusters are up to tens of nanometers. ? Change in absorption and oxidation states from the precursor MoS{sub 2}. -- Abstract: Molybdenum blue-type materials are usually obtained by partially reducing Mo{sup VI+} in acidic solutions, while in the presented method it is formed in ethanol solution of exfoliated MoS{sub 2} nanotubes, where the MoS{sub 2} flakes are the preferential location for their growth. Material was investigated by means of scanning electron and atomic force microscopy, showing the structure and self assembly, while also confirming that it is stable in high vacuum with molecules as small as 1.6 nm and the agglomerates of few tens of nanometres. The ultravioletvisible and photoelectron spectrometry show the change in absorption properties and oxidation states from MoS{sub 2} structure to molybdenum blue, while the presence of sulphur suggests that this is a new type of molybdenum blue material.

  12. Method for the production of {sup 99m}Tc compositions from {sup 99}Mo-containing materials

    DOE Patents [OSTI]

    Bennett, R.G.; Christian, J.D.; Grover, S.B.; Petti, D.A.; Terry, W.K.; Yoon, W.Y.

    1998-09-01

    An improved method is described for producing {sup 99m}Tc compositions from {sup 99}Mo compounds. {sup 100}Mo metal or {sup 100}MoO{sub 3} is irradiated with photons in a particle (electron) accelerator to ultimately produce {sup 99}MoO{sub 3}. This composition is then heated in a reaction chamber to form a pool of molten {sup 99}MoO{sub 3} with an optimum depth of 0.5--5 mm. A gaseous mixture thereafter evolves from the molten {sup 99}MoO{sub 3} which contains vaporized {sup 99}MoO{sub 3}, vaporized {sup 99m}TcO{sub 3}, and vaporized {sup 99m}TcO{sub 2}. This mixture is then combined with an oxidizing gas (O{sub 2(g)}) to generate a gaseous stream containing vaporized {sup 99m}Tc{sub 2}O{sub 7} and vaporized {sup 99}MoO{sub 3}. Next, the gaseous stream is cooled in a primary condensation stage in the reaction chamber to remove vaporized {sup 99}MoO{sub 3}. Cooling is undertaken at a specially-controlled rate to achieve maximum separation efficiency. The gaseous stream is then cooled in a sequential secondary condensation stage to convert vaporized {sup 99m}Tc{sub 2}O{sub 7} into a condensed {sup 99m}Tc-containing reaction product which is collected. 1 fig.

  13. Method for the production of .sup.99m Tc compositions from .sup.99 Mo-containing materials

    DOE Patents [OSTI]

    Bennett, Ralph G.; Christian, Jerry D.; Grover, S. Blaine; Petti, David A.; Terry, William K.; Yoon, Woo Y.

    1998-01-01

    An improved method for producing .sup.99m Tc compositions from .sup.99 Mo compounds. .sup.100 Mo metal or .sup.100 MoO.sub.3 is irradiated with photons in a particle (electron) accelerator to ultimately produce .sup.99 MoO.sub.3. This composition is then heated in a reaction chamber to form a pool of molten .sup.99 MoO.sub.3 with an optimum depth of 0.5-5 mm. A gaseous mixture thereafter evolves from the molten .sup.99 MoO.sub.3 which contains vaporized .sup.99 MoO.sub.3, vaporized .sup.99m TcO.sub.3, and vaporized .sup.99m TcO.sub.2. This mixture is then combined with an oxidizing gas (O.sub.2(g)) to generate a gaseous stream containing vaporized .sup.99m Tc.sub.2 O.sub.7 and vaporized .sup.99 MoO.sub.3. Next, the gaseous stream is cooled in a primary condensation stage in the reaction chamber to remove vaporized .sup.99 MoO.sub.3. Cooling is undertaken at a specially-controlled rate to achieve maximum separation efficiency. The gaseous stream is then cooled in a sequential secondary condensation stage to convert vaporized .sup.99m Tc.sub.2 O.sub.7 into a condensed .sup.99m Tc-containing reaction product which is collected.

  14. Ames Lab 101: BAM (Boron-Aluminum-Magnesium)

    ScienceCinema (OSTI)

    Bruce Cook

    2013-06-05

    Materials scientist, Bruce Cook, discusses the super hard, low friction, and lubricious alloy know as BAM (Boron-Aluminum-Magnesium). BAM was discovered by Bruce Cook and his team a

  15. Highly conducting SrMoO{sub 3} thin films for microwave applications

    SciTech Connect (OSTI)

    Radetinac, Aldin Mani, Arzhang; Ziegler, Jrgen; Alff, Lambert; Komissinskiy, Philipp; Melnyk, Sergiy; Nikfalazar, Mohammad; Zheng, Yuliang; Jakoby, Rolf

    2014-09-15

    We have measured the microwave resistance of highly conducting perovskite oxide SrMoO{sub 3} thin film coplanar waveguides. The epitaxial SrMoO{sub 3} thin films were grown by pulsed laser deposition and showed low mosaicity and smooth surfaces with a root mean square roughness below 0.3?nm. Layer-by-layer growth could be achieved for film thicknesses up to 400?nm as monitored by reflection high-energy electron diffraction and confirmed by X-ray diffraction. We obtained a constant microwave resistivity of 29???cm between 0.1 and 20?GHz by refining the frequency dependence of the transmission coefficients. Our result shows that SrMoO{sub 3} is a viable candidate as a highly conducting electrode material for all-oxide microwave electronic devices.

  16. DOE - Office of Legacy Management -- Washington University - MO 07

    Office of Legacy Management (LM)

    Washington University - MO 07 FUSRAP Considered Sites Site: WASHINGTON UNIVERSITY (MO.07 ) Eliminated from consideration under FUSRAP Designated Name: Not Designated Alternate Name: None Location: St. Louis , Missouri MO.07-1 Evaluation Year: 1987 MO.07-1 Site Operations: Activities were limited to programs involving relatively small quantities of radionuclides and chemicals in a controlled environment. MO.07-3 MO.07-1 Site Disposition: Eliminated - Potential for contamination remote MO.07-1

  17. Improved Magnesium Molding Process (Thixomolding) | Department of Energy

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

    Improved Magnesium Molding Process (Thixomolding) Improved Magnesium Molding Process (Thixomolding) Improved Die Casting Process Substantially Reduces Energy, Waste, and Operating Costs Traditionally, die-cast molding results in product yields of 50% and creates waste - scrap, slag, and dross. The Thixomolding process, developed and demonstrated by Thixomat, Inc., with the help of a NICE3 grant, improves product yields to 90% while eliminating waste and loss of product to melting. The process is

  18. Interface-Induced Renormalization of Electrolyte Energy Levels in Magnesium

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

    Batteries - Joint Center for Energy Storage Research February 17, 2016, Research Highlights Interface-Induced Renormalization of Electrolyte Energy Levels in Magnesium Batteries Renormalization of solvent HOMO (green lines) and LUMO (red lines) levels due to interactions with Mg (0001) and MgO (001). The shaded region in the center of the figure represents the electrochemical window of a hypothetical 4V magnesium battery Scientific Achievement Interface-induced changes to the stability of

  19. BACKGROUND REVIEW OF THE BRUSH BERYLLIUM AND DIAMOND MAGNESIUM PLANTS

    Office of Legacy Management (LM)

    BACKGROUND REVIEW OF THE BRUSH BERYLLIUM AND DIAMOND MAGNESIUM PLANTS IN LUCKEY, OHIO October 27, 1989 Prepared for: U.S. Department of Energy Formerly Utilized Sites Remedial Action Program Prepared by: R.F. Weston/Office of Technical Services BACKGROUND REVIEW OF THE BRUSH BERYLLIUM AND DIAMOND MAGNESIUM PLANTS IN LUCKEY, OHIO INTRODUCTION The Department of Energy (DOE) is conducting a program to identify and examine the radiological conditions at sites used in the early years of nuclear

  20. High blue-near ultraviolet photodiode response of vertically stacked graphene-MoS{sub 2}-metal heterostructures

    SciTech Connect (OSTI)

    Wi, Sungjin; Chen, Mikai; Nam, Hongsuk; Liu, Amy C.; Meyhofer, Edgar; Liang, Xiaogan

    2014-06-09

    We present a study on the photodiode response of vertically stacked graphene/MoS{sub 2}/metal heterostructures in which MoS{sub 2} layers are doped with various plasma species. In comparison with undoped heterostructures, such doped ones exhibit significantly improved quantum efficiencies in both photovoltaic and photoconductive modes. This indicates that plasma-doping-induced built-in potentials play an important role in photocurrent generation. As compared to indium-tin-oxide/ MoS{sub 2}/metal structures, the presented graphene/MoS{sub 2}/metal heterostructures exhibit greatly enhanced quantum efficiencies in the blue-near ultraviolet region, which is attributed to the low density of recombination centers at graphene/MoS{sub 2} heterojunctions. This work advances the knowledge for making photo-response devices based on layered materials.

  1. Layered materials with improved magnesium intercalation for rechargeable magnesium ion cells

    DOE Patents [OSTI]

    Doe, Robert Ellis; Downie, Craig Michael; Fischer, Christopher; Lane, George Hamilton; Morgan, Dane; Nevin, Josh; Ceder, Gerbrand; Persson, Kristin Aslaug; Eaglesham, David

    2015-10-27

    Electrochemical devices which incorporate cathode materials that include layered crystalline compounds for which a structural modification has been achieved which increases the diffusion rate of multi-valent ions into and out of the cathode materials. Examples in which the layer spacing of the layered electrode materials is modified to have a specific spacing range such that the spacing is optimal for diffusion of magnesium ions are presented. An electrochemical cell comprised of a positive intercalation electrode, a negative metal electrode, and a separator impregnated with a nonaqeuous electrolyte solution containing multi-valent ions and arranged between the positive electrode and the negative electrode active material is described.

  2. Layered materials with improved magnesium intercalation for rechargeable magnesium ion cells

    DOE Patents [OSTI]

    Doe, Robert Ellis; Downie, Craig Michael; Fischer, Christopher; Lane, George Hamilton; Morgan, Dane; Nevin, Josh; Cedar, Gerbrand; Persson, Kristin Aslaug; Eaglesham, David

    2015-11-05

    Electrochemical devices which incorporate cathode materials that include layered crystalline compounds for which a structural modification has been achieved which increases the diffusion rate of multi-valent ions into and out of the cathode materials. Examples in which the layer spacing of the layered electrode materials is modified to have a specific spacing range such that the spacing is optimal for diffusion of magnesium ions are presented. An electrochemical cell comprised of a positive intercalation electrode, a negative metal electrode, and a separator impregnated with a nonaqeuous electrolyte solution containing multi-valent ions and arranged between the positive electrode and the negative electrode active material is described.

  3. Layered materials with improved magnesium intercalation for rechargeable magnesium ion cells

    DOE Patents [OSTI]

    Doe, Robert E.; Downie, Craig M.; Fischer, Christopher; Lane, George H.; Morgan, Dane; Nevin, Josh; Ceder, Gerbrand; Persson, Kristin A.; Eaglesham, David

    2016-01-19

    Electrochemical devices which incorporate cathode materials that include layered crystalline compounds for which a structural modification has been achieved which increases the diffusion rate of multi-valent ions into and out of the cathode materials. Examples in which the layer spacing of the layered electrode materials is modified to have a specific spacing range such that the spacing is optimal for diffusion of magnesium ions are presented. An electrochemical cell comprised of a positive intercalation electrode, a negative metal electrode, and a separator impregnated with a nonaqueous electrolyte solution containing multi-valent ions and arranged between the positive electrode and the negative electrode active material is described.

  4. Study of structure of the TiO{sub 2}MoO{sub 3} bilayer films by Raman spectroscopy

    SciTech Connect (OSTI)

    Santos, Elias de Barros; Sigoli, Fernando Aparecido; Mazali, Italo Odone

    2014-12-15

    Highlights: TiO{sub 2}MoO{sub 3} bilayer thin films were easily prepared by dip-coating technique. Ti and Mo metallo-organic compounds were used as source of its respective oxide. TiO{sub 2} in anatase phase and orthorhombic phase of ?-MoO{sub 3} were identified. The bilayer structure was investigated by Raman spectroscopy. - Abstract: In this work, TiO{sub 2}MoO{sub 3} films were easily prepared by dip-coating technique and metallo-organic decomposition process (MOD). Raman analyses indicate the formation of TiO{sub 2} in anatase phase and orthorhombic phase of ?-MoO{sub 3}. It was observed that the Raman bands intensities attributed to TiO{sub 2} and MoO{sub 3} oxides were dependent on the number of decompositiondeposition cycles (DDC). The different number of DDC generates films with different thicknesses and the Raman signal was sensitive to this variation. Raman analyses provided qualitative information about the bilayer structure of the bi-component TiO{sub 2}MoO{sub 3} films, which was confirmed by scanning electron microscopy. In this direction, the dip-coating technique and MOD process can be an efficient strategy to facile preparation of many samples to be used in applications.

  5. Mo99 Production Plant Layout

    SciTech Connect (OSTI)

    Woloshun, Keith Albert; Dale, Gregory E.; Naranjo, Angela Carol

    2015-06-25

    The NorthStar Medical Technologies 99Mo production facility configuration is envisioned to be 8 accelerator pairs irradiating 7 100Mo targets (one spare accelerator pair undergoing maintenance while the other 7 pairs are irradiating targets). The required shielding in every direction for the accelerators is initially estimated to be 10 feet of concrete. With the accelerator pairs on one (ground) level and spaced with the required shielding between adjacent pairs, the only practical path for target insertion and removal while minimizing floor space is vertical. The current scheme then requires a target vertical lift of nominally 10 feet through a shield stack. It is envisioned that the lift will be directly into a hot cell where an activated target can be removed from its holder and a new target attached and lowered. The hot cell is on a rail system so that a single hot cell can service all active target locations, as well as deliver the ready targets to the separations lab. On this rail system, coupled to the hot cell, will be a helium recovery and clean-up system. All helium coolant equipment is located on the upper level near to the target removal point.

  6. In Situ Time-Resolved Characterization of Novel Cu-MoO2 Catalysts During the Water-Gas Shift Reaction

    SciTech Connect (OSTI)

    Wen ,W.; Liu, J.; White, M.; Marinkovic, N.; Hanson, J.; Rodriguez, J.

    2007-01-01

    A novel and active Cu-MoO{sub 2} catalyst was synthesized by partial reduction of a precursor CuMoO{sub 4} mixed-metal oxide with CO or H{sub 2} at 200-250 C. The phase transformations of Cu-MoO{sub 2} during H{sub 2} reduction and the water-gas shift reaction could be followed by In situ time resolved XRD techniques. During the reduction process the diffraction pattern of the CuMoO{sub 4} collapsed and the copper metal lines were observed on an amorphous material background that was assigned to molybdenum oxides. During the first pass of water-gas shift (WGS) reaction, diffraction lines for Cu{sub 6}Mo{sub 5}O{sub 18} and MoO{sub 2} appeared around 350 C and Cu{sub 6}Mo{sub 5}O{sub 18} was further transformed to Cu/MoO{sub 2} at higher temperature. During subsequent passes, significant WGS catalytic activity was observed with relatively stable plateaus in product formation around 350, 400 and 500 C. The interfacial interactions between Cu clusters and MoO{sub 2} increased the water-gas shift catalytic activities at 350 and 400 C.

  7. The Unexpected Discovery of the Mg(HMDS)2/MgCl2 Complex as a Magnesium

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

    Electrolyte for Rechargeable Magnesium Batteries - Joint Center for Energy Storage Research February 2, 2015, Research Highlights The Unexpected Discovery of the Mg(HMDS)2/MgCl2 Complex as a Magnesium Electrolyte for Rechargeable Magnesium Batteries NMR confirms formation of new species Scientific Achievement A simple mixture of magnesium compounds: magnesium hexamethyldisilazide (Mg(HMDS)2) and magnesium chloride (MgCl2) was prepared to achieve reversible Mg deposition/dissolution, a wide

  8. Formation of magnesium silicate hydrate (M-S-H) cement pastes using sodium hexametaphosphate

    SciTech Connect (OSTI)

    Zhang, Tingting; Vandeperre, Luc J.; Cheeseman, Christopher R.

    2014-11-15

    Magnesium silicate hydrate (M-S-H) gel is formed by the reaction of brucite with amorphous silica during sulphate attack in concrete and M-S-H is therefore regarded as having limited cementing properties. The aim of this work was to form M-S-H pastes, characterise the hydration reactions and assess the resulting properties. It is shown that M-S-H pastes can be prepared by reacting magnesium oxide (MgO) and silica fume (SF) at low water to solid ratio using sodium hexametaphosphate (NaHMP) as a dispersant. Characterisation of the hydration reactions by x-ray diffraction and thermogravimetric analysis shows that brucite and M-S-H gel are formed and that for samples containing 60 wt.% SF and 40 wt.% MgO all of the brucites react with SF to form M-S-H gel. These M-S-H cement pastes were found to have compressive strengths in excess of 70 MPa.

  9. DOE - Office of Legacy Management -- Spencer Chemical Co - MO...

    Office of Legacy Management (LM)

    MO 0-01 FUSRAP Considered Sites Site: SPENCER CHEMICAL CO. (MO.0-01) Eliminated from ... Also see Documents Related to SPENCER CHEMICAL CO. MO.0-01-1 - Spencer Chemical Company ...

  10. DOE - Office of Legacy Management -- St Louis Airport - MO 01

    Office of Legacy Management (LM)

    Operations: Stored uranium process residues containing uranium, radium, and thorium for the MED and AEC. MO.01-2 MO.01-3 MO.01-4 Eligibility Determination: Eligible ...

  11. Extreme ultraviolet spectra of highly ionized Ge, Kr and Mo emitted by imploding plasmas

    SciTech Connect (OSTI)

    Goldsmith, S.; Feldman, U.; Cohen, L.; Behring, W.E.

    1984-01-01

    Spectra of highly ionized Ge, Kr and Mo in the spectral region of 10 to 80A were excited in laser-produced plasmas. The plasma was obtained by focusing the energy of the 24 laser beams of the University of Rochester Omega system on 0.4 mm diameter microballoon targets. The laser pulse duration was in the range of 0.87 to 1.09 ns, with total energy in the range of 1.8 to 2.2 kJ. The observed spectral lines include n = 2-2 transitions in the oxygen and fluorine isoelectronic sequences and n = 3 to 4 transitions in the sodium, magnesium and aluminum isoelectronic sequences. The present observations are compared with previous experimental and theoretical studies.

  12. Development of High-Volume Warm Forming of Low-Cost Magnesium...

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

    High-Volume Warm Forming of Low-Cost Magnesium Sheet Development of High-Volume Warm Forming of Low-Cost Magnesium Sheet 2009 DOE Hydrogen Program and Vehicle Technologies Program...

  13. Development of High-Volume Warm Forming of Low-Cost Magnesium...

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

    of High-Volume Warm Forming of Low-Cost Magnesium Sheet Development of High-Volume Warm Forming of Low-Cost Magnesium Sheet 2010 DOE Vehicle Technologies and Hydrogen Programs...

  14. Phase Diagram and Equation of State of Magnesium to High Pressures...

    Office of Scientific and Technical Information (OSTI)

    Phase Diagram and Equation of State of Magnesium to High Pressures and High Temperatures Citation Details In-Document Search Title: Phase Diagram and Equation of State of Magnesium ...

  15. Missouri Department of National Resources Energy Center Mo DNR...

    Open Energy Info (EERE)

    Department of National Resources Energy Center Mo DNR Jump to: navigation, search Name: Missouri Department of National Resources Energy Center (Mo DNR) Place: Jefferson City,...

  16. DOE - Office of Legacy Management -- United Nuclear Corp - MO...

    Office of Legacy Management (LM)

    Nuclear Corp - MO 0-03 FUSRAP Considered Sites Site: UNITED NUCLEAR CORP. (MO.0-03) Eliminated from further consideration under FUSRAP Designated Name: Not Designated Alternate ...

  17. Demonstration of LED Street Lighting in Kansas City, MO (Technical...

    Office of Scientific and Technical Information (OSTI)

    Demonstration of LED Street Lighting in Kansas City, MO Citation Details In-Document Search Title: Demonstration of LED Street Lighting in Kansas City, MO Nine different ...

  18. Update to M&O Contractor Model Subcontract entitled "Standard...

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

    to M&O Contractor Model Subcontract entitled "Standard Research Subcontract (Educational Institution or Nonprofit Organization)" Update to M&O Contractor Model Subcontract entitled ...

  19. Tuning the electronic structure of monolayer graphene/ Mo S 2...

    Office of Scientific and Technical Information (OSTI)

    Tuning the electronic structure of monolayer graphene Mo S 2 van der Waals ... Title: Tuning the electronic structure of monolayer graphene Mo S 2 van der Waals ...

  20. DOE - Office of Legacy Management -- West Lake Landfill - MO...

    Office of Legacy Management (LM)

    Lake Landfill - MO 05 FUSRAP Considered Sites Site: West Lake Landfill (MO.05) Designated Name: Alternate Name: Location: Evaluation Year: Site Operations: Site Disposition:...

  1. Novel Processing of mo-si-b Intermetallics for improved efficiency of power systems

    SciTech Connect (OSTI)

    M.J. Kramer; O. Degirmen; A.J. Thom; M. Akinc

    2004-09-30

    Multiphase composite alloys based on the Mo-Si-B system are candidate materials for ultra-high temperature applications. In non load-bearing applications such as thermal barrier coatings or heat exchangers in fossil fuel burners, these materials may be ideally suited. Alloys based on the Mo{sub 5}Si{sub 3}B{sub x} phase (Tl phase) possess excellent oxidation resistance to at least 1600 C in synthetic air atmospheres. However, the ability of Tl-based alloys to resist aggressive combustion environments has not yet been determined. The present work seeks to investigate the resistance of these Mo-Si-B alloys to simulated combustion atmospheres. Material was pre-alloyed by combustion synthesis, and samples for testing were prepared by classic powder metallurgical processing techniques. Precursor material synthesized by self-heating-synthesis was sintered to densities exceeding 98% in an argon atmosphere at 1800 C. The approximate phase assemblage of the material was 57% Tl, 29% MoB, 14% MoSi{sub 2} (wt%). The alloy was oxidized from 1000-1100 C in flowing air containing water vapor at 18 Torr. At 1000 C the material achieved a steady state mass loss, and at 1100 C the material undergoes a steady state mass gain. The oxidation rate of these alloys in this temperature regime was accelerated by the presence of water vapor compared to oxidation in dry air. The results of microstructural analysis of the tested alloys will be discussed. Techniques and preliminary results for fabricating near-net-shaped parts will also be presented.

  2. Gas sensing properties of magnesium doped SnO{sub 2} thin films in relation to AC conduction

    SciTech Connect (OSTI)

    Deepa, S.; Skariah, Benoy Thomas, Boben; Joseph, Anisha

    2014-01-28

    Conducting magnesium doped (0 to 1.5 wt %) tin oxide thin films prepared by Spray Pyrolysis technique achieved detection of 1000 ppm of LPG. The films deposited at 304 C exhibit an enhanced response at an operating temperature of 350 C. The microstructural properties are studied by means of X-ray diffraction. AC conductivity measurements are carried out using precision LCR meter to analyze the parameters that affect the variation in sensing. The results are correlated with compositional parameters and the subsequent modification in the charge transport mechanism facilitating an enhanced LPG sensing action.

  3. Nanostructured material for advanced energy storage : magnesium battery cathode development.

    SciTech Connect (OSTI)

    Sigmund, Wolfgang M.; Woan, Karran V.; Bell, Nelson Simmons

    2010-11-01

    Magnesium batteries are alternatives to the use of lithium ion and nickel metal hydride secondary batteries due to magnesium's abundance, safety of operation, and lower toxicity of disposal. The divalency of the magnesium ion and its chemistry poses some difficulties for its general and industrial use. This work developed a continuous and fibrous nanoscale network of the cathode material through the use of electrospinning with the goal of enhancing performance and reactivity of the battery. The system was characterized and preliminary tests were performed on the constructed battery cells. We were successful in building and testing a series of electrochemical systems that demonstrated good cyclability maintaining 60-70% of discharge capacity after more than 50 charge-discharge cycles.

  4. A Lewis Acid-free and Phenolate-based Magnesium Electrolyte for

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

    Rechargeable Magnesium Batteries - Joint Center for Energy Storage Research March 2, 2015, Research Highlights A Lewis Acid-free and Phenolate-based Magnesium Electrolyte for Rechargeable Magnesium Batteries X-ray single crystal isolated from the electrolyte containing the prototype [Mg2Cl3(THF)6]+ cation Scientific Achievement A novel Lewis acid-free all magnesium electrolyte containing 2,6-di-tert-butylphenoxidemagnesium chloride ((DTBP)MgCl + MgCl2) has been deliberately developed. The

  5. Evaluation of the Magnesium Hydroxide Treatment Process for Stabilizing PFP Plutonium/Nitric Acid Solutions

    SciTech Connect (OSTI)

    Gerber, Mark A.; Schmidt, Andrew J.; Delegard, Calvin H.; Silvers, Kurt L.; Baker, Aaron B.; Gano, Susan R.; Thornton, Brenda M.

    2000-09-28

    This document summarizes an evaluation of the magnesium hydroxide [Mg(OH)2] process to be used at the Hanford Plutonium Finishing Plant (PFP) for stabilizing plutonium/nitric acid solutions to meet the goal of stabilizing the plutonium in an oxide form suitable for storage under DOE-STD-3013-99. During the treatment process, nitric acid solutions bearing plutonium nitrate are neutralized with Mg(OH)2 in an air sparge reactor. The resulting slurry, containing plutonium hydroxide, is filtered and calcined. The process evaluation included a literature review and extensive laboratory- and bench-scale testing. The testing was conducted using cerium as a surrogate for plutonium to identify and quantify the effects of key processing variables on processing time (primarily neutralization and filtration time) and calcined product properties.

  6. Thermophysical Properties of U-10MO Alloy

    SciTech Connect (OSTI)

    A. M. Phillips; G. S. Mickum; D. E. Burkes

    2010-11-01

    This report provides an overview of thermophysical properties of unirradiated uranium alloyed with ten weight percent molybdenum (U 10Mo), with particular focus on those material properties needed for modeling of new fuels for HPRRs (High Performance Research Reactors). The report contains both historical data available in the literature on U-10Mo, as well as more recent results conducted by the Global Threat Reduction Initiative fuel development program. The main use of the report is intended as a standard U-10Mo alloy properties reference for reactor models and simulations.

  7. Tribological properties of self-lubricating NiAl/Mo-based composites containing AgVO{sub 3} nanowires

    SciTech Connect (OSTI)

    Liu, Eryong; Gao, Yimin; Bai, Yaping; Yi, Gewen; Wang, Wenzhen; Zeng, Zhixiang; Jia, Junhong

    2014-11-15

    Silver vanadate (AgVO{sub 3}) nanowires were synthesized by hydrothermal method and self-lubricating NiAl/Mo-AgVO{sub 3} composites were fabricated by powder metallurgy technique. The composition and microstructure of NiAl/Mo-based composites were characterized and the tribological properties were investigated from room temperature to 900 C. The results showed that NiAl/Mo-based composites were consisted of nanocrystalline B2 ordered NiAl matrix, Al{sub 2}O{sub 3}, Mo{sub 2}C, metallic Ag and vanadium oxide phase. The appearance of metallic Ag and vanadium oxide phase can be attributed to the decomposition of AgVO{sub 3} during sintering. Wear testing results confirmed that NiAl/Mo-based composites have excellent tribological properties over a wide temperature range. For example, the friction coefficient and wear rate of NiAl/Mo-based composites containing AgVO{sub 3} were significantly lower than the composites containing only metallic Mo or AgVO{sub 3} lubricant when the temperature is above 300 C, which can be attributed to the synergistic lubricating action of metallic Mo and AgVO{sub 3} lubricants. Furthermore, Raman results indicated that the composition on the worn surface of NiAl-based composites was self-adjusted after wear testing at different temperatures. For example, Ag{sub 3}VO{sub 4} and Fe{sub 3}O{sub 4} lubricants were responsible for the improvement of tribological properties at 500 C, AgVO{sub 3}, Ag{sub 3}VO{sub 4} and molybdate for 700 C, and AgVO{sub 3} and molybdate for 900 C of NiAl-based composites with the addition of metallic Mo and AgVO{sub 3}. - Highlights: NiAl/Mo-AgVO{sub 3} nanocomposites were prepared by mechanical alloying and sintering. AgVO{sub 3} decomposed to metallic Ag and vanadium oxide during the sintering process. NiAl/Mo-AgVO{sub 3} exhibited superior tribological properties at a board temperature range. Phase composition on the worn surface was varied with temperatures. Self-adjusted action was responsible for the improvement of tribological properties.

  8. Mo Year Report Period: EIA ID NUMBER:

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

    Mo Year Report Period: EIA ID NUMBER: http:www.eia.govsurveyformeia14instructions.pdf Mailing Address: Secure File Transfer option available at: (e.g., PO Box, RR) https:...

  9. Release on M&O Selection Final

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

    Federal Services LLC, of Bethesda, Maryland) has been awarded a 1.3 billion contract for management and operating (M&O) at DOE's Waste Isolation Pilot Plant (WIPP) in Carlsbad,...

  10. FeAl and Mo-Si-B Intermetallic Coatings Prepared by Thermal Spraying

    SciTech Connect (OSTI)

    Totemeier, T.C.; Wright, R.N.; Swank, W.D.

    2003-04-22

    FeAl and Mo-Si-B intermetallic coatings for elevated temperature environmental resistance were prepared using high-velocity oxy-fuel (HVOF) and air plasma spray (APS) techniques. For both coating types, the effect of coating parameters (spray particle velocity and temperature) on the microstructure and physical properties of the coatings was assessed. Fe-24Al (wt.%) coatings were prepared using HVOF thermal spraying at spray particle velocities varying from 540 m/s to 700 m/s. Mo-13.4Si-2.6B coatings were prepared using APS at particle velocities of 180 and 350 m/s. Residual stresses in the HVOF FeAl coatings were compressive, while stresses in the APS Mo-Si-B coatings were tensile. In both cases, residual stresses became more compressive with increasing spray particle velocity due to increased peening imparted by the spray particles. The hardness and elastic moduli of FeAl coatings also increased with increasing particle velocity, again due to an increased peening effect. For Mo-Si-B coatings, plasma spraying at 180 m/s resulted in significant oxidation of the spray particles and conversion of the T1 phase into amorphous silica and {alpha}-Mo. The T1 phase was retained after spraying at 350 m/s.

  11. REGENERATION OF FISSION-PRODUCT-CONTAINING MAGNESIUM-THORIUM ALLOYS

    DOE Patents [OSTI]

    Chiotti, P.

    1964-02-01

    A process of regenerating a magnesium-thorium alloy contaminated with fission products, protactinium, and uranium is presented. A molten mixture of KCl--LiCl-MgCl/sub 2/ is added to the molten alloy whereby the alkali, alkaline parth, and rare earth fission products (including yttrium) and some of the thorium and uranium are chlorinated and

  12. Preparation and structural study from neutron diffraction data of Pr{sub 5}Mo{sub 3}O{sub 16}

    SciTech Connect (OSTI)

    Martinez-Lope, M.J.; Alonso, J.A.; Sheptyakov, D.; Pomjakushin, V.

    2010-12-15

    The title compound has been prepared as polycrystalline powder by thermal treatments of mixtures of Pr{sub 6}O{sub 11} and MoO{sub 2} in air. In the literature, an oxide with a composition Pr{sub 2}MoO{sub 6} has been formerly described to present interesting catalytic properties, but its true stoichiometry and crystal structure are reported here for the first time. It is cubic, isostructural with CdTm{sub 4}Mo{sub 3}O{sub 16} (space group Pn-3n, Z=8), with a=11.0897(1) A. The structure contains MoO{sub 4} tetrahedral units, with Mo-O distances of 1.788(2) A, fully long-range ordered with PrO{sub 8} polyhedra; in fact it can be considered as a superstructure of fluorite (M{sub 8}O{sub 16}), containing 32 MO{sub 2} fluorite formulae per unit cell, with a lattice parameter related to that of cubic fluorite (a{sub f}=5.5 A) as a{approx}2a{sub f}. A bond valence study indicates that Mo exhibits a mixed oxidation state between 5+ and 6+ (perhaps accounting for the excellent catalytic properties). One kind of Pr atoms is trivalent whereas the second presents a mixed Pr{sup 3+}-Pr{sup 4+} oxidation state. The similarity of the XRD pattern with that published for Ce{sub 2}MoO{sub 6} suggests that this compound also belongs to the same structural type, with an actual stoichiometry Ce{sub 5}Mo{sub 3}O{sub 16}. -- Graphical Abstract: Formerly formulated as Pr{sub 2}MoO{sub 6}, the title compound is a cubic superstructure of fluorite (a=11.0897(1) A, space group Pn-3n) due to the long-range ordering of PrO{sub 8} scalenohedra and MoO{sub 4} tetrahedral units, showing noticeable shifts of the oxygen positions in order to provide a tetrahedral coordination for Mo ions. A mixed valence Mo{sup 5+}-Mo{sup 6+} is identified, which could account for the excellent catalytic properties of this material. Display Omitted

  13. Electrolytic conditioning of a magnesium aluminum chloride complex for reversible magnesium deposition

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

    Barile, Christopher J.; Barile, Elizabeth C.; Zavadil, Kevin R.; Nuzzo, Ralph G.; Gewirth, Andrew A.

    2014-12-04

    We describe in this report the electrochemistry of Mg deposition and dissolution from the magnesium aluminum chloride complex (MACC). The results define the requirements for reversible Mg deposition and definitively establish that voltammetric cycling of the electrolyte significantly alters its composition and performance. Elemental analysis, scanning electron microscopy, and energy-dispersive X-ray spectroscopy (SEM-EDS) results demonstrate that irreversible Mg and Al deposits form during early cycles. Electrospray ionization-mass spectrometry (ESI-MS) data show that inhibitory oligomers develop in THF-based solutions. These oligomers form via the well-established mechanism of a cationic ring-opening polymerization of THF during the initial synthesis of the MACC andmore » under resting conditions. In contrast, MACC solutions in 1,2-dimethoxyethane (DME), an acyclic solvent, do not evolve as dramatically at open circuit potential. Furthermore, we propose a mechanism describing how the conditioning process of the MACC in THF improves its performance by both tuning the Mg:Al stoichiometry and eliminating oligomers.« less

  14. Electrolytic conditioning of a magnesium aluminum chloride complex for reversible magnesium deposition

    SciTech Connect (OSTI)

    Barile, Christopher J.; Barile, Elizabeth C.; Zavadil, Kevin R.; Nuzzo, Ralph G.; Gewirth, Andrew A.

    2014-12-04

    We describe in this report the electrochemistry of Mg deposition and dissolution from the magnesium aluminum chloride complex (MACC). The results define the requirements for reversible Mg deposition and definitively establish that voltammetric cycling of the electrolyte significantly alters its composition and performance. Elemental analysis, scanning electron microscopy, and energy-dispersive X-ray spectroscopy (SEM-EDS) results demonstrate that irreversible Mg and Al deposits form during early cycles. Electrospray ionization-mass spectrometry (ESI-MS) data show that inhibitory oligomers develop in THF-based solutions. These oligomers form via the well-established mechanism of a cationic ring-opening polymerization of THF during the initial synthesis of the MACC and under resting conditions. In contrast, MACC solutions in 1,2-dimethoxyethane (DME), an acyclic solvent, do not evolve as dramatically at open circuit potential. Furthermore, we propose a mechanism describing how the conditioning process of the MACC in THF improves its performance by both tuning the Mg:Al stoichiometry and eliminating oligomers.

  15. Regeneration of sulfated metal oxides and carbonates

    DOE Patents [OSTI]

    Hubble, Bill R.; Siegel, Stanley; Cunningham, Paul T.

    1978-03-28

    Alkali metal or alkaline earth metal carbonates such as calcium carbonate and magnesium carbonate found in dolomite or limestone are employed for removal of sulfur dioxide from combustion exhaust gases. The sulfated carbonates are regenerated to oxides through use of a solid-solid reaction, particularly calcium sulfide with calcium sulfate to form calcium oxide and sulfur dioxide gas. The regeneration is performed by contacting the sulfated material with a reductant gas such as hydrogen within an inert diluent to produce calcium sulfide in mixture with the sulfate under process conditions selected to permit the sulfide-sulfate, solid-state reaction to occur.

  16. Chemical conversion coating for protecting magnesium alloys from corrosion

    DOE Patents [OSTI]

    Bhargava, Gaurang; Allen, Fred M.; Skandan, Ganesh; Hornish, Peter; Jain, Mohit

    2016-01-05

    A chromate-free, self-healing conversion coating solution for magnesium alloy substrates, composed of 10-20 wt. % Mg(NO.sub.3).sub.2.6H.sub.2O, 1-5 wt. % Al(NO.sub.3).sub.3.9H.sub.2O, and less than 1 wt. % of [V.sub.10O.sub.28].sup.6- or VO.sub.3.sup.- dissolved in water. The corrosion resistance offered by the resulting coating is in several hundreds of hours in salt-spray testing. This prolonged corrosion protection is attributed to the creation of a unique structure and morphology of the conversion coating that serves as a barrier coating with self-healing properties. Hydroxoaluminates form the backbone of the barrier protection offered while the magnesium hydroxide domains facilitate the "slow release" of vanadium compounds as self-healing moieties to defect sites, thus providing active corrosion protection.

  17. Passivation Dynamics in the Anisotropic Deposition and Stripping of Bulk Magnesium Electrodes During Electrochemical Cycling

    SciTech Connect (OSTI)

    Wetzel, David J.; Malone, Marvin A.; Haasch, Richard T.; Meng, Yifei; Vieker, Henning; Hahn, Nathan; Golzhauser, Armin; Zuo, Jian-Min; Zavadil, Kevin R.; Gewirth, Andrew A.; Nuzzo, Ralph G.

    2015-08-10

    Rechargeable magnesium (Mg) batteries show promise for use as a next generation technology for high-density energy storage, though little is known about the Mg anode solid electrolyte interphase and its implications for the performance and durability of a Mg-based battery. We explore in this report passivation effects engendered during the electrochemical cycling of a bulk Mg anode, characterizing their influences during metal deposition and dissolution in a simple, nonaqueous, Grignard electrolyte solution (ethylmagnesium bromide, EtMgBr, in tetrahydrofuran). Scanning electron microscopy images of Mg foil working electrodes after electrochemical polarization to dissolution potentials show the formation of corrosion pits. The pit densities so evidenced are markedly potential-dependent. When the Mg working electrode is cycled both potentiostatically and galvanostatically in EtMgBr these pits, formed due to passive layer breakdown, act as the foci for subsequent electrochemical activity. Detailed microscopy, diffraction, and spectroscopic data show that further passivation and corrosion results in the anisotropic stripping of the Mg {0001} plane, leaving thin oxide-comprising passivated side wall structures that demark the {0001} fiber texture of the etched Mg grains. Upon long-term cycling, oxide side walls formed due to the pronounced crystallographic anisotropy of the anodic stripping processes, leading to complex overlay anisotropic, columnar structures, exceeding 50 ?m in height. Finally, the passive responses mediating the growth of these structures appear to be an intrinsic feature of the electrochemical growth and dissolution of Mg using this electrolyte.

  18. Passivation dynamics in the anisotropic deposition and stripping of bulk magnesium electrodes during electrochemical cycling

    SciTech Connect (OSTI)

    Wetzel, David J.; Malone, Marvin A.; Haasch, Richard T.; Meng, Yifei; Vieker, Henning; Hahn, Nathan; Golzhauser, Armin; Zuo, Jian-Min; Zavadil, Kevin R.; Gewirth, Andrew A.; Nuzzo, Ralph G.

    2015-08-10

    Rechargeable magnesium (Mg) batteries show promise for use as a next generation technology for high-density energy storage, though little is known about the Mg anode solid electrolyte interphase and its implications for the performance and durability of a Mg-based battery. We explore in this report passivation effects engendered during the electrochemical cycling of a bulk Mg anode, characterizing their influences during metal deposition and dissolution in a simple, nonaqueous, Grignard electrolyte solution (ethylmagnesium bromide, EtMgBr, in tetrahydrofuran). Scanning electron microscopy images of Mg foil working electrodes after electrochemical polarization to dissolution potentials show the formation of corrosion pits. The pit densities so evidenced are markedly potential-dependent. When the Mg working electrode is cycled both potentiostatically and galvanostatically in EtMgBr these pits, formed due to passive layer breakdown, act as the foci for subsequent electrochemical activity. Detailed microscopy, diffraction, and spectroscopic data show that further passivation and corrosion results in the anisotropic stripping of the Mg {0001} plane, leaving thin oxide-comprising passivated side wall structures that demark the {0001} fiber texture of the etched Mg grains. Upon long-term cycling, oxide side walls formed due to the pronounced crystallographic anisotropy of the anodic stripping processes, leading to complex overlay anisotropic, columnar structures, exceeding 50 μm in height. Finally, the passive responses mediating the growth of these structures appear to be an intrinsic feature of the electrochemical growth and dissolution of Mg using this electrolyte.

  19. Elevated Temperature Tensile Tests on DU–10Mo Rolled Foils

    SciTech Connect (OSTI)

    Schulthess, Jason

    2014-09-01

    Tensile mechanical properties for uranium-10 wt.% molybdenum (U–10Mo) foils are required to support modeling and qualification of new monolithic fuel plate designs. It is expected that depleted uranium-10 wt% Mo (DU–10Mo) mechanical behavior is representative of the low enriched U–10Mo to be used in the actual fuel plates, therefore DU-10Mo was studied to simplify material processing, handling, and testing requirements. In this report, tensile testing of DU-10Mo fuel foils prepared using four different thermomechanical processing treatments were conducted to assess the impact of foil fabrication history on resultant tensile properties.

  20. Preparation of Al{sub 2}O{sub 3}/Mo nanocomposite powder via chemical route and spray drying

    SciTech Connect (OSTI)

    Lo, M.; Cheng, F.; Wei, W.J.

    1996-08-01

    A route to prepare nanometer-sized Mo particulates in Al{sub 2}O{sub 3} was attempted by a combination of solution reactions in molecular scale and forcing precipitation by a spray-drying technique. MoO{sub 3} was first dissolved in ammonia water and then added in the slurry with high purity, submicrometer Al{sub 2}O{sub 3} powder. Mixed suspension was spray-dried, and then the dried granules were reduced by hydrogen gas and further hot-pressing to a bulky composite at various temperatures. Dissolution of Mo oxide, adsorption reactions on alumina surface, and surface potential of alumina particles in homogeneous ammonia suspension were studied. Characterization of the granules, including compactability, flowing properties, surface morphology, grain growth of Mo and Al{sub 2}O{sub 3}, and mixing homogeneity, were examined. Homogeneity of the spray-dried granules was determined by the calculation of mixing index and the observation of the microstructure of sintered body. The existence of intergranular, intragranular, and nanosized Mo particulates within Al{sub 2}O{sub 3} grains was observed by transmission electron microscopy (TEM). All the evidences revealed that homogeneous composites with nanometer-sized Mo had been successfully prepared by this attempt with the proposed chemical route and following spray-drying process. {copyright}{ital 1996 Materials Research Society.}

  1. MOxST Magnesium Recycling Concept Definition Project Final Report

    Office of Scientific and Technical Information (OSTI)

    Report Efficient One-Step Electrolytic Recycling of Low-Grade and Post-Consumer Magnesium Scrap DOE Award Number DE-EE0003454 Project Period: August 1, 2010 - December 31, 2011 Principal Investigator: Adam C. Powell, IV (781) 898-3430 apowell@moxst.com Recipient Organization: Metal Oxygen Separation Technologies, Inc. 11 Michigan Drive, Natick, MA 01760-1334 Other Project Team Members: MOxST: Soobhankar Pati, Steve Derezinski, John Strauss Boston University: Uday Pal, Peter Zink, Xiaofei Guan

  2. Designing Solvation in Magnesium Electrolytes - Joint Center for Energy

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

    Storage Research June 18, 2014, Research Highlights Designing Solvation in Magnesium Electrolytes (Left) Electrochemical properties of Mg(BH4)2-glyme system which increase with chain length of glymes. (Right) The chemical shift of 25Mg NMR spectra shift negatively from DME through diglyme to triglyme, which is due to the interaction between Mg and oxygen atoms in glymes through electron donation from oxygen; but the chemical shift moves back for tetraglyme, which is explained as the high

  3. Low-Cost Magnesium Sheet Production using the Twin Roll Casting...

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

    More Documents & Publications Low-Cost Magnesium Sheet Production using the Twin Roll Casting Process and Asymmetric Rolling Materials Characterization Capabilities at the High ...

  4. Low-Cost Magnesium Sheet Production using the Twin Roll Casting...

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

    Magnesium Sheet Production using the Twin Roll Casting Process and Asymmetric Rolling Materials Characterization Capabilities at the High Temperature Materials Laboratory:...

  5. DOE - Office of Legacy Management -- Rogers Iron Works Co - MO...

    Office of Legacy Management (LM)

    of Ohio Analytical Data Sheet 9908; August 2, 1956 MO.10-2 - MemorandumChecklist, Williams to File; Subject: Rogers Iron; June 1, 1990 MO.10-3 - DOE Memorandum; Williams to the...

  6. DOE - Office of Legacy Management -- Latty Avenue Site - MO 04

    Office of Legacy Management (LM)

    MO.04-1 - DOE Letter; Keller to Jarboe; Subject: Agreement for Use of Property at 9200 Latty Avenue, Hazelwood, Missouri; November 22, 1983 MO.04-10 - DOE Report (ORNLRASA-857); ...

  7. Comparison of Two Preparation Methods on Catalytic Activity and Selectivity of Ru-Mo/HZSM5 for Methane Dehydroaromatization

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

    Petkovic, Lucia M.; Ginosar, Daniel M.

    2014-01-01

    Catalytic performance of Mo/HZSM5 and Ru-Mo/HZSM5 catalysts prepared by vaporization-deposition of molybdenum trioxide and impregnation with ammonium heptamolybdate was analyzed in terms of catalyst activity and selectivity, nitrogen physisorption analyses, temperature-programmed oxidation of carbonaceous residues, and temperature-programmed reduction. Vaporization-deposition rendered the catalyst more selective to ethylene and coke than the catalyst prepared by impregnation. This result was assigned to lower interaction of molybdenum carbide with the zeolite acidic sites.

  8. Accelerator Production Options for 99MO

    SciTech Connect (OSTI)

    Bertsche, Kirk; /SLAC

    2010-08-25

    Shortages of {sup 99}Mo, the most commonly used diagnostic medical isotope, have caused great concern and have prompted numerous suggestions for alternate production methods. A wide variety of accelerator-based approaches have been suggested. In this paper we survey and compare the various accelerator-based approaches.

  9. MOED_of_the_Italian_Republic.PDF | Department of Energy

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

    MOED_of_the_Italian_Republic.PDF MOED_of_the_Italian_Republic.PDF PDF icon MOED_of_the_Italian_Republic.PDF More Documents & Publications Scanned_Agreement.pdf International_Agreements_January_2001_December_2004.pdf Implementing Arrangement Between DOE and METI on R&D Cooperation on Clean Energy Technology - April 2015

  10. Intermetallic phase formation and breakdown of Mo diffusion barriers in Ni-Mo-Cu and Ni-Mo-Monel 400 diffusion triads

    SciTech Connect (OSTI)

    Shueh, Y.

    1988-01-01

    The purpose of this research was to study the kinetics of compound formation and the interdiffusion behavior of a sacrificial type diffusion barrier in a model system. Ni-Mo diffusion couples were annealed in an inert atmosphere at 950-1050{degree}C for 5-300 hours. Ni-Mo-Cu and Ni-Mo-Monel 400 diffusion triads with varied thicknesses of Mo layers sandwiched by Ni and C or Monel 400 disks were annealed under the same conditions. Parabolic growth of the intermetallic phase, {beta}, was observed at 1000{degree}C and 1050{degree}C in the semi-infinite Ni-Mo diffusion couple an din the Ni-Mo-Cu diffusion triad when a finite thickness of the Mo layer remained. The {beta} phase exhibited more or less planar morphology except in the case of some extremely rugged interfaces which were associated with grain boundaries adjacent to these interfaces. Dissociation and recession of the compound layer in Ni-Mo-Cu diffusion triads initiated when the Mo layer was nearly consumed. The product phases of the dissociation reaction are consistent with those predicted from the Ni-Mo-Cu ternary phase diagram. Numerical methods based on a finite difference technique, and an analytical solution based on diffusion controlled parabolic growth and quasi-steady-state approximation in the {beta} phase region were used to analyze the results.

  11. High-temperature behavior of dicesium molybdate Cs{sub 2}MoO{sub 4}: Implications for fast neutron reactors

    SciTech Connect (OSTI)

    Wallez, Gilles; Raison, Philippe E.; Smith, Anna L.; Clavier, Nicolas

    2014-07-01

    Dicesium molybdate (Cs{sub 2}MoO{sub 4})'s thermal expansion and crystal structure have been investigated herein by high temperature X ray diffraction in conjunction with Raman spectroscopy. This first crystal-chemical insight at high temperature is aimed at predicting the thermostructural and thermomechanical behavior of this oxide formed by the accumulation of Cs and Mo fission products at the periphery of nuclear fuel rods in sodium-cooled fast reactors. Within the temperature range of the fuel's rim, Cs{sub 2}MoO{sub 4} becomes hexagonal P6{sub 3}/mmc, with disordered MoO{sub 4} tetrahedra and 2D distribution of CsO bonds that makes thermal axial expansion both large (50??{sub l}?70 10{sup ?6} C{sup ?1}, 500800 C) and highly anisotropic (?{sub c}??{sub a}=6710{sup ?6} C{sup ?1}, hexagonal form). The difference with the fuel's expansion coefficient is of potential concern with respect to the cohesion of the Cs{sub 2}MoO{sub 4} surface film and the possible release of cesium radionuclides in accidental situations. - Graphical abstract: The weakness of the CsO bonds and the disordering of the MoO{sub 4} tetrahedra array in the high-temperature form are responsible for the huge thermal expansion of Cs{sub 2}MoO{sub 4} along the c-axis. - Highlights: Thermomechanical behavior of Cs{sub 2}MoO{sub 4} fission products compound is studied. High-temperature form of Cs{sub 2}MoO{sub 4} is characterized by XRD and Raman. Thermal expansion appears very high and anisotropic. Cohesion between Cs{sub 2}MoO{sub 4} and nuclear fuel seems questionable, and Cs release is expected.

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

    SciTech Connect (OSTI)

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

    2011-05-15

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

  13. Electrochemistry of Magnesium Electrolytes in Ionic Liquids for Secondary

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

    Batteries - Joint Center for Energy Storage Research 23, 2014, Research Highlights Electrochemistry of Magnesium Electrolytes in Ionic Liquids for Secondary Batteries Cyclic voltammograms of neat DEME-BF4 (light gray) and 100 mM Mg(BH4)2 in DEME-BF4 (black). CV scan limits are chosen to represent the electrochemical stability window. Inset: magnified view with voltage range restricted to -1.5 to 1.5 V vs. Mg/Mg2+. Scientific Achievement Ionic liquids (ILs) have wide electrochemical stability

  14. High Performance Batteries Based on Hybrid Magnesium and Lithium Chemistry

    SciTech Connect (OSTI)

    Cheng, Yingwen; Shao, Yuyan; Zhang, Jiguang; Sprenkle, Vincent L.; Liu, Jun; Li, Guosheng

    2014-01-01

    Magnesium and lithium (Mg/Li) hybrid batteries that combine Mg and Li electrochemistry, consisting of a Mg anode, a lithium-intercalation cathode and a dual-salt electrolyte with both Mg2+ and Li+ ions, were constructed and examined in this work. Our results show that hybrid (Mg/Li) batteries were able to combine the advantages of Li-ion and Mg batteries, and delivered outstanding rate performance (83% for capacities at 15C and 0.1C) and superior cyclic stability (~5% fade after 3000 cycles).

  15. Novel, electrolyte solutions comprising fully inorganic salts with high anodic stability for rechargeable magnesium batteries

    SciTech Connect (OSTI)

    Doe, RE; Han, R; Hwang, J; Gmitter, AJ; Shterenberg, I; Yoo, HD; Pour, N; Aurbach, D

    2014-01-01

    Herein the first inorganic magnesium salt solution capable of highly reversible magnesium electrodeposition is presented. Synthesized by acid-base reaction of MgCl2 and Lewis acidic compounds such as AlCl3, this salt class demonstrates upwards of 99% Coulombic efficiency, deposition overpotential of <200 mV, and anodic stability of 3.1 V.

  16. Method for generating a crystalline {sup 99}MoO{sub 3} product and the isolation {sup 99m}Tc compositions therefrom

    DOE Patents [OSTI]

    Bennett, R.G.; Christian, J.D.; Kirkham, R.J.; Tranter, T.J.

    1998-09-01

    An improved method is described for producing {sup 99m}Tc compositions. {sup 100}Mo metal is irradiated with photons in a particle (electron) accelerator to produce {sup 99}Mo metal which is dissolved in a solvent. A solvated {sup 99}Mo product is then dried to generate a supply of {sup 99}MoO{sub 3} crystals. The crystals are thereafter heated at a temperature which will sublimate the crystals and form a gaseous mixture containing vaporized {sup 99m}TcO{sub 3} and vaporized {sup 99m}TcO{sub 2} but will not cause the production of vaporized {sup 99}MoO{sub 3}. The mixture is then combined with an oxidizing gas to generate a gaseous stream containing vaporized {sup 99m}Tc{sub 2}O{sub 7}. Next, the gaseous stream is cooled to a temperature sufficient to convert the vaporized {sup 99m}Tc{sub 2}O{sub 7} into a condensed {sup 99m}Tc-containing product. The product has high purity levels resulting from the use of reduced temperature conditions and ultrafine crystalline {sup 99}MoO{sub 3} starting materials with segregated {sup 99m}Tc compositions therein which avoid the production of vaporized {sup 99}MoO{sub 3} contaminants. 1 fig.

  17. Method for generating a crystalline .sup.99 MoO.sub.3 product and the isolation .sup.99m Tc compositions therefrom

    DOE Patents [OSTI]

    Bennett, Ralph G.; Christian, Jerry D.; Kirkham, Robert J.; Tranter, Troy J.

    1998-01-01

    An improved method for producing .sup.99m Tc compositions. .sup.100 Mo metal is irradiated with photons in a particle (electron) accelerator to produce .sup.99 Mo metal which is dissolved in a solvent. A solvated .sup.99 Mo product is then dried to generate a supply of .sup.99 MoO.sub.3 crystals. The crystals are thereafter heated at a temperature which will sublimate the crystals and form a gaseous mixture containing vaporized .sup.99m TcO.sub.3 and vaporized .sup.99m TcO.sub.2 but will not cause the production of vaporized .sup.99 MoO.sub.3. The mixture is then combined with an oxidizing gas to generate a gaseous stream containing vaporized .sup.99m Tc.sub.2 O.sub.7. Next, the gaseous stream is cooled to a temperature sufficient to convert the vaporized .sup.99m Tc.sub.2 O.sub.7 into a condensed .sup.99m Tc-containing product. The product has high purity levels resulting from the use of reduced temperature conditions and ultrafine crystalline .sup.99 MoO.sub.3 starting materials with segregated .sup.99m Tc compositions therein which avoid the production of vaporized .sup.99 MoO.sub.3 contaminants.

  18. Mo-99 | National Nuclear Security Administration

    National Nuclear Security Administration (NNSA)

    Mo-99 DOE/NNSA Successfully Establishes Uranium Lease and Takeback Program to Support Critical Medical Isotope Production In January 2016, the U.S. Department of Energy's National Nuclear Security Administration (DOE/NNSA) successfully established the Uranium Lease and Take-Back (ULTB) program, as directed in the American Medical Isotopes Production Act of 2012, to support the commercial production of the medical... NNSA's work aids in fight against cancer World Cancer Day encourages citizens

  19. Chemical and mechanical consequences of environmental barrier coating exposure to calcium-magnesium-aluminosilicate.

    SciTech Connect (OSTI)

    Harder, B.; Ramirez-Rico, J.; Almer, J. D.; Kang, L.; Faber, K.

    2011-06-01

    The success of Si-based ceramics as high-temperature structural materials for gas turbine applications relies on the use of environmental barrier coatings (EBCs) with low silica activity, such as Ba{sub 1-x}Sr{sub x}Al{sub 2}Si{sub 2}O{sub 8} (BSAS), which protect the underlying components from oxidation and corrosion in combustion environments containing water vapor. One of the current challenges concerning EBC lifetime is the effect of sandy deposits of calcium-magnesium-aluminosilicate (CMAS) glass that melt during engine operation and react with the EBC, changing both its composition and stress state. In this work, we study the effect of CMAS exposure at 1300 C on the residual stress state and composition in BSAS-mullite-Si-SiC multilayers. Residual stresses were measured in BSAS multilayers exposed to CMAS for different times using high-energy X-ray diffraction. Their microstructure was studied using a combination of scanning electron microscopy and transmission electron microscopy techniques. Our results show that CMAS dissolves the BSAS topcoat preferentially through the grain boundaries, dislodging the grains and changing the residual stress state in the topcoat to a nonuniform and increasingly compressive stress state with increasing exposure time. The presence of CMAS accelerates the hexacelsian-to-celsian phase transformation kinetics in BSAS, which reacts with the glass by a solution-reprecipitation mechanism. Precipitates have crystallographic structures consistent with Ca-doped celsian and Ba-doped anorthite.

  20. Passivation dynamics in the anisotropic deposition and stripping of bulk magnesium electrodes during electrochemical cycling

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

    Wetzel, David J.; Malone, Marvin A.; Haasch, Richard T.; Meng, Yifei; Vieker, Henning; Hahn, Nathan; Golzhauser, Armin; Zuo, Jian-Min; Zavadil, Kevin R.; Gewirth, Andrew A.; et al

    2015-08-10

    Rechargeable magnesium (Mg) batteries show promise for use as a next generation technology for high-density energy storage, though little is known about the Mg anode solid electrolyte interphase and its implications for the performance and durability of a Mg-based battery. We explore in this report passivation effects engendered during the electrochemical cycling of a bulk Mg anode, characterizing their influences during metal deposition and dissolution in a simple, nonaqueous, Grignard electrolyte solution (ethylmagnesium bromide, EtMgBr, in tetrahydrofuran). Scanning electron microscopy images of Mg foil working electrodes after electrochemical polarization to dissolution potentials show the formation of corrosion pits. The pitmore » densities so evidenced are markedly potential-dependent. When the Mg working electrode is cycled both potentiostatically and galvanostatically in EtMgBr these pits, formed due to passive layer breakdown, act as the foci for subsequent electrochemical activity. Detailed microscopy, diffraction, and spectroscopic data show that further passivation and corrosion results in the anisotropic stripping of the Mg {0001} plane, leaving thin oxide-comprising passivated side wall structures that demark the {0001} fiber texture of the etched Mg grains. Upon long-term cycling, oxide side walls formed due to the pronounced crystallographic anisotropy of the anodic stripping processes, leading to complex overlay anisotropic, columnar structures, exceeding 50 μm in height. Finally, the passive responses mediating the growth of these structures appear to be an intrinsic feature of the electrochemical growth and dissolution of Mg using this electrolyte.« less

  1. NNSA Awards Mo-99 Cooperative Agreement to General Atomics | National

    National Nuclear Security Administration (NNSA)

    Nuclear Security Administration Library / Press Releases NNSA Awards Mo-99 Cooperative Agreement to General Atomics September 30, 2015 WASHINGTON, DC - Today, the Department of Energy's National Nuclear Security Administration (DOE/NNSA) announced that it will award a cooperative agreement to General Atomics (GA) to support its project for domestic production of molybdenum-99 (Mo-99) without highly enriched uranium (HEU). Mo-99 is the parent isotope of technetium-99m, which is the most

  2. Lithium metal oxide electrodes for lithium batteries

    DOE Patents [OSTI]

    Thackeray, Michael M.; Johnson, Christopher S.; Amine, Khalil; Kang, Sun-Ho

    2010-06-08

    An uncycled preconditioned electrode for a non-aqueous lithium electrochemical cell including a lithium metal oxide having the formula xLi.sub.2-yH.sub.yO.xM'O.sub.2.(1-x)Li.sub.1-zH.sub.zMO.sub.2 in which 0oxidation state selected from two or more of the first row transition metals or lighter metal elements in the periodic table, and M' is one or more ions with an average tetravalent oxidation state selected from the first and second row transition metal elements and Sn. The xLi.sub.2-yH.sub.y.xM'O.sub.2.(1-x)Li.sub.1-zH.sub.zMO.sub.2 material is prepared by preconditioning a precursor lithium metal oxide (i.e., xLi.sub.2M'O.sub.3.(1-x)LiMO.sub.2) with a proton-containing medium with a pH<7.0 containing an inorganic acid. Methods of preparing the electrodes are disclosed, as are electrochemical cells and batteries containing the electrodes.

  3. Development of High-Volume Warm Forming of Low-Cost Magnesium Sheet |

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

    Department of Energy 0 DOE Vehicle Technologies and Hydrogen Programs Annual Merit Review and Peer Evaluation Meeting, June 7-11, 2010 -- Washington D.C. PDF icon lm010_zaluzec_2010_o.pdf More Documents & Publications Development of High-Volume Warm Forming of Low-Cost Magnesium Sheet Magnesium Front End Research and Development AMD 604 Magnesium Front End Development (AMD 603/604/904) Department of Energy

    lm_19_quinn.pdf More Documents & Publications Development of

  4. Microsoft Word - chapter FeCrMo_ver2.doc

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

    Low-Alloy Ferritic Steels Fe-Cr-Mo Tempered December 8, 2005 ... strength level, material processing, and heat treatment 1. ... yield strength, hydrogen gas pressure, and temperature. ...

  5. Demonstration of LED Street Lighting in Kansas City, MO Kinzey...

    Office of Scientific and Technical Information (OSTI)

    Street Lighting in Kansas City, MO Kinzey, Bruce R.; Royer, Michael P.; Hadjian, M.; Kauffman, Rick LED streetlighting; field illuminance measurement LED streetlighting; field...

  6. Predicting sigma formation in mo-bearing stainless steels. (Conference...

    Office of Scientific and Technical Information (OSTI)

    Title: Predicting sigma formation in mo-bearing stainless steels. No abstract prepared. Authors: Perricone, Matthew ; Dupont, John Neuman ; Anderson, T. D. 1 ; Robino, Charles ...

  7. Synthesis and optical study of barium magnesium aluminate blue phosphors

    SciTech Connect (OSTI)

    Jeet, Suninder Pandey, O. P.; Sharma, Manoj

    2015-05-15

    Europium doped barium magnesium aluminate (BaMgAl{sub 10}O{sub 17}:Eu{sup 2+}) phosphor was prepared via solution combustion method at 550C using urea as a fuel. Morphological and optical properties of the prepared sample was studied by X-ray diffraction (XRD), Transmission electron microscopy (TEM) and Photoluminescence spectroscopy (PL). XRD result showed the formation of pure phase BaMgAl{sub 10}O{sub 17}(JCPDS 26-0163) along with an additional phase BaAl{sub 2}O{sub 4}(JCPDS 01-082-1350). TEM image indicated the formation of faceted particles with average particle size 40?nm. From PL spectra, a broad emission band obtained at about 450?nm attributes to 4f{sup 6} 5d ? 4f{sup 7} transition of Eu{sup 2+} which lies in the blue region of the visible spectrum.

  8. Structure and electronic properties of Cu nanoclusters supported on Mo2C(001) and MoC(001) surfaces

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

    Posada-Pérez, Sergio; Viñes, Francesc; Rodríguez, José A.; Illas, Francesc

    2015-09-15

    In this study, the atomic structure and electronic properties of Cun nanoclusters (n = 4, 6, 7, and 10) supported on cubic nonpolar δ-MoC(001) and orthorhombic C- or Mo-terminated polar β-Mo2C(001) surfaces have been investigated by means of periodic density functional theory based calculations. The electronic properties have been analyzed by means of the density of states, Bader charges, and electron localization function plots. The Cu nanoparticles supported on β-Mo2C(001), either Mo- or C-terminated, tend to present a two-dimensional structure whereas a three-dimensional geometry is preferred when supported on δ-MoC(001), indicating that the Mo:C ratio and the surface polarity playmore » a key role determining the structure of supported clusters. Nevertheless, calculations also reveal important differences between the C- and Mo-terminated β-Mo2C(001) supports to the point that supported Cu particles exhibit different charge states, which opens a way to control the reactivity of these potential catalysts.« less

  9. Structure of an n-butane monolayer adsorbed on magnesium oxide (100)

    SciTech Connect (OSTI)

    Arnold, T.; Chanaa, S.; Cook, R. E.; Clarke, S. M.; Larese, J. Z.

    2006-08-15

    Neutron diffraction has been used to characterize the structure of the solid phase of the completed monolayer of n butane on the MgO(100) surface at low temperature. The monolayer is found to adopt a commensurate (7{radical}(2)x{radical}(2)R45 deg. ) structure with lattice constants a=29.47 A ring and b=4.21 A ring , P{sub 2gg} symmetry and four molecules in the unit cell. Excellent agreement with the experimental diffraction pattern is realized, using a Lorenztian profile to describe the line shape.

  10. Sonochemical synthesis and photocatalytic property of zinc oxide nanoparticles doped with magnesium(II)

    SciTech Connect (OSTI)

    Lu, Xianyong; Liu, Zhaoyue; Zhu, Ying; Jiang, Lei; Beijing National Laboratory for Molecular Sciences, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190

    2011-10-15

    Highlights: {yields} Mg-doped ZnO nanoparticles were synthesized by sonochemical strategy. {yields} Mg-doped ZnO nanoparticles present good photocatalytic properties. {yields} The change of band gap contributes to their high efficiency in photocatalyst. -- Abstract: Mg-doped ZnO nanoparticles were successfully synthesized by sonochemical method. The products were characterized by scan electron microscopy (SEM) and X-ray powder diffraction (XRD). SEM images revealed that ZnO doped with Mg(II) nanoparticles and ZnO nanoparticles synthesized by the same strategy all had spherical topography. XRD patterns showed that the doped nanoparticles had the same crystals structures as the pure ZnO nanoparticles. The Mg-doped ZnO nanoparticles had larger lattice volume than the un-doped nanoparticles. X-ray photoelectron spectroscopy (XPS) not only demonstrated the moral ratio of Mg and Zn element on the surface of nanoparticles, but their valence in nanoparticles as well. The Mg-doped ZnO nanoparticles presented good properties in photocatalyst compared with pure ZnO nanoparticles.

  11. Time-Resolved Femtosecond Laser-Induced Desorption from Magnesium Oxide and Lithium Fluoride Single Crystals

    SciTech Connect (OSTI)

    Beck, Kenneth M. ); Joly, Alan G. ); Hess, Wayne P. )

    1999-12-01

    We have used the pump-probe technique to measure the photostimulated positive ion yield, as a function of time-delay between two sub-threshold femtosecond laser pulses. We find the ion yield, from 265 nm femtosecond irradiated MgO and LiF, depends critically on the laser pulse delay two-pulse experiments. For example, single pulse excitation of MgO produces a variety of ions including Mg+, MgO+, and H+. If the femtosecond laser pulse is split into two sub-threshold beams and then re-combined with a variable time delay, the Mg+ desorption yield displays three distinct lifetimes and persists for laser delays of over 100 picoseconds. A pulse delay of only 500 femtoseconds nearly eliminates ion desorption except for Mg+. In contrast, for LiF the majority of Li+ yields decays rapidly, largely within the femtosecond pulse duration. However, a weak but measurable decay component of approximately 2 picoseconds is indicated. We hypothesize the nonresonant two-photon excitation contributes to the ultrafast desorption mechanism through the creation of electron/hole pairs and allows direct observation of the surface electron/hole pair trapping dynamics and measurement of the surface free carrier lifetime.

  12. Solid Oxide Membrane (SOM) Electrolysis of Magnesium: Scale-Up Research and

    Office of Environmental Management (EM)

    Solar Technologies for Native America November 20, 2003 Sandra Begay-Campbell Principal Member of the Technical Staff Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under contract DE-AC04-94AL85000. Helping our nation secure a peaceful and free world through technology. Where is Sandia National Labs? * New Mexico * California * Nevada * Hawaii * Texas We address the surety (safety, security &

  13. Vehicle Technologies Office Merit Review 2015: Magnesium-Intensive Front End Sub-Structure Development

    Broader source: Energy.gov [DOE]

    Presentation given by USAMP at 2015 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about magnesium-intensive front end sub...

  14. Electrolytic photodissociation of chemical compounds by iron oxide photochemical diodes

    DOE Patents [OSTI]

    Somorjai, Gabor A.; Leygraf, Christofer H.

    1985-01-01

    Chemical compounds can be dissociated by contacting the same with a p/n type semi-conductor photochemical diode having visible light as its sole source of energy. The photochemical diode consists of low cost, readily available materials, specifically polycrystalline iron oxide doped with silicon in the case of the n-type semi-conductor electrode, and polycrystalline iron oxide doped with magnesium in the case of the p-type electrode. So long as the light source has an energy greater than 2.2 electron volts, no added energy source is needed to achieve dissociation.

  15. Novel Nonflammable Electrolytes for Secondary Magnesium Batteries and High Voltage Electrolytes for Electrochemcial Supercapacitors

    SciTech Connect (OSTI)

    Dr. Brian Dixon

    2008-12-30

    Magnesium has been used successfully in primary batteries, but its use in rechargeable cells has been stymied by the lack of suitable non-aqueous electrolyte that can conduct Mg+2 species, combined with poor stripping and plating properties. The development of a suitable cathode material for rechargeable magnesium batteries has also been a roadblock, but a nonflammable electrolyte is key. Likewise, the development of safe high voltage electrochemical supercapaitors has been stymied by the use of flammable solvents in the liquid electrolyte; to wit, acetonitrile. The purpose of the research conducted in this effort was to identify useful compositions of magnesium salts and polyphosphate solvents that would enable magnesium ions to be cycled within a secondary battery design. The polyphosphate solvents would provide the solvent for the magnesium salts while preventing the electrolyte from being flammable. This would enable these novel electrolytes to be considered as an alternative to THF-based electrolytes. In addition, we explored several of these solvents together with lithium slats for use as high voltage electrolytes for carbon-based electrochemical supercapacitors. The research was successful in that: 1) Magnesium imide dissolved in a phosphate ester solvent that contains a halogented phosphate ester appears to be the preferred electrolyte for a rechargeable Mg cell. 2) A combination of B-doped CNTs and vanadium phosphate appear to be the cathode of choice for a rechargeable Mg cell by virtue of higher voltage and better reversibility. 3) Magnesium alloys appear to perform better than pure magnesium when used in combination with the novel polyphosphate electrolytes. Also, this effort has established that Phoenix Innovation??s family of phosphonate/phosphate electrolytes together with specific lithium slats can be used in supercapacitor systems at voltages of greater than 10V.

  16. Friction Stir and Ultrasonic Solid State Joining of Magnesium to Steel |

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

    Department of Energy 12 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting PDF icon lm030_hovanski_2012_o.pdf More Documents & Publications FSW & USW Solid State Joining of Magnesium to Steel Formability of Direct Cast Mg Sheet and Friction Stir and Ultrasonic Joining of Magnesium to Steel FY 2009 Progress Report for Lightweighting Materials - 9. Joining

  17. Heat treated 9 Cr-1 Mo steel material for high temperature application

    DOE Patents [OSTI]

    Jablonski, Paul D.; Alman, David; Dogan, Omer; Holcomb, Gordon; Cowen, Christopher

    2012-08-21

    The invention relates to a composition and heat treatment for a high-temperature, titanium alloyed, 9 Cr-1 Mo steel exhibiting improved creep strength and oxidation resistance at service temperatures up to 650.degree. C. The novel combination of composition and heat treatment produces a heat treated material containing both large primary titanium carbides and small secondary titanium carbides. The primary titanium carbides contribute to creep strength while the secondary titanium carbides act to maintain a higher level of chromium in the finished steel for increased oxidation resistance, and strengthen the steel by impeding the movement of dislocations through the crystal structure. The heat treated material provides improved performance at comparable cost to commonly used high-temperature steels such as ASTM P91 and ASTM P92, and requires heat treatment consisting solely of austenization, rapid cooling, tempering, and final cooling, avoiding the need for any hot-working in the austenite temperature range.

  18. Neutrino scattering off the stable even-even Mo isotopes

    SciTech Connect (OSTI)

    Balasi, K. G.; Kosmas, T. S.; Divari, P. C. [Theoretical Physics Section, University of Ioannina, GR 45110 Ioannina (Greece)

    2009-11-09

    Inelastic neutrino-nucleus reaction cross sections are studied focusing on the neutral current processes. Particularly, we investigate the angular and initial neutrino-energy dependence of the differential and integrated cross sections for low and intermediate energies of the incoming neutrino. The nuclear wave functions for the initial and final nuclear states are constructed in the context of the quasi-particle random phase approximation (QRPA) tested on the reproducibility of the low-lying energy spectrum. The results presented here refer to the isotopes Mo{sup 92}, Mo{sup 94}, Mo{sup 96}, Mo{sup 98} and Mo{sup 100}. These isotopes could play a significant role in supernova neutrino detection in addition to their use in double-beta and neutrinoless double-beta decay experiments (e.g. MOON, NEMO III)

  19. Fragile structural transition in Mo3Sb7

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

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

    2015-01-01

    Mo3Sb7 single crystals lightly doped with Cr, Ru, or Te are studied in order to explore the interplay between superconductivity, magnetism, and the cubic-tetragonal structural transition. The structural transition at 53 K is extremely sensitive to Ru or Te substitution which introduces additional electrons, but robust against Cr substitution. We observed no sign of a structural transition in superconducting Mo2.91Ru0.09Sb7 and Mo3Sb6.975Te0.025. In contrast, 3 at.% Cr doping only slightly suppresses the structural transition to 48 K while leaving no trace of superconductivity above 1.8 K. Analysis of magnetic properties suggests that the interdimer interaction in Mo3Sb7 is near amore » critical value and essential for the structural transition. Futhermore, all dopants suppress the superconductivity of Mo3Sb7. The tetragonal structure is not necessary for superconductivity.« less

  20. Rotationally Commensurate Growth of MoS[subscript 2] on Epitaxial...

    Office of Scientific and Technical Information (OSTI)

    Rotationally Commensurate Growth of MoSsubscript 2 on Epitaxial Graphene Citation Details In-Document Search Title: Rotationally Commensurate Growth of MoSsubscript 2 on ...

  1. Mo-O bond doping and related-defect assisted enhancement of photoluminescence in monolayer MoS{sub 2}

    SciTech Connect (OSTI)

    Wei, Xiaoxu; Yu, Zhihao; Cheng, Ying; Yu, Linwei; Wang, Junzhuan Wang, Xinran; Shi, Yi; Hu, Fengrui; Wang, Xiaoyong; Xiao, Min

    2014-12-15

    In this work, we report a strong photoluminescence (PL) enhancement of monolayer MoS{sub 2} under different treatments. We find that by simple ambient annealing treatment in the range of 200?C to 400?C, the PL emission can be greatly enhanced by a factor up to two orders of magnitude. This enhancement can be attributed to two factors: first, the formation of Mo-O bonds during ambient exposure introduces an effective p-doping in the MoS{sub 2} layer; second, localized electrons formed around Mo-O bonds related defective sites where the electrons can be effectively localized with higher binding energy resulting in efficient radiative excitons recombination. Time resolved PL decay measurement showed that longer lifetime of the treated sample consistent with the higher quantum efficiency in PL. These results give more insights to understand the luminescence properties of the MoS{sub 2}.

  2. Comparative study of water reactivity with Mo{sub 2}O{sub y}{sup ?} and W{sub 2}O{sub y}{sup ?} clusters: A combined experimental and theoretical investigation

    SciTech Connect (OSTI)

    Ray, Manisha; Waller, Sarah E.; Saha, Arjun; Raghavachari, Krishnan; Jarrold, Caroline Chick

    2014-09-14

    A computational investigation of the Mo{sub 2}O{sub y}{sup ?} + H{sub 2}O (y = 4, 5) reactions as well as a photoelectron spectroscopic probe of the deuterated Mo{sub 2}O{sub 6}D{sub 2}{sup ?} product have been carried out to understand a puzzling question from a previous study: Why is the rate constant determined for the Mo{sub 2}O{sub 5}{sup ?} + H{sub 2}O/D{sub 2}O reaction, the terminal reaction in the sequential oxidation of Mo{sub 2}O{sub y}{sup ?} by water, higher than the W{sub 2}O{sub 5}{sup ?} + H{sub 2}O/D{sub 2}O reaction? This disparity was intriguing because W{sub 3}O{sub y}{sup ?} clusters were found to be more reactive toward water than their Mo{sub 3}O{sub y}{sup ?} analogs. A comparison of molecular structures reveals that the lowest energy structure of Mo{sub 2}O{sub 5}{sup ?} provides a less hindered water addition site than the W{sub 2}O{sub 5}{sup ?} ground state structure. Several modes of water addition to the most stable molecular and electronic structures of Mo{sub 2}O{sub 4}{sup ?} and Mo{sub 2}O{sub 5}{sup ?} were explored computationally. The various modes are discussed and compared with previous computational studies on W{sub 2}O{sub y}{sup ?} + H{sub 2}O reactions. Calculated free energy reaction profiles show lower barriers for the initial Mo{sub 2}O{sub y}{sup ?} + H{sub 2}O addition, consistent with the higher observed rate constant. The terminal Mo{sub 2}O{sub y}{sup ?} sequential oxidation product predicted computationally was verified by the anion photoelectron spectrum of Mo{sub 2}O{sub 6}D{sub 2}{sup ?}. Based on the computational results, this anion is a trapped dihydroxide intermediate in the Mo{sub 2}O{sub 5}{sup ?} + H{sub 2}O/D{sub 2}O ? Mo{sub 2}O{sub 6}{sup ?} + H{sub 2}/D{sub 2} reaction.

  3. Ab Initio Thermodynamic Model for Magnesium Carbonates and Hydrates

    SciTech Connect (OSTI)

    Chaka, Anne M.; Felmy, Andrew R.

    2014-03-28

    An ab initio thermodynamic framework for predicting properties of hydrated magnesium carbonate minerals has been developed using density-functional theory linked to macroscopic thermodynamics through the experimental chemical potentials for MgO, water, and CO2. Including semiempirical dispersion via the Grimme method and small corrections to the generalized gradient approximation of Perdew, Burke, and Ernzerhof for the heat of formation yields a model with quantitative agreement for the benchmark minerals brucite, magnesite, nesquehonite, and hydromagnesite. The model shows how small differences in experimental conditions determine whether nesquehonite, hydromagnesite, or magnesite is the result of laboratory synthesis from carbonation of brucite, and what transformations are expected to occur on geological time scales. Because of the reliance on parameter-free first principles methods, the model is reliably extensible to experimental conditions not readily accessible to experiment and to any mineral composition for which the structure is known or can be hypothesized, including structures containing defects, substitutions, or transitional structures during solid state transformations induced by temperature changes or processes such as water, CO2, or O2 diffusion. Demonstrated applications of the ab initio thermodynamic framework include an independent means to evaluate differences in thermodynamic data for lansfordite, predicting the properties of Mg analogs of Ca-based hydrated carbonates monohydrocalcite and ikaite which have not been observed in nature, and an estimation of the thermodynamics of barringtonite from the stoichiometry and a single experimental observation.

  4. A novel three dimensional semimetallic MoS{sub 2}

    SciTech Connect (OSTI)

    Tang, Zhen-Kun; Zhang, Hui; Liu, Li-Min; Liu, Hao; Lau, Woon-Ming

    2014-05-28

    Transition metal dichalcogenides (TMDs) have many potential applications, while the performances of TMDs are generally limited by the less surface active sites and the poor electron transport efficiency. Here, a novel three-dimensional (3D) structure of molybdenum disulfide (MoS{sub 2}) with larger surface area was proposed based on first-principle calculations. 3D layered MoS{sub 2} structure contains the basal surface and joint zone between the different nanoribbons, which is thermodynamically stable at room temperature, as confirmed by first principles molecular dynamics calculations. Compared the two-dimensional layered structures, the 3D MoS{sub 2} not only owns the large surface areas but also can effectively avoid the aggregation. Interestingly, although the basal surface remains the property of the intrinsic semiconductor as the bulk MoS{sub 2}, the joint zone of 3D MoS{sub 2} exhibits semimetallic, which is derived from degenerate 3d orbitals of the Mo atoms. The high stability, large surface area, and high conductivity make 3D MoS{sub 2} have great potentials as high performance catalyst.

  5. Polystyrene/MoS{sub 2}@oleylamine nanocomposites

    SciTech Connect (OSTI)

    Altavilla, Claudia; Ciambelli, Paolo; Fedi, Filippo; Sorrentino, Andrea; Iannace, Salvatore

    2014-05-15

    The effects of adding different concentrations of MoS{sub 2}@oleylamine nano particles on the thermal and mechanical properties of polystyrene (PS) nanocomposites have been investigated. X-ray diffraction and optical microscopy were used to characterize the morphology of the resulting nanocomposites. The thermal stability of the nanocomposites has been characterized by thermogravimetric analysis. It has been found that the MoS{sub 2}@oleylamine nanoparticles have a good compatibility with the PS matrix forming homogeneous dispersion even at high concentrations. The PS/MoS{sub 2}@oleylamine nanocomposites showed enhanced thermal stability in comparison with neat polystyrene.

  6. Slow Mo Guys and Cold Spray | GE Global Research

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

    Slow Mo Guys and Cold Spray Click to email this to a friend (Opens in new window) Share on Facebook (Opens in new window) Click to share (Opens in new window) Click to share on LinkedIn (Opens in new window) Click to share on Tumblr (Opens in new window) Slow Mo Guys and Cold Spray ) The Slow Mo Guys came to GE Global Research in Niskayuna to film our researchers demonstrate a process called "cold spray", in which metal powders are sprayed at high velocities to build a part or add

  7. Diffusion Barrier Selection from Refractory Metals (Zr, Mo and Nb) via Interdiffusion Investigation for U-Mo RERTR Fuel Alloy

    SciTech Connect (OSTI)

    K. Huang; C. Kammerer; D. D. Keiser, Jr.; Y. H. Sohn

    2014-04-01

    U-Mo alloys are being developed as low enrichment monolithic fuel under the Reduced Enrichment for Research and Test Reactor (RERTR) Program. Diffusional interactions between the U-Mo fuel alloy and Al-alloy cladding within the monolithic fuel plate construct necessitate incorporation of a barrier layer. Fundamentally, a diffusion barrier candidate must have good thermal conductivity, high melting point, minimal metallurgical interaction, and good irradiation performance. Refractory metals, Zr, Mo, and Nb are considered based on their physical properties, and the diffusion behavior must be carefully examined first with U-Mo fuel alloy. Solid-to-solid U-10wt.%Mo vs. Mo, Zr, or Nb diffusion couples were assembled and annealed at 600, 700, 800, 900 and 1000 degrees C for various times. The interdiffusion microstructures and chemical composition were examined via scanning electron microscopy and electron probe microanalysis, respectively. For all three systems, the growth rate of interdiffusion zone were calculated at 1000, 900 and 800 degrees C under the assumption of parabolic growth, and calculated for lower temperature of 700, 600 and 500 degrees C according to Arrhenius relationship. The growth rate was determined to be about 10 3 times slower for Zr, 10 5 times slower for Mo and 10 6 times slower for Nb, than the growth rates reported for the interaction between the U-Mo fuel alloy and pure Al or Al-Si cladding alloys. Zr, however was selected as the barrier metal due to a concern for thermo- mechanical behavior of UMo/Nb interface observed from diffusion couples, and for ductile-to-brittle transition of Mo near room temperature.

  8. Catalysts for the selective oxidation of hydrogen sulfide to sulfur

    DOE Patents [OSTI]

    Srinivas, Girish; Bai, Chuansheng

    2000-08-08

    This invention provides catalysts for the oxidation of hydrogen sulfide. In particular, the invention provides catalysts for the partial oxidation of hydrogen sulfide to elemental sulfur and water. The catalytically active component of the catalyst comprises a mixture of metal oxides containing titanium oxide and one or more metal oxides which can be selected from the group of metal oxides or mixtures of metal oxides of transition metals or lanthanide metals. Preferred metal oxides for combination with TiO.sub.2 in the catalysts of this invention include oxides of V, Cr, Mn, Fe, Co, Ni, Cu, Nb, Mo, Tc, Ru, Rh, Hf, Ta, W, Au, La, Ce, Pr, Nd, Pm, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, and Lu. Catalysts which comprise a homogeneous mixture of titanium oxide and niobium (Nb) oxide are also provided. A preferred method for preparing the precursor homogenous mixture of metal hydroxides is by coprecipitation of titanium hydroxide with one or more other selected metal hydroxides. Catalysts of this invention have improved activity and/or selectivity for elemental sulfur production. Further improvements of activity and/or selectivity can be obtained by introducing relatively low amounts (up to about 5 mol %)of a promoter metal oxide (preferably of metals other than titanium and that of the selected second metal oxide) into the homogeneous metal/titanium oxide catalysts of this invention.

  9. Unusual behavior in magnesium-copper cluster matter produced by helium droplet mediated deposition

    SciTech Connect (OSTI)

    Emery, S. B. Little, B. K.; Xin, Y.; Ridge, C. J.; Lindsay, C. M.; Buszek, R. J.; Boatz, J. A.; Boyle, J. M.

    2015-02-28

    We demonstrate the ability to produce core-shell nanoclusters of materials that typically undergo intermetallic reactions using helium droplet mediated deposition. Composite structures of magnesium and copper were produced by sequential condensation of metal vapors inside the 0.4 K helium droplet baths and then gently deposited onto a substrate for analysis. Upon deposition, the individual clusters, with diameters ∼5 nm, form a cluster material which was subsequently characterized using scanning and transmission electron microscopies. Results of this analysis reveal the following about the deposited cluster material: it is in the un-alloyed chemical state, it maintains a stable core-shell 5 nm structure at sub-monolayer quantities, and it aggregates into unreacted structures of ∼75 nm during further deposition. Surprisingly, high angle annular dark field scanning transmission electron microscopy images revealed that the copper appears to displace the magnesium at the core of the composite cluster despite magnesium being the initially condensed species within the droplet. This phenomenon was studied further using preliminary density functional theory which revealed that copper atoms, when added sequentially to magnesium clusters, penetrate into the magnesium cores.

  10. MAGNESIUM MONO POTASSIUM PHOSPHATE GROUT FOR P-REACTOR VESSEL IN-SITU DECOMISSIONING

    SciTech Connect (OSTI)

    Langton, C.; Stefanko, D.

    2011-01-05

    The objective of this report is to document laboratory testing of magnesium mono potassium phosphate grouts for P-Reactor vessel in-situ decommissioning. Magnesium mono potassium phosphate cement-based grout was identified as candidate material for filling (physically stabilizing) the 105-P Reactor vessel (RV) because it is less alkaline than portland cement-based grout (pH of about 12.4). A less alkaline material ({<=} 10.5) was desired to address a potential materials compatibility issue caused by corrosion of aluminum metal in highly alkaline environments such as that encountered in portland cement grouts. Information concerning access points into the P-Reactor vessel and amount of aluminum metal in the vessel is provided elsewhere. Fresh and cured properties were measured for: (1) commercially blended magnesium mono potassium phosphate packaged grouts, (2) commercially available binders blended with inert fillers at SRNL, (3) grouts prepared from technical grade MgO and KH{sub 2}PO{sub 4} and inert fillers (quartz sands, Class F fly ash), and (4) Ceramicrete{reg_sign} magnesium mono potassium phosphate-based grouts prepared at Argonne National Laboratory. Boric acid was evaluated as a set retarder in the magnesium mono potassium phosphate mixes.

  11. M.O. Wascko, LSU NuInt05...

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

    O. Wascko, LSU NuInt05 26 September, 2005 MiniBooNE CC + CCQE Ratio M.O. Wascko, LSU J.R. Monroe, Columbia CC interactions Quasi-Elastic (CCQE) Inclusive Single +...

  12. Structural Insights into FeMo Cofactor Biosynthesis

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

    a catalytic component and a specific reductase, which, in the standard system, are referred to as the MoFe protein and the Fe protein. At the active site of the...

  13. CO2ReMoVe | Open Energy Information

    Open Energy Info (EERE)

    of industrial, research and service organizations with experience in CO2 geological storage. References: CO2ReMoVe1 This article is a stub. You can help OpenEI by expanding...

  14. Co-Mo Electric Cooperative- Energy Efficiency Rebate Program

    Broader source: Energy.gov [DOE]

    Co-Mo Electric Cooperative provides rebates to its residential and commercial members who install air source, dual fuel, and/or geothermal heat pumps, and certain energy efficient appliances. Heat...

  15. Support effects on hydrotreating activity of NiMo catalysts

    SciTech Connect (OSTI)

    Dominguez-Crespo, M.A. Arce-Estrada, E.M.; Torres-Huerta, A.M.

    2007-10-15

    The effect of the gamma alumina particle size on the catalytic activity of NiMoS{sub x} catalysts prepared by precipitation method of aluminum acetate at pH = 10 was studied. The structural characterization of the supports was measured by using XRD, pyridine FTIR-TPD and nitrogen physisorption. NiMo catalysts were characterized during the preparation steps (annealing and sulfidation) using transmission electron microscopy (TEM). Hydrogen TPR studies of the NiMo catalysts were also carried out in order to correlate their hydrogenating properties and their catalytic functionality. Catalytic tests were carried out in a pilot plant at 613, 633 and 653 K temperatures. The results showed that the rate constants of hydrodesulfurization (HDS), hydrodenitrogenation (HDN) and hydrodearomatizing (HDA) at 613-653 K decreased in the following order: A > B > C corresponding to the increase of NiMoS particle size associated to these catalysts.

  16. Lightning arrestor connector lead magnesium niobate qualification pellet test procedures.

    SciTech Connect (OSTI)

    Tuohig, W.; Mahoney, Patrick A.; Tuttle, Bruce Andrew; Wheeler, Jill Susanne

    2009-02-01

    Enhanced knowledge preservation for DOE DP technical component activities has recently received much attention. As part of this recent knowledge preservation effort, improved documentation of the sample preparation and electrical testing procedures for lead magnesium niobate--lead titanate (PMN/PT) qualification pellets was completed. The qualification pellets are fabricated from the same parent powders used to produce PMN/PT lightning arrestor connector (LAC) granules at HWF&T. In our report, the procedures for fired pellet surface preparation, electrode deposition, electrical testing and data recording are described. The dielectric measurements described in our report are an information only test. Technical reasons for selecting the electrode material, electrode size and geometry are presented. The electrical testing is based on measuring the dielectric constant and dissipation factor of the pellet during cooling from 280 C to 220 C. The most important data are the temperature for which the peak dielectric constant occurs (Curie Point temperature) and the peak dielectric constant magnitude. We determined that the peak dielectric constant for our procedure would be that measured at 1 kHz at the Curie Point. Both the peak dielectric constant and the Curie point parameters provide semi-quantitative information concerning the chemical and microstructural homogeneity of the parent material used for the production of PMN/PT granules for LACs. Finally, we have proposed flag limits for the dielectric data for the pellets. Specifically, if the temperature of the peak dielectric constant falls outside the range of 250 C {+-} 30 C we propose that a flag limit be imposed that will initiate communication between production agency and design agency personnel. If the peak dielectric constant measured falls outside the range 25,000 {+-} 10,000 we also propose that a flag limit be imposed.

  17. MAGNESIUM ISOTOPE RATIOS IN {omega} CENTAURI RED GIANTS

    SciTech Connect (OSTI)

    Da Costa, G. S.; Norris, John E.; Yong, David

    2013-05-20

    We have used the high-resolution observations obtained at the Anglo-Australian Telescope with Ultra-High Resolution Facility (R {approx} 100,000) and at Gemini-S with b-HROS (R {approx} 150,000) to determine magnesium isotope ratios for seven {omega} Cen red giants that cover a range in iron abundance from [Fe/H] = -1.78 to -0.78 dex, and for two red giants in M4 (NGC 6121). The {omega} Cen stars sample both the ''primordial'' (i.e., O-rich, Na- and Al-poor) and the ''extreme'' (O-depleted, Na- and Al-rich) populations in the cluster. The primordial population stars in both {omega} Cen and M4 show ({sup 25}Mg, {sup 26}Mg)/{sup 24}Mg isotopic ratios that are consistent with those found for the primordial population in other globular clusters with similar [Fe/H] values. The isotopic ratios for the {omega} Cen extreme stars are also consistent with those for extreme population stars in other clusters. The results for the extreme population stars studied indicate that the {sup 26}Mg/{sup 24}Mg ratio is highest at intermediate metallicities ([Fe/H] < -1.4 dex), and for the highest [Al/Fe] values. Further, the relative abundance of {sup 26}Mg in the extreme population stars is notably higher than that of {sup 25}Mg, in contrast to model predictions. The {sup 25}Mg/{sup 24}Mg isotopic ratio in fact does not show any obvious dependence on either [Fe/H] or [Al/Fe] nor, intriguingly, any obvious difference between the primordial and extreme population stars.

  18. Structural studies of magnesium nitride fluorides by powder neutron diffraction

    SciTech Connect (OSTI)

    Brogan, Michael A.; Hughes, Robert W.; Smith, Ronald I.; Gregory, Duncan H.

    2012-01-15

    Samples of ternary nitride fluorides, Mg{sub 3}NF{sub 3} and Mg{sub 2}NF have been prepared by solid state reaction of Mg{sub 3}N{sub 2} and MgF{sub 2} at 1323-1423 K and investigated by powder X-ray and powder neutron diffraction techniques. Mg{sub 3}NF{sub 3} is cubic (space group: Pm3m) and has a structure related to rock-salt MgO, but with one cation site vacant. Mg{sub 2}NF is tetragonal (space group: I4{sub 1}/amd) and has an anti-LiFeO{sub 2} related structure. Both compounds are essentially ionic and form structures in which nitride and fluoride anions are crystallographically ordered. The nitride fluorides show temperature independent paramagnetic behaviour between 5 and 300 K. - Graphical abstract: Definitive structures of the ternary magnesium nitride fluorides Mg{sub 3}NF{sub 3} and the lower temperature polymorph of Mg{sub 2}NF have been determined from powder neutron diffraction data. The nitride halides are essentially ionic and exhibit weak temperature independent paramagnetic behaviour. Highlights: Black-Right-Pointing-Pointer Definitive structures of Mg{sub 3}NF{sub 3} and Mg{sub 2}NF were determined by neutron diffraction. Black-Right-Pointing-Pointer Nitride and fluoride anions are crystallographically ordered in both structures. Black-Right-Pointing-Pointer Both compounds exhibit weak, temperature independent paramagnetic behaviour. Black-Right-Pointing-Pointer The compounds are essentially ionic with ionicity increasing with F{sup -} content.

  19. Microstructures in rapidly solidified Ni-Mo alloys

    SciTech Connect (OSTI)

    Jayaraman, N.; Tewari, S.N.; Hemker, K.J.; Glasgow, T.K.

    1985-01-01

    Ni-Mo alloys of compositions ranging from pure Ni to Ni-40 at % Mo were rapidly solidified by chill block melt spinning in vacuum and were examined by optical metallography, x-ray diffraction and transmission electron microscopy. Rapid solidification resulted in an extension of molybdenum solubility in nickel from 28 to 37.5 at %. A number of different phases and microstructures were seen at different depths (solidification conditions) from the quenched surface of the melt spun ribbons.

  20. Coordination Chemistry in magnesium battery electrolytes: how ligands affect their performance

    SciTech Connect (OSTI)

    Shao, Yuyan; Liu, Tianbiao L.; Li, Guosheng; Gu, Meng; Nie, Zimin; Engelhard, Mark H.; Xiao, Jie; Lu, Dongping; Wang, Chong M.; Zhang, Jiguang; Liu, Jun

    2013-11-04

    Magnesium battery is potentially a safe, cost-effective, and high energy density technology for large scale energy storage. However, the development of magnesium battery has been hindered by the limited performance and the lack of fundamental understandings of electrolytes. Here, we present a coordination chemistry study of Mg(BH4)2 in ethereal solvents. The O donor denticity, i.e. ligand strength of the ethereal solvents which act as ligands to form solvated Mg complexes, plays a significant role in enhancing coulombic efficiency of the corresponding solvated Mg complex electrolytes. A new and safer electrolyte is developed based on Mg(BH4)2, diglyme and optimized LiBH4 additive. The new electrolyte demonstrates 100% coulombic efficiency, no dendrite formation, and stable cycling performance with the cathode capacity retention of ~90% for 300 cycles in a prototype magnesium battery.

  1. Coordination Chemistry in magnesium battery electrolytes: how ligands affect their performance

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

    Shao, Yuyan; Liu, Tianbiao L.; Li, Guosheng; Gu, Meng; Nie, Zimin; Engelhard, Mark H.; Xiao, Jie; Lu, Dongping; Wang, Chong M.; Zhang, Jiguang; et al

    2013-11-04

    Magnesium battery is potentially a safe, cost-effective, and high energy density technology for large scale energy storage. However, the development of magnesium battery has been hindered by the limited performance and the lack of fundamental understandings of electrolytes. Here, we present a coordination chemistry study of Mg(BH4)2 in ethereal solvents. The O donor denticity, i.e. ligand strength of the ethereal solvents which act as ligands to form solvated Mg complexes, plays a significant role in enhancing coulombic efficiency of the corresponding solvated Mg complex electrolytes. A new and safer electrolyte is developed based on Mg(BH4)2, diglyme and optimized LiBH4 additive.more » The new electrolyte demonstrates 100% coulombic efficiency, no dendrite formation, and stable cycling performance with the cathode capacity retention of ~90% for 300 cycles in a prototype magnesium battery.« less

  2. Development of a Thin-Wall Magnesium side door Inner Panel for Automobiles

    SciTech Connect (OSTI)

    Jekl, J.; Auld, J.; Sweet, C.; Carter, Jon; Resch, Steve; Klarner, A.; Brevick, J.; Luo, A.

    2015-05-17

    Cast magnesium side door inner panels can provide a good combination of weight, functional, manufacturing and economical requirements. However, several challenges exist including casting technology for thin-wall part design, multi-material incompatibility and relatively low strength vs steel. A project has been initiated, supported by the US Department of Energy, to design and develop a lightweight frame-under-glass door having a thin-wall, full die-cast, magnesium inner panel. This development project is the first of its kind within North America. Phase I of the project is now complete and the 2.0mm magnesium design, through casting process enablers, has met or exceeded all stiffness requirements, with significant mass reduction and part consolidation. In addition, a corrosion mitigation strategy has been established using industry-accepted galvanic isolation methods and coating technologies.

  3. Production development and utilization of Zimmer Station wet FGD by-products. Final report. Volume 2, Product development of magnesium hydroxide, Phase 1

    SciTech Connect (OSTI)

    Smith, Kevin; Beeghly, Joel H.

    2000-11-30

    In the way of background information about 30 electric utility units with a combined total of 15,000 MW utilize magnesium enhanced lime flue gas desulfurization (FGD) systems. The first generation process begun in 1973, called the Thiosorbic® Process, was a technical breakthrough that offered significantly improved operating and performance characteristics compared with competing FGD technologies. The process is described as Flow Diagram "A" in figure 1. A disadvantage of this and other inhibited or natural oxidation wet FGD systems is the capital and operating cost associated with landfill disposal of the calcium sulfite based solids. Fixation to stabilize the sludge solids for compaction in a landfill also consumes fly ash that otherwise may be marketable.

  4. Fate of Magnesium Chloride Brine Applied to Suppress Dust from Unpaved

    Office of Scientific and Technical Information (OSTI)

    Roads at the INEEL Subsurface Disposal Area (Journal Article) | SciTech Connect Fate of Magnesium Chloride Brine Applied to Suppress Dust from Unpaved Roads at the INEEL Subsurface Disposal Area Citation Details In-Document Search Title: Fate of Magnesium Chloride Brine Applied to Suppress Dust from Unpaved Roads at the INEEL Subsurface Disposal Area Between 1984 and 1993, MgCl2 brine was used to suppress dust on unpaved roads at a radioactive waste subsurface disposal area. Because Cl-

  5. Phase Diagram and Equation of State of Magnesium to High Pressures and High

    Office of Scientific and Technical Information (OSTI)

    Temperatures (Journal Article) | SciTech Connect Phase Diagram and Equation of State of Magnesium to High Pressures and High Temperatures Citation Details In-Document Search Title: Phase Diagram and Equation of State of Magnesium to High Pressures and High Temperatures Authors: Stinton, G W ; MacLeod, S G ; Cynn, H ; Errandonea, D ; Evans, W J ; Proctor, J E ; Meng, Y ; McMahon, M I Publication Date: 2014-01-21 OSTI Identifier: 1188628 Report Number(s): LLNL-JRNL-648674 DOE Contract Number:

  6. On the bonding nature of electron states for the Fe-Mo double perovskite

    SciTech Connect (OSTI)

    Carvajal, E.; Cruz-Irisson, M.; Oviedo-Roa, R.; Navarro, O.

    2014-05-15

    The electronic transport as well as the effect of an external magnetic field has been investigated on manganese-based materials, spinels and perovskites. Potential applications of double perovskites go from magnetic sensors to electrodes in solid-oxide fuel cells; besides the practical interests, it is known that small changes in composition modify radically the physical properties of double perovskites. We have studied the Sr{sub 2}FeMoO{sub 6} double perovskite compound (SFMO) using first-principles density functional theory. The calculations were done within the generalized gradient approximation (GGA) scheme with the Perdew-Burke-Ernzerhof (PBE) functional. We have made a detailed analysis of each electronic state and the charge density maps around the Fermi level. For the electronic properties of SFMO it was used a primitive cell, for which we found the characteristic half-metallic behavior density of states composed by e{sub g} and t{sub 2g} electrons from Fe and Mo atoms. Those peaks were tagged as bonding or antibonding around the Fermi level at both, valence and conduction bands.

  7. Lithium metal oxide electrodes for lithium cells and batteries

    DOE Patents [OSTI]

    Thackeray, Michael M.; Johnson, Christopher S.; Amine, Khalil; Kim, Jaekook

    2006-11-14

    A lithium metal oxide positive electrode for a non-aqueous lithium cell is disclosed. The cell is prepared in its initial discharged state and has a general formula xLiMO.sub.2.(1-x)Li.sub.2M'O.sub.3 in which 0oxidation state and with at least one ion being Ni, and where M' is one or more ions with an average tetravalent oxidation state. Complete cells or batteries are disclosed with anode, cathode and electrolyte as are batteries of several cells connected in parallel or series or both.

  8. Method and apparatus for detecting the presence and thickness of carbon and oxide layers on EUV reflective surfaces

    DOE Patents [OSTI]

    Malinowski, Michael E.

    2005-01-25

    The characteristics of radiation that is reflected from carbon deposits and oxidation formations on highly reflective surfaces such as Mo/Si mirrors can be quantified and employed to detect and measure the presence of such impurities on optics. Specifically, it has been shown that carbon deposits on a Mo/Si multilayer mirror decreases the intensity of reflected HeNe laser (632.8 nm) light. In contrast, oxide layers formed on the mirror should cause an increase in HeNe power reflection. Both static measurements and real-time monitoring of carbon and oxide surface impurities on optical elements in lithography tools should be achievable.

  9. Coated U(Mo) Fuel: As-Fabricated Microstructures

    SciTech Connect (OSTI)

    Emmanuel Perez; Dennis D. Keiser, Jr.; Ann Leenaers; Sven Van den Berghe; Tom Wiencek

    2014-04-01

    As part of the development of low-enriched uranium fuels, fuel plates have recently been tested in the BR-2 reactor as part of the SELENIUM experiment. These fuel plates contained fuel particles with either Si or ZrN thin film coating (up to 1 µm thickness) around the U-7Mo fuel particles. In order to best understand irradiation performance, it is important to determine the starting microstructure that can be observed in as-fabricated fuel plates. To this end, detailed microstructural characterization was performed on ZrN and Si-coated U-7Mo powder in samples taken from AA6061-clad fuel plates fabricated at 500°C. Of interest was the condition of the thin film coatings after fabrication at a relatively high temperature. Both scanning electron microscopy and transmission electron microscopy were employed. The ZrN thin film coating was observed to consist of columns comprised of very fine ZrN grains. Relatively large amounts of porosity could be found in some areas of the thin film, along with an enrichment of oxygen around each of the the ZrN columns. In the case of the pure Si thin film coating sample, a (U,Mo,Al,Si) interaction layer was observed around the U-7Mo particles. Apparently, the Si reacted with the U-7Mo and Al matrix during fuel plate fabrication at 500°C to form this layer. The microstructure of the formed layer is very similar to those that form in U-7Mo versus Al-Si alloy diffusion couples annealed at higher temperatures and as-fabricated U-7Mo dispersion fuel plates with Al-Si alloy matrix fabricated at 500°C.

  10. Intense femtosecond photoexcitation of bulk and monolayer MoS{sub 2}

    SciTech Connect (OSTI)

    Paradisanos, I.; Fotakis, C.; Kymakis, E.; Kioseoglou, G.; Stratakis, E.

    2014-07-28

    The effect of femtosecond laser irradiation on bulk and single-layer MoS{sub 2} on silicon oxide is studied. Optical, field emission scanning electron microscopy and Raman microscopy were used to quantify the damage. The intensity of A{sub 1g} and E{sub 2g}{sup 1} vibrational modes was recorded as a function of the number of irradiation pulses. The observed behavior was attributed to laser-induced bond breaking and subsequent atoms removal due to electronic excitations. The single-pulse optical damage threshold was determined for the monolayer and bulk under 800?nm and 1030?nm pulsed laser irradiation, and the role of two-photon versus one photon absorption effects is discussed.

  11. Nanoscale Phase Separation In Epitaxial Cr-Mo and Cr-V Alloy Thin Films Studied Using Atom Probe Tomography: Comparison Of Experiments And Simulation

    SciTech Connect (OSTI)

    Devaraj, Arun; Kaspar, Tiffany C.; Ramanan, Sathvik; Walvekar, Sarita K.; Bowden, Mark E.; Shutthanandan, V.; Kurtz, Richard J.

    2014-11-21

    Tailored metal alloy thin film-oxide interfaces generated using molecular beam epitaxial (MBE) deposition of alloy thin films on a single crystalline oxide substrate can be used for detailed studies of irradiation damage response on the interface structure. However presence of nanoscale phase separation in the MBE grown alloy thin films can impact the metal-oxide interface structure. Due to nanoscale domain size of such phase separation it is very challenging to characterize by conventional techniques. Therefor laser assisted atom probe tomography (APT) was utilized to study the phase separation in epitaxial Cr0.61Mo0.39, Cr0.77Mo0.23, and Cr0.32V0.68 alloy thin films grown by MBE on MgO(001) single crystal substrates. Statistical analysis, namely frequency distribution analysis and Pearson coefficient analysis of experimental data was compared with similar analyses conducted on simulated APT datasets with known extent of phase separation. Thus the presence of phase separation in Cr-Mo films, even when phase separation was not clearly observed by x-ray diffraction, and the absence of phase separation in the Cr-V film were thus confirmed.

  12. Nanoscale phase separation in epitaxial Cr-Mo and Cr-V alloy thin films studied using atom probe tomography: Comparison of experiments and simulation

    SciTech Connect (OSTI)

    Devaraj, A.; Ramanan, S.; Walvekar, S.; Bowden, M. E.; Shutthanandan, V.; Kaspar, T. C.; Kurtz, R. J.

    2014-11-21

    Tailored metal alloy thin film-oxide interfaces generated using molecular beam epitaxy (MBE) deposition of alloy thin films on a single crystalline oxide substrate can be used for detailed studies of irradiation damage response on the interface structure. However, the presence of nanoscale phase separation in the MBE grown alloy thin films can impact the metal-oxide interface structure. Due to nanoscale domain size of such phase separation, it is very challenging to characterize by conventional techniques. Therefore, laser assisted atom probe tomography (APT) was utilized to study the phase separation in epitaxial Cr{sub 0.61}Mo{sub 0.39}, Cr{sub 0.77}Mo{sub 0.23}, and Cr{sub 0.32}V{sub 0.68} alloy thin films grown by MBE on MgO(001) single crystal substrates. Statistical analysis, namely frequency distribution analysis and Pearson coefficient analysis of experimental data was compared with similar analyses conducted on simulated APT datasets with known extent of phase separation. Thus, the presence of phase separation in Cr-Mo films, even when phase separation was not clearly observed by x-ray diffraction, and the absence of phase separation in the Cr-V film were confirmed.

  13. Fabrication of solid oxide fuel cell by electrochemical vapor deposition

    DOE Patents [OSTI]

    Riley, B.; Szreders, B.E.

    1988-04-26

    In a high temperature solid oxide fuel cell (SOFC), the deposition of an impervious high density thin layer of electrically conductive interconnector material, such as magnesium doped lanthanum chromite, and of an electrolyte material, such as yttria stabilized zirconia, onto a porous support/air electrode substrate surface is carried out at high temperatures (/approximately/1100/degree/ /minus/ 1300/degree/C) by a process of electrochemical vapor deposition. In this process, the mixed chlorides of the specific metals involved react in the gaseous state with water vapor resulting in the deposit of an impervious thin oxide layer on the support tube/air electrode substrate of between 20--50 microns in thickness. An internal heater, such as a heat pipe, is placed within the support tube/air electrode substrate and induces a uniform temperature profile therein so as to afford precise and uniform oxide deposition kinetics in an arrangement which is particularly adapted for large scale, commercial fabrication of SOFCs.

  14. Fabrication of solid oxide fuel cell by electrochemical vapor deposition

    DOE Patents [OSTI]

    Brian, Riley; Szreders, Bernard E.

    1989-01-01

    In a high temperature solid oxide fuel cell (SOFC), the deposition of an impervious high density thin layer of electrically conductive interconnector material, such as magnesium doped lanthanum chromite, and of an electrolyte material, such as yttria stabilized zirconia, onto a porous support/air electrode substrate surface is carried out at high temperatures (approximately 1100.degree.-1300.degree. C.) by a process of electrochemical vapor deposition. In this process, the mixed chlorides of the specific metals involved react in the gaseous state with water vapor resulting in the deposit of an impervious thin oxide layer on the support tube/air electrode substrate of between 20-50 microns in thickness. An internal heater, such as a heat pipe, is placed within the support tube/air electrode substrate and induces a uniform temperature profile therein so as to afford precise and uniform oxide deposition kinetics in an arrangement which is particularly adapted for large scale, commercial fabrication of SOFCs.

  15. Magnesium transport extraction of transuranium elements from LWR fuel

    DOE Patents [OSTI]

    Ackerman, John P.; Battles, James E.; Johnson, Terry R.; Miller, William E.; Pierce, R. Dean

    1992-01-01

    A process of separating transuranium actinide values from uranium values present in spent nuclear oxide fuels which contain rare earth and noble metal fission products. The oxide fuel is reduced with Ca metal in the presence of CaCl.sub.2 and a U-Fe alloy containing not less than about 84% by weight uranium at a temperature in the range of from about 800.degree. C. to about 850.degree. C. to produce additional uranium metal which dissolves in the U-Fe alloy raising the uranium concentration and having transuranium actinide metals and rare earth fission product metals and the noble metal fission products dissolved therein. The CaCl.sub.2 having CaO and fission products of alkali metals and the alkali earth metals and iodine dissolved therein is separated and electrolytically treated with a carbon electrode to reduce the CaO to Ca metal while converting the carbon electrode to CO and CO.sub.2. The Ca metal and CaCl.sub.2 is recycled to reduce additional oxide fuel. The U-Fe alloy having transuranium actinide metals and rare earth fission product metals and the noble metal fission products dissolved therein is contacted with Mg metal which takes up the actinide and rare earth fission product metals. The U-Fe alloy retains the noble metal fission products and is stored while the Mg is distilled and recycled leaving the transuranium actinide and rare earth fission products isolated.

  16. Ligand Bridging-Angle-Driven Assembly of Molecular Architectures Based on Quadruply Bonded Mo-Mo Dimers

    SciTech Connect (OSTI)

    Li, Jian-Rong; Yakovenko, Andrey A; Lu, Weigang; Timmons, Daren J; Zhuang, Wenjuan; Yuan, Daqiang; Zhou, Hong-Cai

    2010-12-15

    A systematic exploration of the assembly of Mo?(O?C-)?-based metalorganic molecular architectures structurally controlled by the bridging angles of rigid organic linkers has been performed. Twelve bridging dicarboxylate ligands were designed to be of different sizes with bridging angles of 0, 60, 90, and 120 while incorporating a variety of nonbridging functional groups, and these ligands were used as linkers. These dicarboxylate linkers assemble with quadruply bonded MoMo clusters acting as nodes to give 13 molecular architectures, termed metalorganic polygons/polyhedra with metal cluster node arrangements of a linear shape, triangle, octahedron, and cuboctahedron/anti-cuboctahedron. The syntheses of these complexes have been optimized and their structures determined by single-crystal X-ray diffraction. The results have shown that the shape and size of the resulting molecular architecture can be controlled by tuning the bridging angle and size of the linker, respectively. Functionalization of the linker can adjust the solubility of the ensuing molecular assembly but has little or no effect on the geometry of the product. Preliminary gas adsorption, spectroscopic, and electrochemical properties of selected members were also studied. The present work is trying to enrich metal-containing supramolecular chemistry through the inclusion of well-characterized quadruply bonded MoMo units into the structures, which can widen the prospect of additional electronic functionality, thereby leading to novel properties.

  17. U-Mo Plate Blister Anneal Interim Report

    SciTech Connect (OSTI)

    Francine J. Rice; Daniel M. Wachs; Adam B. Robinson; Dennis D. Keiser Jr.; Jan-Fong Jue; Danielle M. Perez; Ross Finlay

    2010-10-01

    Blister thresholds in fuel elements have been a longstanding performance parameter for fuel elements of all types. This behavior has yet to be fully defined for the RERTR U-Mo fuel types. Blister anneal studies that began in 2007 have been expanded to include plates from more recent RERTR experiments. Preliminary data presented in this report encompasses the early generations of the U-Mo fuel systems and the most recent but still developing fuel system. Included is an overview of relevant dispersion fuel systems for the purposes of comparison.

  18. Method to decrease loss of aluminum and magnesium melts

    DOE Patents [OSTI]

    Hryn, John N. (Naperville, IL); Pellin, Michael J. (Naperville, IL); Calaway, Jr., Wallis F. (Woodridge, IL); Moore, Jerry F. (Naperville, IL); Krumdick, Gregory K. (Crete, IL)

    2002-01-01

    A method to minimize oxidation of metal during melting processes is provided, the method comprising placing solid phase metal into a furnace environ-ment, transforming the solid-phase metal into molten metal phase having a molten metal surface, and creating a barrier between the surface and the environment. Also provided is a method for isolating the surface of molten metal from its environment, the method comprising confining the molten metal to a controlled atmos-phere, and imposing a floating substrate between the surface and the atmosphere.

  19. Transition Metal Oxide Alloys as Potential Solar Energy Conversion Materials

    SciTech Connect (OSTI)

    Toroker, Maytal; Carter, Emily A.

    2013-02-21

    First-row transition metal oxides (TMOs) are inexpensive potentia alternative materials for solar energy conversion devices. However, some TMOs, such as manganese(II) oxide, have band gaps that are too large for efficiently absorbing solar energy. Other TMOs, such as iron(II) oxide, have conduction and valence band edges with the same orbital character that may lead to unfavorably high electronhole recombination rates. Another limitation of iron(II) oxide is that the calculated valence band edge is not positioned well for oxidizing water. We predict that key properties, including band gaps, band edge positions, and possibly electronhole recombination rates, may be improved by alloying TMOs that have different band alignments. A new metric, the band gap center offset, is introduced for simple screening of potential parent materials. The concept is illustrated by calculating the electronic structure of binary oxide alloys that contain manganese, nickel, iron, zinc, and/or magnesium, within density functional theory (DFT)+U and hybrid DFT theories. We conclude that alloys of iron(II) oxide are worth evaluating further as solar energy conversion materials.

  20. Aerosol chemical vapor deposition of metal oxide films

    DOE Patents [OSTI]

    Ott, Kevin C.; Kodas, Toivo T.

    1994-01-01

    A process of preparing a film of a multicomponent metal oxide including: forming an aerosol from a solution comprised of a suitable solvent and at least two precursor compounds capable of volatilizing at temperatures lower than the decomposition temperature of said precursor compounds; passing said aerosol in combination with a suitable oxygen-containing carrier gas into a heated zone, said heated zone having a temperature sufficient to evaporate the solvent and volatilize said precursor compounds; and passing said volatilized precursor compounds against the surface of a substrate, said substrate having a sufficient temperature to decompose said volatilized precursor compounds whereby metal atoms contained within said volatilized precursor compounds are deposited as a metal oxide film upon the substrate is disclosed. In addition, a coated article comprising a multicomponent metal oxide film conforming to the surface of a substrate selected from the group consisting of silicon, magnesium oxide, yttrium-stabilized zirconium oxide, sapphire, or lanthanum gallate, said multicomponent metal oxide film characterized as having a substantially uniform thickness upon said FIELD OF THE INVENTION The present invention relates to the field of film coating deposition techniques, and more particularly to the deposition of multicomponent metal oxide films by aerosol chemical vapor deposition. This invention is the result of a contract with the Department of Energy (Contract No. W-7405-ENG-36).

  1. Atomic layer deposition grown MO{sub x} thin films for solar water splitting: Prospects and challenges

    SciTech Connect (OSTI)

    Singh, Trilok; Lehnen, Thomas; Leuning, Tessa; Mathur, Sanjay

    2015-01-15

    The magnitude of energy challenge not only calls for efficient devices but also for abundant, inexpensive, and stable photoactive materials that can enable efficient light harvesting, charge separation and collection, as well as chemical transformations. Photoelectrochemical systems based on semiconductor materials have the possibility to transform solar energy directly into chemical energy the so-called “solar hydrogen.” The current challenge lies in the harvesting of a larger fraction of electromagnetic spectrum by enhancing the absorbance of electrode materials. In this context, atomically precise thin films of metal oxide semiconductors and their multilayered junctions are promising candidates to integrate high surface areas with well-defined electrode–substrate interface. Given its self-limited growth mechanism, the atomic layer deposition (ALD) technique offers a wide range of capabilities to deposit and modify materials at the nanoscale. In addition, it opens new frontiers for developing precursor chemistry that is inevitable to design new processes. Herein, the authors review the properties and potential of metal oxide thin films deposited by ALD for their application in photoelectrochemical water splitting application. The first part of the review covers the basics of ALD processes followed by a brief discussion on the electrochemistry of water splitting reaction. The second part focuses on different MO{sub x} films deposited by atomic layer deposition for water splitting applications; in this section, The authors discuss the most explored MO{sub x} semiconductors, namely, Fe{sub 2}O{sub 3}, TiO{sub 2}, WO{sub 3}, and ZnO, as active materials and refer to their application as protective coatings, conductive scaffolds, or in heterojunctions. The third part deals with the current challenges and future prospects of ALD processed MO{sub x} thin films for water splitting reactions.

  2. Comparison of Crevice Corrosion of Fe-Based Amorphous Metal and Crystalline Ni-Cr-Mo Alloy

    SciTech Connect (OSTI)

    Shan, X; Ha, H; Payer, J H

    2008-07-24

    The crevice corrosion behaviors of an Fe-based bulk metallic glass alloy (SAM1651) and a Ni-Cr-Mo crystalline alloy (C-22) were studied in 4M NaCl at 100 C with cyclic potentiodynamic polarization and constant potential tests. The corrosion damage morphologies, corrosion products and the compositions of corroded surfaces of these two alloys were studied with optical 3D reconstruction, Scanning Electron Microscopy (SEM), Energy Dispersive Spectroscopy (EDS) and Auger Electron Spectroscopy (AES). It was found that the Fe-based bulk metallic glass (amorphous alloy) SAM1651 had a more positive breakdown potential and repassivation potential than crystalline alloy C-22 in cyclic potentiodynamic polarization tests and required a more positive oxidizing potential to initiate crevice corrosion in constant potential test. Once crevice corrosion initiated, the corrosion propagation of C-22 was more localized near the crevice border compared to SAM1651, and SAM1651 repassivated more readily than C-22. The EDS results indicated that the corrosion products of both alloys contained high amount of O and were enriched in Mo and Cr. The AES results indicated that a Cr-rich oxide passive film was formed on the surfaces of both alloys, and both alloys were corroded congruently.

  3. Policy Flash 2013-71 AL 2013-11 NON M&O CONTRACTOR BUSINESS SYSTEMS...

    Energy Savers [EERE]

    Policy Flash 2013-71 AL 2013-11 NON M&O CONTRACTOR BUSINESS SYSTEMS CLAUSES FOR SECTION H Policy Flash 2013-71 AL 2013-11 NON M&O CONTRACTOR BUSINESS SYSTEMS CLAUSES FOR SECTION H...

  4. Coupling of oxidative dehydrogenation and aromatization reactions of butane

    SciTech Connect (OSTI)

    Xu, Wen-Qing; Suib, S.L. )

    1994-01-01

    Coupling of oxidative dehydrogenation and aromatization of butane by using a dual function catalyst has led to a significant enhancement of the yields (from 25 to 40%) and selectivities to aromatics (from 39 to 64%). Butane is converted to aromatics by using either zinc-promoted [Ga]-ZSM-5 or zinc and gallium copromoted [Fe]-ZSM-5 zeolite as a catalyst. However, the formation of aromatics is severely limited by hydrocracking of butane to methane, ethane, and propane due to the hydrogen formed during aromatization reactions. On the other hand, the oxidative dehydrogenation of butane to butene over molybdate catalysts is found to be accompanied by a concurrent undesirable reaction, i.e., total oxidation. When two of these reactions (oxidative dehydrogenation and aromatization of butane) are coupled by using a dual function catalyst they have shown to complement each other. It is believed that the rate-limiting step for aromatization (butane to butene) is increased by adding an oxidative dehydrogenation catalyst (Ga-Zn-Mg-Mo-O). The formation of methane, ethane, and propane was suppressed due to the removal of hydrogen initially formed as water. Studies of ammonia TPD show that the acidities of [Fe]-ZSM-5 are greatly affected by the existence of metal oxides such as Ga[sub 2]O[sub 3], MgO, ZnO, and MoO[sub 3]. 40 refs., 9 figs., 1 tab.

  5. Corrosion report for the U-Mo fuel concept

    SciTech Connect (OSTI)

    Henager, Jr., Charles H.; Bennett, Wendy D.; Doherty, Ann L.; Fuller, E. S.; Hardy, John S.; Omberg, Ronald P.

    2014-08-28

    The Fuel Cycle Research and Development (FCRD) program of the Office of Nuclear Energy (NE) has implemented a program to develop a Uranium-Molybdenum (U-Mo) metal fuel for Light Water Reactors (LWR)s. Uranium-Molybdenum fuel has the potential to provide superior performance based on its thermo-physical properties, which includes high thermal conductivity for less stored heat energy. With sufficient development, it may be able to provide the Light Water industry with a melt-resistant accident tolerant fuel with improved safety response. However, the corrosion of this fuel in reactor water environments needs to be further explored and optimized by additional alloying. The Pacific Northwest National Laboratory has been tasked with performing ex-reactor corrosion testing to characterize the performance of U-Mo fuel. This report documents the results of the effort to characterize and develop the U-Mo metal fuel concept for LWRs with regard to corrosion testing. The results of a simple screening test in buffered water at 30°C using surface alloyed U-10Mo is documented and discussed. The screening test was used to guide the selection of several potential alloy improvements that were found and are recommended for further testing in autoclaves to simulate PWR water conditions more closely.

  6. Synthesis and Structural Characterization of Magnesium Based Coordination Networks in Different Solvents

    SciTech Connect (OSTI)

    Banerjee, Debasis; Finkelstein, Jeffrey; Smirnov, A.; Forster, Paul M.; Borkowski, Lauren A.; Teat, Simon J.; Parise, John B.

    2015-10-15

    Three magnesium based metal-organic frameworks, Mg{sub 3}(3,5-PDC){sub 3}(DMF){sub 3} {center_dot} DMF [1], Mg(3,5-PDC)(H{sub 2}O) {center_dot} (H{sub 2}O) [3], and Mg4(3,5-PDC)4(DMF){sub 2}(H{sub 2}O){sub 2} {center_dot} 2DMF {center_dot} 4.5H{sub 2}O [4], and a 2-D coordination polymer, [Mg(3,5-PDC)(H{sub 2}O){sub 2}] [2] [PDC = pyridinedicarboxylate], were synthesized using a combination of DMF, methanol, ethanol, and water. Compound 1 [space group P2{sub 1}/n, a = 12.3475(5) {angstrom}, b = 11.1929(5) {angstrom}, c = 28.6734(12) {angstrom}, {beta} = 98.8160(10){sup o}, V = 3916.0(3) {angstrom}{sup 3}] consists of a combination of isolated and corner-sharing magnesium octahedra connected by the organic linkers to form a 3-D network with a 12.2 {angstrom} x 4.6 {angstrom} 1-D channel. The channel contains coordinated and free DMF molecules. In compound 2 [space group C2/c, a = 9.964(5) {angstrom}, b = 12.0694(6) {angstrom}, c = 7.2763(4) {angstrom}, {beta} = 106.4970(6){sup o}, V = 836.70(6) {angstrom}{sup 3}], PDC connects isolated seven coordinated magnesium polyhedra into a layered structure. Compound 3 [space group P6{sub 1}22, a = 11.479(1) {angstrom}, c = 14.735(3) {angstrom}, V = 1681.7(4) {angstrom}{sup 3}] (previously reported) contains isolated magnesium octahedra connected by the organic linker with each other forming a 3D network. Compound 4 [space group P2{sub 1}/c, a = 13.7442(14) {angstrom}, b = 14.2887(15) {angstrom}, c = 14.1178(14) {angstrom}, {beta} = 104.912(2){sup o}, V = 2679.2(5) {angstrom}{sup 3}] also exhibits a 3D network based on isolated magnesium octahedra with square cavities containing both disordered DMF and water molecules. The structural topologies originate due to the variable coordination ability of solvent molecules with the metal center. Water molecules coordinate with the magnesium metal centers preferably over other polar solvents (DMF, methanol, ethanol) used to synthesize the coordination networks. Despite testing multiple desolvation routes, we were unable to measure BET surface areas greater than 51.9 m{sup 2}/g for compound 1.

  7. Vehicle Technologies Office Merit Review 2015: Scale-Up of Magnesium Production by Fully Stabilized Zirconia Electrolysis

    Broader source: Energy.gov [DOE]

    Presentation given by INFINIUM, Inc. at 2015 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about scale-up of magnesium...

  8. Vehicle Technologies Office Merit Review 2014: Scale-Up of Magnesium Production by Fully Stabilized Zirconia Electrolysis

    Broader source: Energy.gov [DOE]

    Presentation given by INFINIUM, Inc. at 2014 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about scale-up of magnesium...

  9. Oxidation catalyst

    DOE Patents [OSTI]

    Ceyer, Sylvia T.; Lahr, David L.

    2010-11-09

    The present invention generally relates to catalyst systems and methods for oxidation of carbon monoxide. The invention involves catalyst compositions which may be advantageously altered by, for example, modification of the catalyst surface to enhance catalyst performance. Catalyst systems of the present invention may be capable of performing the oxidation of carbon monoxide at relatively lower temperatures (e.g., 200 K and below) and at relatively higher reaction rates than known catalysts. Additionally, catalyst systems disclosed herein may be substantially lower in cost than current commercial catalysts. Such catalyst systems may be useful in, for example, catalytic converters, fuel cells, sensors, and the like.

  10. Tuning magnetism of monolayer MoS{sub 2} by doping vacancy and applying strain

    SciTech Connect (OSTI)

    Zheng, Huiling; Yang, Baishun; Han, Ruilin; Du, Xiaobo; Yan, Yu; Wang, Dingdi

    2014-03-31

    In view of important role of inducing and manipulating the magnetism in two-dimensional materials for the development of low-dimensional spintronic devices, the influences of strain on electronic structure and magnetic properties of commonly observed vacancies doped monolayer MoS{sub 2} are investigated using first-principles calculations. It is shown that unstrained V{sub S}, V{sub S2}, and V{sub MoS3} doped monolayer MoS{sub 2} systems are nonmagnetic, while the ground state of unstrained V{sub MoS6} doped system is magnetic and the magnetic moment is contributed mainly by six Mo atoms around V{sub MoS6}. In particular, tensile strain can induce magnetic moments in V{sub S}, V{sub S2}, and V{sub MoS3} doped monolayer MoS{sub 2} due to the breaking of Mo–Mo metallic bonds around the vacancies, while the magnetization induced by V{sub MoS6} can be effectively manipulated by equibiaxial strain due to the change of Mo–Mo metallic bonds around V{sub MoS6} under strains.

  11. Defects Engineered Monolayer MoS2 for Improved Hydrogen Evolution Reaction

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

    Ye, Gonglan; Gong, Yongji; Lin, Junhao; Li, Bo; He, Yongmin; Pantelides, Sokrates T.; Zhou, Wu; Vajtai, Robert; Ajayan, Pulickel M.

    2016-01-13

    MoS2 is a promising, low-cost material for electrochemical hydrogen production due to its high activity and stability during the reaction. Our work represents an easy method to increase the hydrogen production in electrochemical reaction of MoS2 via defect engineering, and helps to understand the catalytic properties of MoS2.

  12. Characterization of reactively sputtered molybdenum oxide films for solar cell application

    SciTech Connect (OSTI)

    Simchi, H.; Boyle, J. H.; Shafarman, W. N.; McCandless, B. E.; Meng, T.

    2013-07-07

    Molybdenum oxide (MoO{sub 3}) thin films were prepared via Radio Frequency (RF) sputtering at different ambient composition and post-deposition annealing. The effects on the structural, optical, and surface properties of the deposited films were investigated. The ambient oxygen concentration O{sub 2}/(O{sub 2} + Ar) was varied from 10% to 100% at 10 mTorr. Post deposition anneals were performed in Ar at 300-500 Degree-Sign C. The films were analyzed using glancing incidence x-ray diffraction (GIXRD), UV/Vis/NIR spectrophotometry, and x-ray photoelectron spectroscopy (XPS). As-deposited films have amorphous structures, independent of the oxygen partial pressure. Annealing at 300 Degree-Sign C in air resulted in crystallization of the molybdenum oxide films to the monoclinic {beta}-MoO{sub 3} phase. Samples annealed at 400 and 500 Degree-Sign C were identified as pure orthorhombic {alpha}-MoO{sub 3} phase with (020) preferred orientation. High resolution XPS studies showed the presence of Mo{sup 6+} (MoO{sub 3}) and Mo{sup 5+} (Mo{sub 4}O{sub 11}) oxidation states at the surface of as deposited and low temperature (300 Degree-Sign C) annealed films, and the Mo{sup 6+} to Mo{sup 5+} did not change much with deposition oxygen partial pressure. Annealing at 400-500 Degree-Sign C suppressed the oxygen deficiency at the surface, resulting in films with composition close to stoichiometric phases. UV/Vis/NIR spectrophotometry revealed that all films have a high optical transmittance (>80%) in the visible range, followed by a steep drop at {lambda} Almost-Equal-To 400 nm indicating a strong absorption due to band-to-band transition. Increasing the oxygen partial pressure had no significant effect on optical transmittance of the films, and the bandgaps in the range of 2.6 eV to 2.9 eV were obtained. Annealing at 300 Degree-Sign C had a negligible effect on the optical properties of the MoO{sub 3} films, but samples annealed at 400 Degree-Sign C and 500 Degree-Sign C exhibited wider bandgaps within the range of 3.1-3.4 eV.

  13. Low-Cost Magnesium Sheet Production using the Twin Roll Casting Process and

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

    Asymmetric Rolling | Department of Energy 2 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting PDF icon lm058_warren_2012_o.pdf More Documents & Publications Low-Cost Magnesium Sheet Production using the Twin Roll Casting Process and Asymmetric Rolling Materials Characterization Capabilities at the High Temperature Materials Laboratory: Focus Lightweighting Materials Materials Characterization Capabilities at the High

  14. Magnesium Replacement of Aluminum Cast Components in a Production V6 Engine

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

    to Effect Cost-Effective Mass Reduction | Department of Energy Presentation given at the 16th Directions in Engine-Efficiency and Emissions Research (DEER) Conference in Detroit, MI, September 27-30, 2010. PDF icon deer10_powell.pdf More Documents & Publications Magnesium Powertrain Cast Components FY 2009 Progress Report for Lightweighting Materials - 3. Automotive Metals - Cast FY 2008 Progress Report for Lightweighting Materials - 3. Automotive Metals-Cast

  15. Large scale two-dimensional arrays of magnesium diboride superconducting quantum interference devices

    SciTech Connect (OSTI)

    Cybart, Shane A. Dynes, R. C.; Wong, T. J.; Cho, E. Y.; Beeman, J. W.; Yung, C. S.; Moeckly, B. H.

    2014-05-05

    Magnetic field sensors based on two-dimensional arrays of superconducting quantum interference devices were constructed from magnesium diboride thin films. Each array contained over 30?000 Josephson junctions fabricated by ion damage of 30?nm weak links through an implant mask defined by nano-lithography. Current-biased devices exhibited very large voltage modulation as a function of magnetic field, with amplitudes as high as 8?mV.

  16. Structure and electronic properties of Cu nanoclusters supported on Mo2C(001) and MoC(001) surfaces

    SciTech Connect (OSTI)

    Posada-Pérez, Sergio; Viñes, Francesc; Rodríguez, José A.; Illas, Francesc

    2015-09-15

    In this study, the atomic structure and electronic properties of Cun nanoclusters (n = 4, 6, 7, and 10) supported on cubic nonpolar δ-MoC(001) and orthorhombic C- or Mo-terminated polar β-Mo2C(001) surfaces have been investigated by means of periodic density functional theory based calculations. The electronic properties have been analyzed by means of the density of states, Bader charges, and electron localization function plots. The Cu nanoparticles supported on β-Mo2C(001), either Mo- or C-terminated, tend to present a two-dimensional structure whereas a three-dimensional geometry is preferred when supported on δ-MoC(001), indicating that the Mo:C ratio and the surface polarity play a key role determining the structure of supported clusters. Nevertheless, calculations also reveal important differences between the C- and Mo-terminated β-Mo2C(001) supports to the point that supported Cu particles exhibit different charge states, which opens a way to control the reactivity of these potential catalysts.

  17. Manufacturing of SiCp Reinforced Magnesium Composite Tubes by Hot Extrusion Processes

    SciTech Connect (OSTI)

    Hwang, Yeong-Maw [National Sun Yat-Sen University-Department of Mechanical and Electro-mechanical Engineering, No.70, Lien-Hai Rd., Kaohsiung, Taiwan (China); Huang, Song-Jeng; Huang, Yu-San [National Chung Cheng University-Department of Mechanical Engineering, 168 University Rd. Ming-Hsiung, ChiaYi, Taiwan (China)

    2011-05-04

    Magnesium alloys have higher specific strength compared with other metals, such as aluminum, copper and steel. Nevertheless, their ductility is still not good for further metal forming and their strength is not large enough for real structure applications. The aim of this paper is to develop magnesium alloy composite tubes reinforced with SiC particulates by the stir-casting method and hot extrusion processes. At first, AZ61/SiCp composite ingots reinforced with 5 wt% SiC particulates are fabricated by the melt-stirring technique. Then, finite element simulations are conducted to analyze the plastic flow of magnesium alloy AZ61 within the die and the temperature distribution of the products. AZ61/SiCp composite tubes are manufactured by hot extrusion using a specially designed die-set for obtaining uniform thickness distribution tubes. Finally, the mechanical properties of the reinforced AZ61/SiCp composite and Mg alloy AZ61 tubes are compared with those of the billets to manifest the advantages of extrusion processes and reinforcement of SiC particulates. The microstructures of the billet and extruded tubes are also observed. Through the improvement of the strength of the tube product, its life cycle can be extended and the energy consumption can be reduced, and eventually the environmental sustainability is achieved.

  18. Process for CO.sub.2 capture using a regenerable magnesium hydroxide sorbent

    DOE Patents [OSTI]

    Siriwardane, Ranjani V; Stevens, Jr., Robert W

    2013-06-25

    A process for CO.sub.2 separation using a regenerable Mg(OH).sub.2 sorbent. The process absorbs CO.sub.2 through the formation of MgCO.sub.3 and releases water product H.sub.2O. The MgCO.sub.3 is partially regenerated through direct contact with steam, which acts to heat the magnesium carbonate to a higher temperature, provide heat duty required to decompose the magnesium carbonate to yield MgO and CO.sub.2, provide an H.sub.2O environment over the magnesium carbonate thereby shifting the equilibrium and increasing the potential for CO.sub.2 desorption, and supply H.sub.2O for rehydroxylation of a portion of the MgO. The mixture is polished in the absence of CO.sub.2 using water product H.sub.2O produced during the CO.sub.2 absorption to maintain sorbent capture capacity. The sorbent now comprised substantially of Mg(OH).sub.2 is then available for further CO.sub.2 absorption duty in a cyclic process.

  19. Magnesite Step Growth Rates as a Function of the Aqueous Magnesium:Carbonate Ratio

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

    Bracco, Jacquelyn N.; Stack, Andrew G.; Higgins, Steven R.

    2014-10-01

    Step velocities of monolayer-height steps on the (101⁻4) magnesite surface have been measured as functions of the aqueous magnesium-to-carbonate ratio and saturation index (SI) using a hydrothermal atomic force microscope (HAFM). At SI ≤ 1.9 and 80-90 °C, step velocities were found to be invariant with changes in the magnesium-to-carbonate ratio, an observation in contrast with standard models for growth and dissolution of ionically-bonded, multi-component crystals. However, at high saturation indices (SI = 2.15), step velocities displayed a ratio dependence, maximized at magnesium-to-carbonate ratios slightly greater than 1:1. Traditional affinity-based models were unable to describe growth rates at the highermore » saturation index. Step velocities also could not be modeled solely through nucleation of kink sites, in contrast to other minerals whose bonding between constituent ions is also dominantly ionic in nature, such as calcite and barite. Instead, they could be described only by a model that incorporates both kink nucleation and propagation. Based on observed step morphological changes at these higher saturation indices, the step velocity maximum at SI = 2.15 is likely due to the rate of attachment to propagating kink sites overcoming the rate of detachment from kink sites as the latter becomes less significant under far from equilibrium conditions.« less

  20. Thermal transport properties of metal/MoS{sub 2} interfaces from first principles

    SciTech Connect (OSTI)

    Mao, Rui; Kong, Byoung Don; Kim, Ki Wook, E-mail: kwk@ncsu.edu [Department of Electrical and Computer Engineering, North Carolina State University, Raleigh, North Carolina 27695-7911 (United States)

    2014-07-21

    Thermal transport properties at the metal/MoS{sub 2} interfaces are analyzed by using an atomistic phonon transport model based on the Landauer formalism and first-principles calculations. The considered structures include chemisorbed Sc(0001)/MoS{sub 2} and Ru(0001)/MoS{sub 2}, physisorbed Au(111)/MoS{sub 2}, as well as Pd(111)/MoS{sub 2} with intermediate characteristics. Calculated results illustrate a distinctive dependence of thermal transfer on the details of interfacial microstructures. More specifically, the chemisorbed case with a stronger bonding exhibits a generally smaller interfacial thermal resistance than the physisorbed. Comparison between metal/MoS{sub 2} and metal/graphene systems suggests that metal/MoS{sub 2} is significantly more resistive. Further examination of lattice dynamics identifies the presence of multiple distinct atomic planes and bonding patterns at the interface as the key origins of the observed large thermal resistance.

  1. Development of uranium metal targets for {sup 99}Mo production

    SciTech Connect (OSTI)

    Wiencek, T.C.; Hofman, G.L.

    1993-10-01

    A substantial amount of high enriched uranium (HEU) is used for the production of medical-grade {sup 99}Mo. Promising methods of producing irradiation targets are being developed and may lead to the reduction or elimination of this HEU use. To substitute low enriched uranium (LEU) for HEU in the production of {sup 99}Mo, the target material may be changed to uranium metal foil. Methods of fabrication are being developed to simplify assembly and disassembly of the targets. Removal of the uranium foil after irradiation without dissolution of the cladding is a primary goal in order to reduce the amount of liquid radioactive waste material produced in the process. Proof-of-concept targets have been fabricated. Destructive testing indicates that acceptable contact between the uranium foil and the cladding can be achieved. Thermal annealing tests, which simulate the cladding/uranium diffusion conditions during irradiation, are underway. Plans are being made to irradiate test targets.

  2. Undercooled and rapidly quenched Ni-Mo alloys

    SciTech Connect (OSTI)

    Tewari, S.N.; Glasgow, T.K.

    1986-01-01

    Hypoeutectic, eutectic, and hypereutectic nickel-molybdenum alloys were rapidly solidified by both bulk undercooling and melt spinning techniques. Alloys were undercooled in both electromagnetic levitation and differential thermal analysis equipment. The rate of recalescence depended upon the degree of initial undercooling and the nature (faceted or nonfaceted) of the primary nucleating phase. Alloy melts were observed to undercool more in the presence of primary Beta (NiMo intermetallic) phase than in gamma (fcc solid solution) phase. Melt spinning resulted in an extension of molybdenum solid solubility in gamma nickel, from 28 to 37.5 at % Mo. Although the microstructures observed by undercooling and melt spinning were similar the microsegregation pattern across the gamma dendries was different. The range of microstructures evolved was analyzed in terms of the nature of the primary phase to nucleate, its subsequent dendritic growth, coarsening and fragmentation, and final solidification of interfenderitic liquid.

  3. IRRADIATION PERFORMANCE OF U-Mo MONOLITHIC FUEL

    SciTech Connect (OSTI)

    M.K. Meyer; J. Gan; J.-F. Jue; D.D. Keiser; E. Perez; A. Robinson; D.M. Wachs; N. Woolstenhulme; G.L. Hofman; Y.-S. Kim

    2014-04-01

    High-performance research reactors require fuel that operates at high specific power to high fission density, but at relatively low temperatures. Research reactor fuels are designed for efficient heat rejection, and are composed of assemblies of thin-plates clad in aluminum alloy. The development of low-enriched fuels to replace high-enriched fuels for these reactors requires a substantially increased uranium density in the fuel to offset the decrease in enrichment. Very few fuel phases have been identified that have the required combination of very-high uranium density and stable fuel behavior at high burnup. UMo alloys represent the best known tradeoff in these properties. Testing of aluminum matrix U-Mo aluminum matrix dispersion fuel revealed a pattern of breakaway swelling behavior at intermediate burnup, related to the formation of a molybdenum stabilized high aluminum intermetallic phase that forms during irradiation. In the case of monolithic fuel, this issue was addressed by eliminating, as much as possible, the interfacial area between U-Mo and aluminum. Based on scoping irradiation test data, a fuel plate system composed of solid U-10Mo fuel meat, a zirconium diffusion barrier, and Al6061 cladding was selected for development. Developmental testing of this fuel system indicates that it meets core criteria for fuel qualification, including stable and predictable swelling behavior, mechanical integrity to high burnup, and geometric stability. In addition, the fuel exhibits robust behavior during power-cooling mismatch events under irradiation at high power.

  4. Effective hole extraction using MoO{sub x}-Al contact in perovskite CH{sub 3}NH{sub 3}PbI{sub 3} solar cells

    SciTech Connect (OSTI)

    Zhao, Yixin; Nardes, Alexandre M.; Zhu, Kai

    2014-05-26

    We report an 11.4%-efficient perovskite CH{sub 3}NH{sub 3}PbI{sub 3} solar cell using low-cost molybdenum oxide/aluminum (i.e., MoO{sub x}/Al) as an alternative top contact to replace noble/precious metals (e.g., Au or Ag) for extracting photogenerated holes. The device performance of perovskite solar cells using a MoO{sub x}/Al top contact is comparable to that of cells using the standard Ag top contact. Analysis of impedance spectroscopy measurements suggests that using 10-nm-thick MoO{sub x} and Al does not affect charge-recombination properties of perovskite solar cells. Using a thicker (20-nm) MoO{sub x} layer leads to a lower cell performance caused mainly by a reduced fill factor. Our results suggest that MoO{sub x}/Al is promising as a low-cost and effective hole-extraction contact for perovskite solar cells.

  5. Thermal-mechanical stability of single crystal oxide refractive concentrators for high-temperature solar thermal propulsion

    SciTech Connect (OSTI)

    Zhu, D.; Jacobson, S.; Miller, R.A.

    1999-07-01

    Single crystal oxides such as yttria-stabilized zirconia (Y{sub 2}O{sub 3}-ZrO{sub 2}), yttrium aluminum garnet (Y{sub 3}Al{sub 5}O{sub 12}, or YAG), magnesium oxide (MgO) and sapphire (Al{sub 2}O{sub 3}) are candidate refractive secondary concentrator materials for high temperature solar propulsion applications. However, thermo-mechanical reliability of these components in severe thermal environments during the space mission sun/shade transition is of great concern. Simulated mission tests are important for evaluating these candidate oxide materials under a variety of transient and steady-state heat flux conditions, and thus provide vital information for the component design. In this paper, a controlled heat flux thermal shock test approach is established for the single crystal oxide materials using a 3.0 kW continuous wave CO{sub 2} laser, with a wavelength 10.6 micron. Thermal fracture behavior and failure mechanisms of these oxide materials are investigated and critical temperature gradients are determined under various temperature and heating conditions. The test results show that single crystal sapphire is able to sustain the highest temperature gradient and heating-cooling rate, and thus exhibit the best thermal shock resistance, as compared to the yttria-stabilized zirconia, yttrium aluminum garnet and magnesium oxide.

  6. Strategies to Suppress Cation Vacancies in Metal Oxide Alloys: Consequences for Solar Energy Conversion

    SciTech Connect (OSTI)

    Toroker, Maytal; Carter, Emily A.

    2015-09-01

    First-row transition metal oxides (TMOs) are promising alternative materials for inexpensive and efficient solar energy conversion. However, their conversion efficiency can be deleteriously affected by material imperfections, such as atomic vacancies. In this work, we provide examples showing that in some iron-containing TMOs, iron cation vacancy formation can be suppressed via alloying. We calculate within density functional theory+U theory the iron vacancy formation energy in binary rock-salt oxide alloys that contain iron, manganese, nickel, zinc, and/or magnesium. We demonstrate that formation of iron vacancies is less favorable if we choose to alloy iron(II) oxide with metals that cannot readily accept vacancy-generated holes, e.g., magnesium, manganese, nickel, or zinc. Since there are less available sites for holes and the holes are forced to reside on iron cations, the driving force for iron vacancy formation decreases. These results are consistent with an experiment observing a sharp drop in cation vacancy concentration upon alloying iron(II) oxide with manganese.

  7. Oxide strengthened molybdenum-rhenium alloy

    DOE Patents [OSTI]

    Bianco, Robert (Cleveland, OH); Buckman, Jr., R. William (Pittsburgh, PA)

    2000-01-01

    Provided is a method of making an ODS molybdenum-rhenium alloy which includes the steps of: (a) forming a slurry containing molybdenum oxide and a metal salt dispersed in an aqueous medium, the metal salt being selected from nitrates or acetates of lanthanum, cerium or thorium; (b) heating the slurry in the presence of hydrogen to form a molybdenum powder comprising molybdenum and an oxide of the metal salt; (c) mixing rhenium powder with the molybdenum powder to form a molybdenum-rhenium powder; (d) pressing the molybdenum-rhenium powder to form a molybdenum-rhenium compact; (e) sintering the molybdenum-rhenium compact in hydrogen or under a vacuum to form a molybdenum-rhenium ingot; and (f) compacting the molybdenum-rhenium ingot to reduce the cross-sectional area of the molybdenum-rhenium ingot and form a molybdenum-rhenium alloy containing said metal oxide. The present invention also provides an ODS molybdenum-rhenium alloy made by the method. A preferred Mo--Re-ODS alloy contains 7-14 weight % rhenium and 2-4 volume % lanthanum oxide.

  8. Microstructures and oxidation behavior of some Molybdenum based alloys

    SciTech Connect (OSTI)

    Ray, Pratik Kumar

    2010-12-15

    The advent of Ni based superalloys revolutionized the high temperature alloy industry. These materials are capable of operating in extremely harsh environments, comprising of temperatures around 1050 C, under oxidative conditions. Demands for increased fuel efficiency, however, has highlighted the need for materials that can be used under oxidative conditions at temperatures in excess of 1200 C. The Ni based superalloys are restricted to lower temperatures due to the presence of a number of low melting phases that melt in the 1250 - 1450 C, resulting in softening of the alloys above 1000 C. Therefore, recent research directions have been skewed towards exploring and developing newer alloy systems. This thesis comprises a part of such an effort. Techniques for rapid thermodynamic assessments were developed and applied to two different systems - Mo-Si alloys with transition metal substitutions (and this forms the first part of the thesis) and Ni-Al alloys with added components for providing high temperature strength and ductility. A hierarchical approach towards alloy design indicated the Mo-Ni-Al system as a prospective candidate for high temperature applications. Investigations on microstructures and oxidation behavior, under both isothermal and cyclic conditions, of these alloys constitute the second part of this thesis. It was seen that refractory metal systems show a marked microstructure dependence of oxidation.

  9. A systematic multiscale modeling and experimental approach to protect grain boundaries in magnesium alloys from corrosion

    SciTech Connect (OSTI)

    Horstemeyer, Mark R.; Chaudhuri, Santanu

    2015-09-30

    A multiscale modeling Internal State Variable (ISV) constitutive model was developed that captures the fundamental structure-property relationships. The macroscale ISV model used lower length scale simulations (Butler-Volmer and Electronics Structures results) in order to inform the ISVs at the macroscale. The chemomechanical ISV model was calibrated and validated from experiments with magnesium (Mg) alloys that were investigated under corrosive environments coupled with experimental electrochemical studies. Because the ISV chemomechanical model is physically based, it can be used for other material systems to predict corrosion behavior. As such, others can use the chemomechanical model for analyzing corrosion effects on their designs.

  10. High voltage rechargeable magnesium batteries having a non-aqueous electrolyte

    DOE Patents [OSTI]

    Doe, Robert Ellis; Lane, George Hamilton; Jilek, Robert E.; Hwang, Jaehee

    2016-03-22

    A rechargable magnesium battery having an non-aqueous electrolyte is provided. The properties of the electrolyte include high conductivity, high Coulombic efficiency, and an electrochemical window that can exceed 3.5 V vs. Mg/Mg.sup.+2. The use of the electrolyte promotes the electrochemical deposition and dissolution of Mg without the use of any Grignard reagents, other organometallic materials, tetraphenyl borate, or tetrachloroaluminate derived anions. Other Mg-containing electrolyte systems that are expected to be suitable for use in secondary batteries are also described.

  11. Terrace-like morphology of the boundary created through basal-prismatic transformation in magnesium

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

    Liu, Bo -Yu; Wan, Liang; Wang, Jian; Ma, Evan; Shan, Zhi -Wei

    2015-01-24

    Here, the boundaries created through basal-prismatic transformation in submicron-sized single crystal magnesium have been investigated systematically using in situ transmission electron microscopy. We found that these boundaries not only deviated significantly from the twin plane associated with {101¯2} twin, but also possessed a non-planar morphology. After the sample was thinned to be less than 90 nm, aberration-corrected scanning transmission electron microscopy observation found that the basic components of these boundaries are actually terrace-like basal-prismatic interfaces.

  12. Microstructure investigation of 13Cr-2Mo ODS steel components obtained by high voltage electric discharge compaction technique

    SciTech Connect (OSTI)

    Bogachev, Igor; Yudin, Artem; Grigoryev, Evgeniy; Chernov, Ivan; Staltsov, Maxim; Khasanov, Oleg; Olevsky, Eugene

    2015-11-02

    Refractory oxide dispersion strengthened 13Cr-2Mo steel powder was successfully consolidated to near theoretical density using high voltage electric discharge compaction. Cylindrical samples with relative density from 90% to 97% and dimensions of 10 mm in diameter and 10–15 mm in height were obtained. Consolidation conditions such as pressure and voltage were varied in some ranges to determine the optimal compaction regime. Three different concentrations of yttria were used to identify its effect on the properties of the samples. It is shown that the utilized ultra-rapid consolidation process in combination with high transmitted energy allows obtaining high density compacts, retaining the initial structure with minimal grain growth. The experimental results indicate some heterogeneity of the structure which may occur in the external layers of the tested samples due to various thermal and electromagnetic in-processing effects. As a result, the choice of the optimal parameters of the consolidation enables obtaining samples of acceptable quality.

  13. Wettability of brazing alloys on molybdenum and TZM (Mo-Ti-Zr alloy)

    SciTech Connect (OSTI)

    McDonald, M.M.; Keller, D.L.; Heiple, C.R.; Hofmann, W.E.

    1988-01-01

    Vacuum brazing studies have been performed on molybdenum and TZM (0.5Ti-0.08Zr-Mo). Wettability tests have been conducted for nineteen braze metal filler alloys on molybdenum and thirty-two braze metal filler alloys on TZM over a wide range of temperatures. A wetting index, which is a function of contact angle and braze alloy contact area, was determined for each filler alloy at each brazing temperature. The nature and extent of interaction between the brazing alloys and the base metals was analyzed by conventional metallography, scanning-electron microscopy, and electron microprobe analysis. A comparison is made between the behavior of filler alloys on molybdenum and TZM -- filler alloys consistently exhibited less wettability on TZM than on molybdenum. The lower wettability of TZM is believed to be due to a small amount of titanium in the surface oxide on TZM. Cracking was observed in the base metal under some of the high temperature braze deposits. The cracking is shown to arise from liquid metal embrittlement from nickel in the high temperature braze alloys. 7 refs., 11 figs., 2 tabs.

  14. Bonding between graphene and MoS{sub 2} monolayers without and with Li

    Office of Scientific and Technical Information (OSTI)

    intercalation (Journal Article) | SciTech Connect Journal Article: Bonding between graphene and MoS{sub 2} monolayers without and with Li intercalation Citation Details In-Document Search Title: Bonding between graphene and MoS{sub 2} monolayers without and with Li intercalation We performed density functional theory (DFT) calculations for a bi-layered heterostructure combining a graphene layer with a MoS{sub 2} layer with and without intercalated Li atoms. Our calculations demonstrate the

  15. Characterization of modified 9 Cr-1 Mo steel extruded pipe

    SciTech Connect (OSTI)

    Sikka, V.K.; Hart, M.D.

    1985-04-01

    The fabrication of hot-extruded pipe of modified 9 Cr-1 Mo steel at Cameron Iron Works is described. The report also deals with the tempering response; tensile, Charpy impact, and creep properties; and microstructure of the hot-extruded pipe. The tensile properties of the pipe are compared with the average and average -1.65 standard error of estimate curves for various product forms of several commercial heats of this alloy. The creep-rupture properties are compared with the average curve for various product forms of the commercial heats.

  16. Recovery of Mo/Si multilayer coated optical substrates

    DOE Patents [OSTI]

    Baker, S.L.; Vernon, S.P.; Stearns, D.G.

    1997-12-16

    Mo/Si multilayers are removed from superpolished ZERODUR and fused silica substrates with a dry etching process that, under suitable processing conditions, produces negligible change in either the substrate surface figure or surface roughness. The two step dry etching process removes SiO{sub 2} overlayer with a fluroine-containing gas and then moves molybdenum and silicon multilayers with a chlorine-containing gas. Full recovery of the initial normal incidence extreme ultra-violet (EUV) reflectance response has been demonstrated on reprocessed substrates. 5 figs.

  17. Recovery of Mo/Si multilayer coated optical substrates

    DOE Patents [OSTI]

    Baker, Sherry L.; Vernon, Stephen P.; Stearns, Daniel G.

    1997-12-16

    Mo/Si multilayers are removed from superpolished ZERODUR and fused silica substrates with a dry etching process that, under suitable processing conditions, produces negligible change in either the substrate surface figure or surface roughness. The two step dry etching process removes SiO.sub.2 overlayer with a fluroine-containing gas and then moves molybdenum and silicon multilayers with a chlorine-containing gas. Full recovery of the initial normal incidence extreme ultra-violet (EUV) reflectance response has been demonstrated on reprocessed substrates.

  18. Greenfield Alternative Study LEU-Mo Fuel Fabrication Facility

    SciTech Connect (OSTI)

    Washington Division of URS

    2008-07-01

    This report provides the initial “first look” of the design of the Greenfield Alternative of the Fuel Fabrication Capability (FFC); a facility to be built at a Greenfield DOE National Laboratory site. The FFC is designed to fabricate LEU-Mo monolithic fuel for the 5 US High Performance Research Reactors (HPRRs). This report provides a pre-conceptual design of the site, facility, process and equipment systems of the FFC; along with a preliminary hazards evaluation, risk assessment as well as the ROM cost and schedule estimate.

  19. Synthesis of transition-metal phosphides from oxidic precursors by reduction in hydrogen plasma

    SciTech Connect (OSTI)

    Guan Jie [Department of Catalytic Chemistry and Engineering, State Key Laboratory of Fine Chemicals, Dalian University of Technology, Dalian 116012 (China); Wang Yao [Liaoning Key Laboratory of Petrochemical Technology and Equipments, Dalian University of Technology, Dalian 116012 (China); Qin Minglei; Yang Ying [Department of Catalytic Chemistry and Engineering, State Key Laboratory of Fine Chemicals, Dalian University of Technology, Dalian 116012 (China); Li Xiang [Department of Catalytic Chemistry and Engineering, State Key Laboratory of Fine Chemicals, Dalian University of Technology, Dalian 116012 (China); Liaoning Key Laboratory of Petrochemical Technology and Equipments, Dalian University of Technology, Dalian 116012 (China); Wang Anjie, E-mail: ajwang@dlut.edu.c [Department of Catalytic Chemistry and Engineering, State Key Laboratory of Fine Chemicals, Dalian University of Technology, Dalian 116012 (China); Liaoning Key Laboratory of Petrochemical Technology and Equipments, Dalian University of Technology, Dalian 116012 (China)

    2009-06-15

    A series of transition metal phosphides, including MoP, WP, CoP, Co{sub 2}P, and Ni{sub 2}P, were synthesized from their oxidic precursors by means of hydrogen plasma reduction under mild conditions. The effects of reduction conditions, such as metal to phosphorus molar ratio, power input, and reduction time, on the synthesis of metal phosphides were investigated. The products were identified by means of XRD characterization. It is indicated that metal phosphides were readily synthesized stoichiometrically from their oxides in hydrogen plasma under mild conditions. - Graphical abstract: Metal phosphides were obtained stoichiometrically from their oxidic precursors by hydrogen plasma reaction under mild conditions.

  20. Synthesis of molybdenum disulfide (MoS{sub 2}) for lithium ion battery applications

    SciTech Connect (OSTI)

    Feng Chuanqi; Ma Jun; Li Hua; Zeng Rong; Guo Zaiping; Liu Huakun

    2009-09-15

    This paper reports the use of a rheological phase reaction method for preparing MoS{sub 2} nanoflakes. The characterization by powder X-ray diffraction indicated that MoS{sub 2} had been formed. High resolution electron microscopy observation revealed that the as-prepared MoS{sub 2} nanoflakes had started to curve and partly form MoS{sub 2} nanotubes. The lithium intercalation/de-intercalation behavior of as-prepared MoS{sub 2} nanoflake electrode was also investigated. It was found that the MoS{sub 2} nanoflake electrode exhibited higher specific capacity, with very high cycling stability, compared to MoS{sub 2} nanoparticle electrode. The possible reasons for the high electrochemical performance of the nanoflakes electrodes are also discussed. The outstanding electrochemical properties of MoS{sub 2} nanoflakes obtained by this method make it possible for MoS{sub 2} to be used as a promising anode material.

  1. Solution-based thermodynamic modeling of the Ni-Al-Mo system using

    Office of Scientific and Technical Information (OSTI)

    first-principles calculations (Journal Article) | SciTech Connect Solution-based thermodynamic modeling of the Ni-Al-Mo system using first-principles calculations Citation Details In-Document Search Title: Solution-based thermodynamic modeling of the Ni-Al-Mo system using first-principles calculations A solution-based thermodynamic description of the ternary Ni-Al-Mo system is developed here, incorporating first-principles calculations and reported modeling of the binary Ni-Al, Ni-Mo and

  2. Improving Accident Tolerance of Nuclear Fuel with Coated Mo-alloy...

    Office of Scientific and Technical Information (OSTI)

    Improving Accident Tolerance of Nuclear Fuel with Coated Mo-alloy Cladding Citation Details In-Document Search Title: Improving Accident Tolerance of Nuclear Fuel with Coated ...

  3. Experimental activities supporting commercial U.S. accelerator production of 99-Mo

    SciTech Connect (OSTI)

    Dale, Gregory E [Los Alamos National Laboratory; Chemerisov, Sergey D [ANL; Vandegrift, George F [ANL

    2010-01-01

    {sup 99m}Tc, the daughter product of {sup 99}Mo, is the most commonly used radioisotope for nuclear medicine in the U.S. Experiments are being performed at Los Alamos National Laboratory and Argonne National Laboratory to demonstrate production of {sup 99}Mo using accelerators. The {sup 100}Mo({gamma},n){sup 99}Mo reaction in an enriched {sup 100}Mo target is currently under investigation. Three scaled low-power production experiments using a 20-MeV electron linac at Argonne have been performed to date. Two of these experiments used natural Mo targets and produced a total of 613 {mu}C of {sup 99}Mo. The third experiment used an enriched {sup 100}Mo target and produced 10.5 mCi of {sup 99}Mo. Following irradiation the targets were dissolved and the low specific activity solution was processed through an ARSII generator from NorthStar Medical Radioisotopes. Yields of {sup 99m}Tc >95% have been observed.

  4. Conceptual design of a new homogeneous reactor for medical radioisotope Mo-99/Tc-99m production

    SciTech Connect (OSTI)

    Liem, Peng Hong [Nippon Advanced Information Service (NAIS Co., Inc.) Scientific Computational Division, 416 Muramatsu, Tokaimura, Ibaraki (Japan); Tran, Hoai Nam [Chalmers University of Technology, Dept. of Applied Physics, Div. of Nuclear Engineering, SE-412 96 Gothenburg (Sweden); Sembiring, Tagor Malem [National Nuclear Energy Agency (BATAN), Center for Reactor Technology and Nuclear Safety, Kawasan Puspiptek, Serpong, Tangerang Selatan, Banten (Indonesia); Arbie, Bakri [PT MOTAB Technology, Kedoya Elok Plaza Blok DA 12, Jl. Panjang, Kebun Jeruk, Jakarta Barat (Indonesia)

    2014-09-30

    To partly solve the global and regional shortages of Mo-99 supply, a conceptual design of a nitrate-fuel-solution based homogeneous reactor dedicated for Mo-99/Tc-99m medical radioisotope production is proposed. The modified LEU Cintichem process for Mo-99 extraction which has been licensed and demonstrated commercially for decades by BATAN is taken into account as a key design consideration. The design characteristics and main parameters are identified and the advantageous aspects are shown by comparing with the BATAN's existing Mo-99 supply chain which uses a heterogeneous reactor (RSG GAS multipurpose reactor)

  5. Microsoft Word - chapter FeNiCrMo_ver4.doc

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

    Low-Alloy Ferritic Steels Fe-Ni-Cr-Mo Tempered December 8, ... strength level, material processing, and heat treatment 1. ... steel composition, hydrogen gas pressure, and temperature. ...

  6. Domestic production of medical isotope Mo-99 moves a step closer

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

    partners, including Morgridge Institute for Research-SHINE Medical Technologies (MIR-SHINE), which proposes to use a particle accelerator to produce Mo-99 from a mildly...

  7. Acquisition Guide Chapter 7.3:Acquisition Planning in the M&O Environment

    Broader source: Energy.gov [DOE]

    Acquisition Letter 2013-03, Acquisition Planning Considerations for M&O Contracts, has been moved to the Acquisition Guide as chapter (7.3).

  8. Manufacture of gradient micro-structures of magnesium alloys using two stage extrusion dies

    SciTech Connect (OSTI)

    Hwang, Yeong-Maw; Huang, Tze-Hui [Department of Mechanical and Electro-Mechanical Engineering, National Sun Yat-Sen University, No. 70, Lien-Hai Rd., Kaohsiung, 804, Taiwan (China); Alexandrov, Sergei [Institute for Problems in Mechanics, Russian Academy of Sciences, Moscow (Russian Federation); Naimark, Oleg Borisovich [Institute of Continuous Media Mechanics, Russian Academy of Sciences, Perm (Russian Federation); Jeng, Yeau-Ren [Department of Mechanical Engineering and Advanced Institute of Manufacturing with High-tech Innovations, National Chung Cheng University, Ming-Hsiung, Chia-Yi 621, Taiwan (China)

    2013-12-16

    This paper aims to manufacture magnesium alloy metals with gradient micro-structures using hot extrusion process. The extrusion die was designed to have a straight channel part combined with a conical part. Materials pushed through this specially-designed die generate a non-uniform velocity distribution at cross sections inside the die and result in different strain and strain rate distributions. Accordingly, a gradient microstructure product can be obtained. Using the finite element analysis, the forming temperature, effective strain, and effective strain rate distributions at the die exit were firstly discussed for various inclination angles in the conical die. Then, hot extrusion experiments with a two stage die were conducted to obtain magnesium alloy products with gradient micro-structures. The effects of the inclination angle on the grain size distribution at cross sections of the products were also discussed. Using a die of an inclination angle of 15, gradient micro-structures of the grain size decreasing gradually from 17 ?m at the center to 4 ?m at the edge of product were achieved.

  9. 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.

  10. Synthesis, deposition and characterization of magnesium hydroxide nanostructures on zeolite 4A

    SciTech Connect (OSTI)

    Koh, Pei-Yoong; Yan, Jing; Ward, Jason; Koros, William J.; Teja, Amyn S.; Xu, Bo

    2011-03-15

    Research highlights: {yields} Reports a simple precipitation-growth method to produce nanostructures of Mg(OH){sub 2} on the surface of zeolite 4A. {yields} Able to control the growth of the nanostructures by manipulating the experimental procedure. {yields} Able to deposit Mg(OH){sub 2} onto specific sites namely bridging hydroxyl protons (SiOHAl) on the surface of zeolite 4A. -- Abstract: The precipitation and self-assembly of magnesium hydroxide Mg(OH){sub 2} nanopetals on dispersed zeolite 4A particles was investigated. Mg(OH){sub 2}/zeolite nanocomposites were produced from magnesium chloride solutions and characterized via X-ray powder diffraction (XRD), thermogravimetric analysis (TGA), scanning electron microscopy (SEM), Fourier transform infrared analysis (FTIR), and solid state NMR. It was determined that Mg(OH){sub 2} interacted with bridging hydroxyl protons (SiOHAl) on the zeolite surface, but not with silanol or aluminol groups. NMR analysis showed that 13% of the tetrahedral Al sites on the zeolite were converted to octahedral Al. The zeolite structure and crystallinity remained intact after treatment, and no dealumination reactions were detected. This suggests that the deposition-precipitation process at ambient conditions is a facile method for controlling Mg(OH){sub 2} nanostructures on zeolites.

  11. Propane ammoxidation over the Mo-V-Te-Nb-O M1 phase: Reactivity of surface cations in hydrogen abstraction steps

    SciTech Connect (OSTI)

    Muthukumar, Kaliappan; Yu, Junjun; Xu, Ye; Guliants, Vadim V.

    2011-01-01

    Density functional theory calculations (GGA-PBE) have been performed to investigate the adsorption of C3 (propane, isopropyl, propene, and allyl) and H species on the proposed active center present in the surface ab planes of the bulk Mo-V-Te-Nb-O M1 phase in order to better understand the roles of the different surface cations in propane ammoxidation. Modified cluster models were employed to isolate the closely spaced V=O and Te=O from each other and to vary the oxidation state of the V cation. While propane and propene adsorb with nearly zero adsorption energy, the isopropyl and allyl radicals bind strongly to V=O and Te=O with adsorption energies, {Delta}E, being {le} -1.75 eV, but appreciably more weakly on other sites, such as Mo=O, bridging oxygen (Mo-O-V and Mo-O-Mo), and empty metal apical sites ({Delta}E > -1 eV). Atomic H binds more strongly to Te = O ({Delta}E {le} -3 eV) than to all the other sites, including V = O ({Delta}E = -2.59 eV). The reduction of surface oxo groups by dissociated H and their removal as water are thermodynamically favorable except when both H atoms are bonded to the same Te=O. Consistent with the strong binding of H, Te=O is markedly more active at abstracting the methylene H from propane (E{sub a} {le} 1.01 eV) than V = O (E{sub a} = 1.70 eV on V{sup 5+} = O and 2.13 eV on V{sup 4+} = O). The higher-than-observed activity and the loose binding of Te = O moieties to the mixed metal oxide lattice of M1 raise the question of whether active Te = O groups are in fact present in the surface ab planes of the M1 phase under propane ammoxidation conditions.

  12. Characterization of U-Mo Foils for AFIP-7

    SciTech Connect (OSTI)

    Edwards, Danny J.; Ermi, Ruby M.; Schemer-Kohrn, Alan L.; Overman, Nicole R.; Henager, Charles H.; Burkes, Douglas; Senor, David J.

    2012-11-07

    Twelve AFIP in-process foil samples, fabricated by either Y-12 or LANL, were shipped from LANL to PNNL for potential characterization using optical and scanning electron microscopy techniques. Of these twelve, nine different conditions were examined to one degree or another using both techniques. For this report a complete description of the results are provided for one archive foil from each source of material, and one unirradiated piece of a foil of each source that was irradiated in the Advanced Test Reactor. Additional data from two other LANL conditions are summarized in very brief form in an appendix. The characterization revealed that all four characterized conditions contained a cold worked microstructure to different degrees. The Y-12 foils exhibited a higher degree of cold working compared to the LANL foils, as evidenced by the highly elongated and obscure U-Mo grain structure present in each foil. The longitudinal orientations for both of the Y-12 foils possesses a highly laminar appearance with such a distorted grain structure that it was very difficult to even offer a range of grain sizes. The U-Mo grain structure of the LANL foils, by comparison, consisted of a more easily discernible grain structure with a mix of equiaxed and elongated grains. Both materials have an inhomogenous grain structure in that all of the characterized foils possess abnormally coarse grains.

  13. Catalytic production of metal carbonyls from metal oxides

    DOE Patents [OSTI]

    Sapienza, Richard S.; Slegeir, William A.; Foran, Michael T.

    1984-01-01

    This invention relates to the formation of metal carbonyls from metal oxides and specially the formation of molybdenum carbonyl and iron carbonyl from their respective oxides. Copper is used here in admixed form or used in chemically combined form as copper molybdate. The copper/metal oxide combination or combined copper is utilized with a solvent, such as toluene and subjected to carbon monoxide pressure of 25 atmospheres or greater at about 150.degree.-260.degree. C. The reducing metal copper is employed in catalytic concentrations or combined concentrations as CuMoO.sub.4 and both hydrogen and water present serve as promoters. It has been found that the yields by this process have been salutary and that additionally the catalytic metal may be reused in the process to good effect.

  14. Catalytic production of metal carbonyls from metal oxides

    DOE Patents [OSTI]

    Sapienza, R.S.; Slegeir, W.A.; Foran, M.T.

    1984-01-06

    This invention relates to the formation of metal carbonyls from metal oxides and specially the formation of molybdenum carbonyl and iron carbonyl from their respective oxides. Copper is used here in admixed form or used in chemically combined form as copper molybdate. The copper/metal oxide combination or combined copper is utilized with a solvent, such as toluene and subjected to carbon monoxide pressure of 25 atmospheres or greater at about 150 to 260/sup 0/C. The reducing metal copper is employed in catalytic concentrations or combined concentrations as CuMoO/sub 4/ and both hydrogen and water present serve as promoters. It has been found that the yields by this process have been salutary and that additionally the catalytic metal may be reused in the process to good effect. 3 tables.

  15. Oxidation, carburization and/or sulfidation resistant iron aluminide alloy

    DOE Patents [OSTI]

    Sikka, Vinod K.; Deevi, Seetharama C.; Fleischhauer, Grier S.; Hajaligol, Mohammad R.; Lilly, Jr., A. Clifton

    2003-08-19

    The invention relates generally to aluminum containing iron-base alloys useful as electrical resistance heating elements. The aluminum containing iron-base alloys have improved room temperature ductility, electrical resistivity, cyclic fatigue resistance, high temperature oxidation resistance, low and high temperature strength, and/or resistance to high temperature sagging. The alloy has an entirely ferritic microstructure which is free of austenite and includes, in weight %, over 4% Al, .ltoreq.1% Cr and either .gtoreq.0.05% Zr or Zro.sub.2 stringers extending perpendicular to an exposed surface of the heating element or .gtoreq.0.1% oxide dispersoid particles. The alloy can contain 14-32% Al, .ltoreq.2% Ti, .ltoreq.2% Mo, .ltoreq.1% Zr, .ltoreq.1% C, .ltoreq.0.1% B. .ltoreq.30% oxide dispersoid and/or electrically insulating or electrically conductive covalent ceramic particles, .ltoreq.1% rare earth metal, .ltoreq.1% oxygen, .ltoreq.3% Cu, balance Fe.

  16. Lithium metal oxide electrodes for lithium cells and batteries

    DOE Patents [OSTI]

    Thackeray, Michael M.; Johnson, Christopher S.; Amine, Khalil

    2008-12-23

    A lithium metal oxide positive electrode for a non-aqueous lithium cell is disclosed. The cell is prepared in its initial discharged state and has a general formula xLiMO.sub.2.(1-x)Li.sub.2M'O.sub.3 in which 0oxidation state and with at least one ion being Mn or Ni, and where M' is one or more ion with an average tetravalent oxidation state. Complete cells or batteries are disclosed with anode, cathode and electrolyte as are batteries of several cells connected in parallel or series or both.

  17. Lithium Metal Oxide Electrodes For Lithium Cells And Batteries

    DOE Patents [OSTI]

    Thackeray, Michael M.; Johnson, Christopher S.; Amine, Khalil; Kim, Jaekook

    2004-01-20

    A lithium metal oxide positive electrode for a non-aqueous lithium cell is disclosed. The cell is prepared in its initial discharged state and has a general formula xLiMO.sub.2.(1-x)Li.sub.2 M'O.sub.3 in which 0oxidation state and with at least one ion being Mn or Ni, and where M' is one or more ion with an average tetravalent oxidation state. Complete cells or batteries are disclosed with anode, cathode and electrolyte as are batteries of several cells connected in parallel or series or both.

  18. lithium cobalt oxide cathode

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

    lithium cobalt oxide cathode - Sandia Energy Energy Search Icon Sandia Home Locations ... SunShot Grand Challenge: Regional Test Centers lithium cobalt oxide cathode Home...

  19. Magnesium Projects

    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.

  20. Porous acicular mullite obtained by controlled oxidation of waste molybdenum disilicide

    SciTech Connect (OSTI)

    Bučevac, Dušan; Dapčević, Aleksandra; Maksimović, Vesna

    2014-02-01

    Highlights: • Waste MoSi{sub 2} heating elements were used as starting material for fabrication of porous acicular mullite. • Calcined MoSi{sub 2} powder was source of SiO{sub 2} and pore former at the same time. • Porous acicular mullite is promising material for filtration of diesel engine exhaust. • Samples with decent mechanical integrity and porosity of more than 60% were fabricated. - Abstract: Porous acicular mullite was fabricated by using waste MoSi{sub 2} heating element and Al{sub 2}O{sub 3}. Careful calcination of the pulverized heating element led to the formation of a mixture of MoO{sub 3} and amorphous SiO{sub 2}. This mixture was employed as both SiO{sub 2} precursor and pore former. The oxidation of MoSi{sub 2} and mullite formation were studied. The effect of fabrication temperature on phase composition, porosity, grain morphology, and compressive strength of sintered mullite was examined. Pure mullite with porosity of more than 60% and compressive strength of ∼20 MPa was obtained at temperature as low as 1300 °C. The microstructure consisted of elongated, rectangular, prism-like grains which are known to be effective in filtration of diesel engine exhaust. The increase in sintering temperature caused the change of grain morphology and reduction in compressive strength.

  1. Synthesis and characterization of model MgO supported catalyst with Pt-Mo interactions.

    SciTech Connect (OSTI)

    Alexeev, O.; Kawi, S.; Gates, B.C. [Univ. of California, Davis, CA (United States)] [Univ. of California, Davis, CA (United States); Shelef, M. [Ford Motor Co., Dearborn, MI (United States)] [Ford Motor Co., Dearborn, MI (United States)

    1996-01-04

    MgO supported platinum and platinum-molybdenum catalysts were prepared from organometallic precursors and charaterized structurally to determine how the nature of the bimetallic precursors and the treatment conditions affected the interaction between the two metals. Samples were prepared from [PtCl{sub 2}(PhCN){sub 2}], [PtCl{sub 2}(PhCN){sub 2}] + [Mo(CO){sub 6}], and [C@Pt[Mo(CO){sub 3}(C{sub 5}H{sub 5})]{sub 2}(PhCN){sub 2}] BC@ characterized by infrared and extended X-ray absorption fine structure (EXAFS) spectroscopies, tranmission electron microscopy, and chemisorption of H{sub 2}, CO, and O{sub 2}. The samples were treated in H{sub 2} at 400{degree}C prior to most of the characterizatons. Incorporation of Mo reduced the chemisorption of CO and of H{sub 2}. EXAFS spectra measured at the Pt L{sub III} edge and at the Mo K edge showed substantial Pt-Mo contributions with a Pt-Mo cordination number of about 2 and an average distance of 2.63 A for the sample prepared from [C@Pt[Mo(CO){sub 3}(C{sub 5}H{sub 5})]{sub 2}(PhCN){sub 2}] BC@. In constract, no significant Pt-Mo contribution was observed for the sample prepared from [PtCl{sub 2}(PhCN){sub 2}]+ [Mo(CO){sub 6}]. Electron micrographs and EXAFS results show that interaction between Pt and Mo ions in the former sample helped to maintain the platinum in a highly dispersed form, with supported platinum clusters being smaller than about 10 A. 53 refs., 9 figs., 9 tabs.

  2. Photo-oxidation catalysts

    DOE Patents [OSTI]

    Pitts, J. Roland; Liu, Ping; Smith, R. Davis

    2009-07-14

    Photo-oxidation catalysts and methods for cleaning a metal-based catalyst are disclosed. An exemplary catalyst system implementing a photo-oxidation catalyst may comprise a metal-based catalyst, and a photo-oxidation catalyst for cleaning the metal-based catalyst in the presence of light. The exposure to light enables the photo-oxidation catalyst to substantially oxidize absorbed contaminants and reduce accumulation of the contaminants on the metal-based catalyst. Applications are also disclosed.

  3. Analysis of the potential for new automotive uses of wrought magnesium

    SciTech Connect (OSTI)

    Gaines, L.; Cuenca, R.; Wu, S.; Stodolsky, F.

    1996-02-01

    The Center for Transportation Research at Argonne National Laboratory has performed a study for the Lightweight Materials Program within the US Department of Energy`s Office of Transportation Materials to evaluate the suitability of wrought magnesium and its alloys to replace steel or aluminum for automotive structural and sheet applications. Vehicle weight reduction is one of the major means available for improving automotive fuel efficiency. Although high-strength steels, Al, and polymers are already being used to achieve significant weight reductions, substantial additional weight reductions could be achieved by increased use of Mg (whose density is less than one-fourth that of steel and only two-thirds that of Al). This study shows that Mg sheet could be used in automotive body nonstructural and semistructural applications, whereas extrusions could be used in such structural applications as spaceframes. The primary barrier to such uses of wrought Mg is high cost.

  4. Tension-compression-tension tertiary twins in coarse-grained polycrystalline pure magnesium at room temperature

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

    Yu, Qin; Jiang, Yanyao; Wang, Jian

    2015-04-07

    Using electron backscatter diffraction, the microstructural features of tension–compression–tension (T–C–T) tertiary twins are studied in coarse-grained pure polycrystalline magnesium subjected to monotonic compression along the extrusion direction in ambient air. T–C–T tertiary twins are developed due to the formation of a compression–tension double twin inside a primary tension twin. All the observed T–C–T twin variants are of TiCjTj type. TiCi+1Ti+1 (or TiCi–1Ti–1) variants are observed more frequently than TiCi+2Ti+2 (or TiCi–2Ti–2) variants. Moreover, the number of tertiary twin lamellae increases with the applied compressive strain.

  5. Lithium metal oxide electrodes for lithium cells and batteries

    DOE Patents [OSTI]

    Thackeray, Michael M.; Johnson, Christopher S.; Amine, Khalil; Kim, Jaekook

    2004-01-13

    A lithium metal oxide positive electrode for a non-aqueous lithium cell is disclosed. The cell is prepared in its initial discharged state and has a general formula xLiMO.sub.2.(1-x)Li.sub.2 M'O.sub.3 in which 0

  6. Long-Term Oxidation of Candidate Cast Iron and Advanced Austenitic Stainless Steel Exhaust System Alloys from 650-800 C in Air with Water Vapor

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

    Brady, Michael P; Muralidharan, Govindarajan; Leonard, Donovan N; Haynes, James A

    2014-01-01

    The oxidation behavior of SiMo cast iron, Ni-resist D5S cast iron, cast chromia-forming austenitic stainless steels of varying Cr/Ni content based on CF8C plus, HK, and HP, and a developmental cast alumina-forming austenitic (AFA) stainless steel of interest for diesel exhaust system components were studied for up to 5000 h at 650-800 C in air with 10% H2O. At 650 C, the Ni-resist D5S exhibited moderately better oxidation resistance than did the SiMo cast iron. However, the D5S suffered from oxide scale spallation issues at 700 C and higher, whereas the oxide scales formed on SiMo cast iron remained adherentmore » from 700-800 C despite oxide scales hundreds of microns thick. The oxidation of the SiMo cast iron exhibited unusual temperature dependence, with periods of slower oxidation kinetics at 750-800 C compared to 650-700 C due to continuous silica-rich scale formation at the higher temperatures. The oxidation of the cast chromia-forming austenitics trended with the level of Cr and Ni additions, with small mass losses consistent with Cr oxy-hydroxide volatilization processes for the higher 25Cr/25-35Ni HK and HP type alloys, and transition to rapid Fe-base oxide formation and scale spallation in the lower 19Cr/12Ni CF8C plus type alloy. In contrast, small positive mass changes consistent with protective alumina scale formation were observed for the cast AFA alloy under all conditions studied. Implications of these findings for diesel exhaust system components are discussed.« less

  7. Long-Term Oxidation of Candidate Cast Iron and Advanced Austenitic Stainless Steel Exhaust System Alloys from 650-800 C in Air with Water Vapor

    SciTech Connect (OSTI)

    Brady, Michael P; Muralidharan, Govindarajan; Leonard, Donovan N; Haynes, James A

    2014-01-01

    The oxidation behavior of SiMo cast iron, Ni-resist D5S cast iron, cast chromia-forming austenitic stainless steels of varying Cr/Ni content based on CF8C plus, HK, and HP, and a developmental cast alumina-forming austenitic (AFA) stainless steel of interest for diesel exhaust system components were studied for up to 5000 h at 650-800 C in air with 10% H2O. At 650 C, the Ni-resist D5S exhibited moderately better oxidation resistance than did the SiMo cast iron. However, the D5S suffered from oxide scale spallation issues at 700 C and higher, whereas the oxide scales formed on SiMo cast iron remained adherent from 700-800 C despite oxide scales hundreds of microns thick. The oxidation of the SiMo cast iron exhibited unusual temperature dependence, with periods of slower oxidation kinetics at 750-800 C compared to 650-700 C due to continuous silica-rich scale formation at the higher temperatures. The oxidation of the cast chromia-forming austenitics trended with the level of Cr and Ni additions, with small mass losses consistent with Cr oxy-hydroxide volatilization processes for the higher 25Cr/25-35Ni HK and HP type alloys, and transition to rapid Fe-base oxide formation and scale spallation in the lower 19Cr/12Ni CF8C plus type alloy. In contrast, small positive mass changes consistent with protective alumina scale formation were observed for the cast AFA alloy under all conditions studied. Implications of these findings for diesel exhaust system components are discussed.

  8. Nano-Scale Fission Product Phases in an Irradiated U-7Mo Alloy Nuclear Fuel

    SciTech Connect (OSTI)

    Dennis Keiser, Jr.; Brandon Miller; James Madden; Jan-Fong Jue; Jian Gan

    2014-09-01

    Irradiated nuclear fuel is a very difficult material to characterize. Due to the large radiation fields associated with these materials, they are hard to handle and typically have to be contained in large hot cells. Even the equipment used for performing characterization is housed in hot cells or shielded glove boxes. The result is not only a limitation in the techniques that can be employed for characterization, but also a limitation in the size of features that can be resolved The most standard characterization techniques include light optical metallography (WM), scanning electron microscopy (SEM), and electron probe microanalysis (EPMA). These techniques are applied to samples that are typically prepared using grinding and polishing approaches that will always generate some mechanical damage on the sample surface. As a result, when performing SEM analysis, for example, the analysis is limited by the quality of the sample surface that can be prepared. However, a new approach for characterizing irradiated nuclear fuel has recently been developed at the Idaho National Laboratory (INL) in Idaho Falls, Idaho. It allows for a dramatic improvement in the quality of characterization that can be performed when using an instrument like an SEM. This new approach uses a dual-beam scanning microscope, where one of the beams isa focused ion beam (FIB), which can be used to generate specimens of irradiated fuel (-10m x 10m) for microstructural characterization, and the other beam is the electron beam of an SEM. One significant benefit of this approach is that the specimen surface being characterized has received much less damage (and smearing) than is caused by the more traditional approaches, which enables the imaging of nanometer sized microstructural features in the SEM. The process details are for an irradiated low-enriched uranium (LEU) U-Mo alloy fuel Another type of irradiated fuel that has been characterized using this technique is a mixed oxide fuel.

  9. Surface Structures of Cubo-octahedral Pt-Mo Catalyst Nanoparticles from Monte Carlo Simulations

    SciTech Connect (OSTI)

    Wang, Guofeng; Van Hove, M.A.; Ross, P.N.; Baskes, M.I.

    2005-03-31

    The surface structures of cubo-octahedral Pt-Mo nanoparticles have been investigated using the Monte Carlo method and modified embedded atom method potentials that we developed for Pt-Mo alloys. The cubo-octahedral Pt-Mo nanoparticles are constructed with disordered fcc configurations, with sizes from 2.5 to 5.0 nm, and with Pt concentrations from 60 to 90 at. percent. The equilibrium Pt-Mo nanoparticle configurations were generated through Monte Carlo simulations allowing both atomic displacements and element exchanges at 600 K. We predict that the Pt atoms weakly segregate to the surfaces of such nanoparticles. The Pt concentrations in the surface are calculated to be 5 to 14 at. percent higher than the Pt concentrations of the nanoparticles. Moreover, the Pt atoms preferentially segregate to the facet sites of the surface, while the Pt and Mo atoms tend to alternate along the edges and vertices of these nanoparticles. We found that decreasing the size or increasing the Pt concentration leads to higher Pt concentrations but fewer Pt-Mo pairs in the Pt-Mo nanoparticle surfaces.

  10. Conceptual designs for the AT-400MO package

    SciTech Connect (OSTI)

    Fischer, L.E.; Hafner, R.F.; Hovingh, J.; Keeton, S.C.; Russell, E.W.; Lemmings, J.

    1997-01-01

    Currently, Pantex handles and stores weapons pits in AT-400A packages. The Department of Energy currently plans to oversee the conversion of weapon pits into plutonium metal or oxide. These products will then be stored, and perhaps transported at a later time, to other DOE sites. If DOE assigns the pit conversion process to Pantex, it makes sense to store the resulting Pu metal or oxide at Pantex, utilizing existing facilities, equipment, processes, and personnel. The four conceptual designs presented herein substitute the current AT-400A containment vessel, designed for weapon pits, with a vessel designed to store and/or ship Pu metal or oxides. These new designs utilize the existing AT-400A overpack system consisting of the drum assembly and radial impact limiters and likewise employ existing AT-400A production operations.

  11. Phase Discrimination through Oxidant Selection for Iron Oxide...

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

    Phase Discrimination through Oxidant Selection for Iron Oxide Ultrathin Films Home > Research > ANSER Research Highlights > Phase Discrimination through Oxidant Selection for Iron...

  12. Spectroscopic signatures of AA' and AB stacking of chemical vapor deposited bilayer MoS2

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

    Xia, Ming; Li, Bo; Yin, Kuibo; Capellini, Giovanni; Niu, Gang; Gong, Yongji; Zhou, Wu; Ajayan, Pulickel M.; Xie, Ya -Hong

    2015-11-04

    We discuss prominent resonance Raman and photoluminescence spectroscopic differences between AA'and AB stacked bilayer molybdenum disulfide (MoS2) grown by chemical vapor deposition are reported. Bilayer MoS2 islands consisting of the two stacking orders were obtained under identical growth conditions. Also, resonance Raman and photoluminescence spectra of AA' and AB stacked bilayer MoS2 were obtained on Au nanopyramid surfaces under strong plasmon resonance. Both resonance Raman and photoluminescence spectra show distinct features indicating clear differences in interlayer interaction between these two phases. The implication of these findings on device applications based on spin and valley degrees of freedom.

  13. New Insights Into a Functioning Mg-ion Cathode-Chevrel Phase Mo6S8 -

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

    Joint Center for Energy Storage Research April 24, 2014, Research Highlights New Insights Into a Functioning Mg-ion Cathode-Chevrel Phase Mo6S8 An isosurface of the charge density difference between pristine Mo6S8 and the inclusion of a single Mg2+ intercalant (and accompanying 2 electrons). Colors: Yellow (cyan) indicates an increase (decrease) in electron density, the Mg atom is shown in orange, S yellow, Mo purple. Scientific Achievement First-principles analysis of the screening of Mg2+

  14. Mixed Acid Oxidation

    SciTech Connect (OSTI)

    Pierce, R.A.

    1999-10-26

    Several non-thermal processes have been developed to destroy organic waste compounds using chemicals with high oxidation potentials. These efforts have focused on developing technologies that work at low temperatures, relative to incineration, to overcome many of the regulatory issues associated with obtaining permits for waste incinerators. One such technique with great flexibility is mixed acid oxidation. Mixed acid oxidation, developed at the Savannah River Site, uses a mixture of an oxidant (nitric acid) and a carrier acid (phosphoric acid). The carrier acid acts as a non-volatile holding medium for the somewhat volatile oxidant. The combination of acids allows appreciable amounts of the concentrated oxidant to remain in the carrier acid well above the oxidant''s normal boiling point.

  15. Abnormal macropore formation during double-sided gas tungsten arc welding of magnesium AZ91D alloy

    SciTech Connect (OSTI)

    Shen Jun You Guoqiang; Long Siyuan; Pan Fusheng

    2008-08-15

    One of the major concerns during gas tungsten arc (GTA) welding of cast magnesium alloys is the presence of large macroporosity in weldments, normally thought to occur from the presence of gas in the castings. In this study, a double-sided GTA welding process was adopted to join wrought magnesium AZ91D alloy plates. Micropores were formed in the weld zone of the first side that was welded, due to precipitation of H{sub 2} as the mushy zone freezes. When the reverse side was welded, the heat generated caused the mushy zone in the initial weld to reform. The micropores in the initial weld then coalesced and expanded to form macropores by means of gas expansion through small holes that are present at the grain boundaries in the partially melted zone. Macropores in the partially melted zone increase with increased heat input, so that when a filler metal is used the macropores are smaller in number and in size.

  16. Electrochemical Testing of Ni-Cr-Mo-Gd Alloys

    SciTech Connect (OSTI)

    T. E. Lister; R. E. Mizia; H. Tian

    2005-10-01

    The waste package site recommendation design specified a boron-containing stainless steel, Neutronit 976/978, for fabrication of the internal baskets that will be used as a corrosion-resistant neutron-absorbing material. Recent corrosion test results gave higher-than-expected corrosion rates for this material. The material callout for these components has been changed to a Ni-Cr-Mo-Gd alloy (ASTM-B 932-04, UNS N06464) that is being developed at the Idaho National Laboratory. This report discusses the results of initial corrosion testing of this material in simulated in-package environments that could contact the fuel baskets after breach of the waste package outer barrier. The corrosion test matrix was executed using the potentiodynamic and potentiostatic electrochemical test techniques. The alloy performance shows low rates of general corrosion after initial removal of a gadolinium-rich second phase that intersects the surface. The high halide-containing test solutions exhibited greater tendencies toward initiation of crevice corrosion.

  17. Thermo-physical Properties of DU-10 wt.% Mo Alloys

    SciTech Connect (OSTI)

    Douglas E. Burkes; Cynthia A. Papesch; Andrew P. Maddison; Thomas Hartmann; Francine J. Rice

    2010-08-01

    Low-enriched uranium alloyed with 10 wt% molybdenum is under consideration by the Global Threat Reduction Initiative reactor convert program as a very high density fuel to enable the conversion of high-performance research reactors away from highly-enriched uranium fuels. As with any fuel development program, the thermophysical properties of the fuel as a function of temperature are extremely important and must be well characterized in order to effectively model and predict fuel behavior under normal and off-normal irradiation conditions. For the alloy system under investigation, there is a lack of thermophysical property data, and in most cases, the data is relatively inconsistent and lacks sufficient explanation. Available literature on this alloy system comes mainly from studies done during the 1960s and 1970s, and often does not include sufficient information on fabrication history or conditions to draw conclusions for the current application. The current paper has investigated specific heat capacity, coefficient of linear thermal expansion, density, and thermal diffusivity that were then used to calculate alloy thermal conductivity as a function of temperature. The data obtained from this investigation was compared to available literature on similar U-Mo alloys, and in most cases are in good agreement.

  18. Growth control of the oxidation state in vanadium oxide thin...

    Office of Scientific and Technical Information (OSTI)

    Growth control of the oxidation state in vanadium oxide thin films Citation Details In-Document Search Title: Growth control of the oxidation state in vanadium oxide thin films ...

  19. Phase Discrimination through Oxidant Selection for Iron Oxide Ultrathin

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

    Films | ANSER Center | Argonne-Northwestern National Laboratory Phase Discrimination through Oxidant Selection for Iron Oxide Ultrathin Films Home > Research > ANSER Research Highlights > Phase Discrimination through Oxidant Selection for Iron Oxide Ultrathin Films

  20. Microscopic origin of low frequency noise in MoS{sub 2} field-effect transistors

    SciTech Connect (OSTI)

    Ghatak, Subhamoy; Jain, Manish; Ghosh, Arindam; Mukherjee, Sumanta; Sarma, D. D.

    2014-09-01

    We report measurement of low frequency 1/f noise in molybdenum di-sulphide (MoS{sub 2}) field-effect transistors in multiple device configurations including MoS{sub 2} on silicon dioxide as well as MoS{sub 2}-hexagonal boron nitride (hBN) heterostructures. All as-fabricated devices show similar magnitude of noise with number fluctuation as the dominant mechanism at high temperatures and density, although the calculated density of traps is two orders of magnitude higher than that at the SiO{sub 2} interface. Measurements on the heterostructure devices with vacuum annealing and dual gated configuration reveals that along with the channel, metal-MoS{sub 2} contacts also play a significant role in determining noise magnitude in these devices.

  1. File:USDA-CE-Production-GIFmaps-MO.pdf | Open Energy Information

    Open Energy Info (EERE)

    MO.pdf Jump to: navigation, search File File history File usage Missouri Ethanol Plant Locations Size of this preview: 776 600 pixels. Full resolution (1,650 1,275 pixels,...

  2. NNSA Works to Establish a Reliable Supply of Mo-99 Produced Without...

    National Nuclear Security Administration (NNSA)

    DOENNSA's objective is to accelerate the establishment of a reliable, commercial Mo-99 supply network that avoids a single point of failure and does not use proliferation-sensitiv...

  3. Giant and tunable valley degeneracy splitting in MoTe 2 (Journal...

    Office of Scientific and Technical Information (OSTI)

    This content will become publicly available on September 7, 2016 Title: Giant and tunable valley degeneracy splitting in MoTe 2 Authors: Qi, Jingshan ; Li, Xiao ; Niu, Qian ; Feng, ...

  4. A pseudo binary y-Gd solidification diagram for Ni-Cr-Mo-Gd alloys...

    Office of Scientific and Technical Information (OSTI)

    Title: A pseudo binary y-Gd solidification diagram for Ni-Cr-Mo-Gd alloys. No abstract prepared. Authors: Dupont, John Neuman 1 ; Minicozzi, Michael J. 1 ; Robino, Charles ...

  5. Substrate interactions with suspended and supported monolayer MoS2: Angle-resolved photoemission spectroscopy

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

    Jin, Wencan; Yeh, Po -Chun; Zaki, Nader; Zhang, Datong; Liou, Jonathan T.; Dadap, Jerry I.; Barinov, Alexey; Yablonskikh, Mikhail; Sadowski, Jerzy T.; Sutter, Peter; et al

    2015-03-17

    We report the directly measured electronic structure of exfoliated monolayer molybdenum disulfide (MoS₂) using micrometer-scale angle-resolved photoemission spectroscopy. Measurements of both suspended and supported monolayer MoS₂ elucidate the effects of interaction with a substrate. Thus, a suggested relaxation of the in-plane lattice constant is found for both suspended and supported monolayer MoS₂ crystals. For suspended MoS₂, a careful investigation of the measured uppermost valence band gives an effective mass at Γ¯ and Κ¯ of 2.00m₀ and 0.43m₀, respectively. We also measure an increase in the band linewidth from the midpoint of Γ¯Κ¯ to the vicinity of Κ¯ and briefly discussmore » its possible origin.« less

  6. AB INITIO Modeling of Thermomechanical Properties of Mo-Based Alloys for Fossil Energy Conversion

    SciTech Connect (OSTI)

    Ching, Wai-Yim

    2013-12-31

    In this final scientific/technical report covering the period of 3.5 years started on July 1, 2011, we report the accomplishments on the study of thermo-mechanical properties of Mo-based intermetallic compounds under NETL support. These include computational method development, physical properties investigation of Mo-based compounds and alloys. The main focus is on the mechanical and thermo mechanical properties at high temperature since these are the most crucial properties for their potential applications. In particular, recent development of applying ab initio molecular dynamic (AIMD) simulations to the T1 (Mo{sub 5}Si{sub 3}) and T2 (Mo{sub 5}SiB{sub 2}) phases are highlighted for alloy design in further improving their properties.

  7. URANIUM OXIDE-CONTAINING FUEL ELEMENT COMPOSITION AND METHOD OF MAKING SAME

    DOE Patents [OSTI]

    Handwerk, J.H.; Noland, R.A.; Walker, D.E.

    1957-09-10

    In the past, bodies formed of a mixture of uranium dioxide and aluminum powder have been used in fuel elements; however, these mixtures were found not to be suitable when exposed to temperatures of about 600 deg C, because at such high temperatures the fuel elements were distorted. If uranosic oxide, U/sub 3/O/sub 8/, is substituted for UO/sub 2/, the mechanical properties are not impaired when these materials are used at about 600 deg C and no distortion takes place. The uranosic oxide and aluminum, both in powder form, are first mixed, and after a homogeneous mixture has been obtained, are shaped into fuel elements by extrusion at elevated temperature. Magnesium powder may be used in place of the aluminum.

  8. Improving Accident Tolerance of Nuclear Fuel with Coated Mo-alloy Cladding

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect Improving Accident Tolerance of Nuclear Fuel with Coated Mo-alloy Cladding Citation Details In-Document Search Title: Improving Accident Tolerance of Nuclear Fuel with Coated Mo-alloy Cladding Authors: Cheng, Bo ; Kim, Young-Jin ; Chou, Peter Publication Date: 2016-02-01 OSTI Identifier: 1253199 Type: Published Article Journal Name: Nuclear Engineering and Technology Additional Journal Information: Journal Volume: 48; Journal Issue: 1; Related Information:

  9. Li Intercalation in MoS 2 : In Situ Observation of Its Dynamics and Tuning

    Office of Scientific and Technical Information (OSTI)

    Optical and Electrical Properties (Journal Article) | SciTech Connect Li Intercalation in MoS 2 : In Situ Observation of Its Dynamics and Tuning Optical and Electrical Properties Citation Details In-Document Search Title: Li Intercalation in MoS 2 : In Situ Observation of Its Dynamics and Tuning Optical and Electrical Properties Authors: Xiong, Feng ; Wang, Haotian ; Liu, Xiaoge ; Sun, Jie ; Brongersma, Mark ; Pop, Eric ; Cui, Yi Publication Date: 2015-10-14 OSTI Identifier: 1244610 DOE

  10. Climate Action Champions: Mid-America Regional Council, KS and MO |

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

    Department of Energy Mid-America Regional Council, KS and MO Climate Action Champions: Mid-America Regional Council, KS and MO The Mid-America Regional Council (MARC) is a nonprofit association of city and county governments and the metropolitan planning organization for the bistate Kansas City region. They provide a forum for the region to work together to advance social, economic and environmental progress. MARC received the Climate Action Champion designation in consortium with the City

  11. Valence and metal/silicate partitioning of Mo: Implications for conditions

    Office of Scientific and Technical Information (OSTI)

    of Earth accretion and core formation (Journal Article) | SciTech Connect Valence and metal/silicate partitioning of Mo: Implications for conditions of Earth accretion and core formation Citation Details In-Document Search Title: Valence and metal/silicate partitioning of Mo: Implications for conditions of Earth accretion and core formation Authors: Righter, K. ; Danielson, L. R. ; Pando, K. M. ; Shofner, G. A. ; Sutton, S. R. ; Newville, M. ; Lee, C. -T. [1] ; UC) [2] ; Rice) [2] + Show

  12. Dynamic Structural Response and Deformations of Monolayer MoS 2 Visualized

    Office of Scientific and Technical Information (OSTI)

    by Femtosecond Electron Diffraction (Journal Article) | SciTech Connect SciTech Connect Search Results Journal Article: Dynamic Structural Response and Deformations of Monolayer MoS 2 Visualized by Femtosecond Electron Diffraction Citation Details In-Document Search Title: Dynamic Structural Response and Deformations of Monolayer MoS 2 Visualized by Femtosecond Electron Diffraction Authors: Mannebach, Ehren M. ; Li, Renkai ; Duerloo, Karel-Alexander ; Nyby, Clara ; Zalden, Peter ; Vecchione,

  13. U-EXTRACTION--IMPROVEMENTS IN ELIMINATION OF Mo BY USE OF FERRIC ION

    DOE Patents [OSTI]

    Clark, H.M.; Duffey, D.

    1958-06-10

    An improved solvent extraction process is described whereby U may be extracted by a water immiscible organic solvent from an aqueous solution of uranyl nitrate. It has been found that Mo in the presence of phosphate ions appears to form a complex with the phosphate which extracts along with the U. This extraction of Mo may be suppressed by providing ferric ion in the solution prior to the extraction step. The ferric ion is preferably provided in the form of ferric nitrate.

  14. Rotationally Commensurate Growth of MoS[subscript 2] on Epitaxial Graphene

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect Rotationally Commensurate Growth of MoS[subscript 2] on Epitaxial Graphene Citation Details In-Document Search Title: Rotationally Commensurate Growth of MoS[subscript 2] on Epitaxial Graphene Authors: Liu, Xiaolong ; Balla, Itamar ; Bergeron, Hadallia ; Campbell, Gavin P. ; Bedzyk, Michael J. ; Hersam, Mark C. [1] + Show Author Affiliations NWU Publication Date: 2016-03-04 OSTI Identifier: 1240188 Resource Type: Journal Article Resource Relation: Journal

  15. Surface composition, microstructure and corrosion resistance of AZ31 magnesium alloy irradiated by high-intensity pulsed ion beam

    SciTech Connect (OSTI)

    Li, P., E-mail: pli@sqnc.edu.cn [Department of Physics and Information Engineering, Shangqiu Normal University, Shangqiu 476000 (China); Surface Engineering Laboratory, School of Materials Science and Engineering, Dalian University of Technology, Dalian 116024 (China); Lei, M.K., E-mail: surfeng@dlut.edu.cn [Surface Engineering Laboratory, School of Materials Science and Engineering, Dalian University of Technology, Dalian 116024 (China); Zhu, X.P. [Surface Engineering Laboratory, School of Materials Science and Engineering, Dalian University of Technology, Dalian 116024 (China)

    2011-06-15

    High-intensity pulsed ion beam (HIPIB) irradiation of AZ31 magnesium alloy is performed and electrochemical corrosion experiment of irradiated samples is carried out by using potentiodynamic polarization technology in order to explore the effect of HIPIB irradiation on corrosion resistance of magnesium alloy. The surface composition, cross-sectional morphology and microstructure are characterized by using electron probe microanalyzer, optical microscope and transmission electron microscope, respectively. The results indicated that HIPIB irradiation leads to a significant improvement in corrosion resistance of magnesium alloy, in terms of the considerable increase in both corrosion potential and pitting breakdown potential. The microstructural refinement and surface purification induced by HIPIB irradiation are responsible for the improved corrosion resistance. - Research Highlights: {yields} A modified layer about 30 {mu}m thick is obtained by HIPIB irradiation. {yields} Selective ablation of element/impurity phase having lower melting point is observed. {yields} More importantly, microstructural refinement occurred on the irradiated surface. {yields} The modified layer exhibited a significantly improved corrosion resistance. {yields} Improved corrosion resistance is ascribed to the combined effect induced by HIPIB.

  16. Energy and Technolgy Assessment of Zinc and Magnesium Casting Plants, Technical Report Close-out, August 25,2006

    SciTech Connect (OSTI)

    Twin City Die Castings Company; Tom Heider; North American Die Castings Association

    2006-08-25

    Twin City Die Castings Company of Minneapolis, Minnesota, Twin City Die Castings Company was awarded project No. DE-FG36-05GO15097 to perform plant wide assessments of ten (10) die casting facilities that produce zinc and magnesium alloy castings in order to determine improvements and potential cost savings in energy use. Mr. Heider filled the role of team leader for the project and utilized the North American Die Casting Association (NADCA) to conduct audits at team participant plants so as to hold findings specific to each plant proprietary. The intended benefits of the project were to improve energy use through higher operational and process efficiency for the plants assessed. An improvement in energy efficiency of 5 15% was targeted. The primary objectives of the project was to: 1) Expand an energy and technology tool developed by the NADCA under a previous DOE project titled, Energy and Technology Assessment for Die Casting Plants for assessing aluminum die casting plants to be more specifically applicable to zinc and magnesium die casting facilities. 2) Conduct ten (10) assessments of zinc and magnesium die casting plants, within eight (8) companies, utilizing the assessment tool to identify, evaluate and recommend opportunities to enhance energy efficiency, minimize waste, and improve productivity. 3) Transfer the assessment tool to the die casting industry at large.

  17. High reflectance and low stress Mo2C/Be multilayers

    DOE Patents [OSTI]

    Bajt, Sasa; Barbee, Jr., Troy W.

    2001-01-01

    A material for extreme ultraviolet (EUV) multilayers that will reflect at about 11.3 nm, have a high reflectance, low stress, and high thermal and radiation stability. The material consists of alternating layers of Mo.sub.2 C and Be deposited by DC magnetron sputtering on a substrate, such as silicon. In one example a Mo.sub.2 C/Be multilayer gave 65.2% reflectance at 11.25 nm measured at 5 degrees off normal incidence angle, and consisted of 70 bilayers with a deposition period of 5.78 nm, and was deposited at 0.83 mTorr argon (Ar) sputtering pressure, with the first and last layers being Be. The stress of the multilayer is tensile and only +88 MPa, compared to +330 MPa of a Mo/Be multilayers of the same thickness. The Mo.sub.2 C/Be multilayer was capped with carbon which produced an increase in reflectivity of about 7% over a similar multilayer with no carbon capping material, thus raising the reflectivity from 58.3% to over 65%. The multilayers were formed using either Mo.sub.2 C or Be as the first and last layers, and initial testing has shown the formation of beryllium carbide at the interfaces between the layers which both stabilizes and has a smoothing effect, and appear to be smoother than the interfaces in Mo/Be multilayers.

  18. Thermal stability of intermetallic phases in Fe-rich Fe-Cr-Ni-Mo alloys

    SciTech Connect (OSTI)

    Yang, Ying; Tan, Lizhen; Busby, Jeremy T.

    2015-06-12

    Understanding the stability of precipitate phases in the Fe-rich Fe-Cr-Ni-Mo alloys is critical to the alloy design and application of Mo-containing Austenitic steels. Coupled with thermodynamic modeling, stability of the chi and Laves phases in two Fe-Cr-Ni-Mo alloys were investigated at 1000, 850 and 700 °C for different annealing time. The morphologies, compositions and crystal structures of the matrix and precipitate phases were carefully examined by Scanning Electron Microscopy, Electron Probe Microanalysis, X-ray diffraction and Transmission Electron Microscopy. The two key findings resulted from this work. One is that the chi phase is stable at high temperature and transformed into the Laves phase at low temperature. The other is that both the chi and Laves phases have large solubilites of Cr, Mo and Ni, among which the Mo solubility has a major role on the relative stability of the precipitate phases. The developed thermodynamic models were then applied to evaluating the Mo effect on the stability of precipitate phases in AISI 316 and NF709 alloys.

  19. Stability of precipitate phases in Fe-rich Fe-Cr-Ni-Mo alloys

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

    Yang, Ying; Tan, Lizhen; Busby, Jeremy T

    2015-01-01

    Understanding the stability of precipitate phases in the Fe-rich Fe-Cr-Ni-Mo alloys is critical to the alloy design and application of Mo-containing Austenitic steels. Coupled with thermodynamic modeling, stability of the and phases in two Fe-Cr-Ni-Mo alloys were investigated at 1000, 850 and 700 C for different annealing time. The morphologies, compositions and crystal structures of the matrix and precipitate phases were carefully examined by Scanning Electron Microscopy, Electron Probe Microanalysis, X-ray diffraction and Transmission Electron Microscopy. Two key findings resulted from this work. One is that the phase is stable at high temperature and transformed into the phase at lowmoretemperature. The other is that both the and phases have large solubilites of Cr, Mo and Ni, among which the Mo solubility has a major role on the relative stability of the precipitate phases. The developed thermodynamic models were then applied to evaluating the Mo effect on the stability of precipitate phases in AISI 316 and NF709 alloys.less

  20. Thermal stability of intermetallic phases in Fe-rich Fe-Cr-Ni-Mo alloys

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

    Yang, Ying; Tan, Lizhen; Busby, Jeremy T.

    2015-06-12

    Understanding the stability of precipitate phases in the Fe-rich Fe-Cr-Ni-Mo alloys is critical to the alloy design and application of Mo-containing Austenitic steels. Coupled with thermodynamic modeling, stability of the chi and Laves phases in two Fe-Cr-Ni-Mo alloys were investigated at 1000, 850 and 700 °C for different annealing time. The morphologies, compositions and crystal structures of the matrix and precipitate phases were carefully examined by Scanning Electron Microscopy, Electron Probe Microanalysis, X-ray diffraction and Transmission Electron Microscopy. The two key findings resulted from this work. One is that the chi phase is stable at high temperature and transformed intomore » the Laves phase at low temperature. The other is that both the chi and Laves phases have large solubilites of Cr, Mo and Ni, among which the Mo solubility has a major role on the relative stability of the precipitate phases. The developed thermodynamic models were then applied to evaluating the Mo effect on the stability of precipitate phases in AISI 316 and NF709 alloys.« less

  1. Effects of thermal treatment on the co-rolled U-Mo fuel foils

    SciTech Connect (OSTI)

    Dennis D. Keiser, Jr.; Tammy L. Trowbridge; Cynthia R. Breckenridge; Brady L. Mackowiak; Glenn A. Moore; Barry H. Rabin; Mitchell K. Meyer

    2014-11-01

    A monolithic fuel type is being developed to convert US high performance research and test reactors such as Advanced Test Reactor (ATR) at Idaho National Laboratory from highly enriched uranium (HEU) to low-enriched uranium (LEU). The interaction between the cladding and the U-Mo fuel meat during fuel fabrication and irradiation is known to have negative impacts on fuel performance, such as mechanical integrity and dimensional stability. In order to eliminate/minimize the direct interaction between cladding and fuel meat, a thin zirconium diffusion barrier was introduced between the cladding and U-Mo fuel meat through a co-rolling process. A complex interface between the zirconium and U-Mo was developed during the co-rolling process. A predictable interface between zirconium and U-Mo is critical to achieve good fuel performance since the interfaces can be the weakest link in the monolithic fuel system. A post co-rolling annealing treatment is expected to create a well-controlled interface between zirconium and U-Mo. A systematic study utilizing post co-rolling annealing treatment has been carried out. Based on microscopy results, the impacts of the annealing treatment on the interface between zirconium and U-Mo will be presented and an optima annealing treatment schedule will be suggested. The effects of the annealing treatment on the fuel performance will also be discussed.

  2. The carburization of transition metal molybdates (MxMoO₄, M= Cu, Ni or Co) and the generation of highly active metal/carbide catalysts for CO₂ hydrogenation

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

    Rodriguez, Jose A.; Xu, Wenqian; Ramirez, Pedro J.; Stachiola, Dario; Brito, Joaquin L.

    2015-05-06

    A new approach has been tested for the preparation of metal/Mo₂C catalysts using mixed-metal oxide molybdates as precursors. Synchrotron-based in situ time-resolved X-ray diffraction was used to study the reduction and carburization processes of Cu₃(MoO₄)₂(OH)₂, a-NiMoO₄ and CoMoO₄•nH₂O by thermal treatment under mixtures of hydrogen and methane. In all cases, the final product was β-Mo₂C and a metal phase (Cu, Ni, or Co), but the transition sequence varied with the different metals, and it could be related to the reduction potential of the Cu²⁺, Ni²⁺ and Co²⁺ cations inside each molybdate. The synthesized Cu/Mo₂C, Ni/Mo₂C and Co/Mo₂C catalysts were highlymore » active for the hydrogenation of CO₂. The metal/Mo₂C systems exhibited large variations in the selectivity towards methanol, methane and CnH₂n₊₂ (n > 2) hydrocarbons depending on the nature of the supported metal and its ability to cleave C-O bonds. Cu/Mo₂C displayed a high selectivity for CO and methanol production. Ni/Mo₂C and Co/Mo₂C were the most active catalysts for the activation and full decomposition of CO₂, showing high selectivity for the production of methane (Ni case) and CnH₂n₊₂ (n > 2) hydrocarbons (Co case).« less

  3. The carburization of transition metal molybdates (MxMoO₄, M= Cu, Ni or Co) and the generation of highly active metal/carbide catalysts for CO₂ hydrogenation

    SciTech Connect (OSTI)

    Rodriguez, Jose A.; Xu, Wenqian; Ramirez, Pedro J.; Stachiola, Dario; Brito, Joaquin L.

    2015-05-06

    A new approach has been tested for the preparation of metal/Mo₂C catalysts using mixed-metal oxide molybdates as precursors. Synchrotron-based in situ time-resolved X-ray diffraction was used to study the reduction and carburization processes of Cu₃(MoO₄)₂(OH)₂, a-NiMoO₄ and CoMoO₄•nH₂O by thermal treatment under mixtures of hydrogen and methane. In all cases, the final product was β-Mo₂C and a metal phase (Cu, Ni, or Co), but the transition sequence varied with the different metals, and it could be related to the reduction potential of the Cu²⁺, Ni²⁺ and Co²⁺ cations inside each molybdate. The synthesized Cu/Mo₂C, Ni/Mo₂C and Co/Mo₂C catalysts were highly active for the hydrogenation of CO₂. The metal/Mo₂C systems exhibited large variations in the selectivity towards methanol, methane and CnH₂n₊₂ (n > 2) hydrocarbons depending on the nature of the supported metal and its ability to cleave C-O bonds. Cu/Mo₂C displayed a high selectivity for CO and methanol production. Ni/Mo₂C and Co/Mo₂C were the most active catalysts for the activation and full decomposition of CO₂, showing high selectivity for the production of methane (Ni case) and CnH₂n₊₂ (n > 2) hydrocarbons (Co case).

  4. Partial oxidation catalyst

    DOE Patents [OSTI]

    Krumpelt, Michael; Ahmed, Shabbir; Kumar, Romesh; Doshi, Rajiv

    2000-01-01

    A two-part catalyst comprising a dehydrogenation portion and an oxide-ion conducting portion. The dehydrogenation portion is a group VIII metal and the oxide-ion conducting portion is selected from a ceramic oxide crystallizing in the fluorite or perovskite structure. There is also disclosed a method of forming a hydrogen rich gas from a source of hydrocarbon fuel in which the hydrocarbon fuel contacts a two-part catalyst comprising a dehydrogenation portion and an oxide-ion conducting portion at a temperature not less than about 400.degree. C. for a time sufficient to generate the hydrogen rich gas while maintaining CO content less than about 5 volume percent. There is also disclosed a method of forming partially oxidized hydrocarbons from ethanes in which ethane gas contacts a two-part catalyst comprising a dehydrogenation portion and an oxide-ion conducting portion for a time and at a temperature sufficient to form an oxide.

  5. ZIRCONIUM OXIDE NANOSTRUCTURES PREPARED BY ANODIC OXIDATION

    SciTech Connect (OSTI)

    Dang, Y. Y.; Bhuiyan, M.S.; Paranthaman, M. P.

    2008-01-01

    Zirconium oxide is an advanced ceramic material highly useful for structural and electrical applications because of its high strength, fracture toughness, chemical and thermal stability, and biocompatibility. If highly-ordered porous zirconium oxide membranes can be successfully formed, this will expand its real-world applications, such as further enhancing solid-oxide fuel cell technology. Recent studies have achieved various morphologies of porous zirconium oxide via anodization, but they have yet to create a porous layer where nanoholes are formed in a highly ordered array. In this study, electrochemical methods were used for zirconium oxide synthesis due to its advantages over other coating techniques, and because the thickness and morphology of the ceramic fi lms can be easily tuned by the electrochemical parameters, such as electrolyte solutions and processing conditions, such as pH, voltage, and duration. The effects of additional steps such as pre-annealing and post-annealing were also examined. Results demonstrate the formation of anodic porous zirconium oxide with diverse morphologies, such as sponge-like layers, porous arrays with nanoholes ranging from 40 to 75 nm, and nanotube layers. X-ray powder diffraction analysis indicates a cubic crystallographic structure in the zirconium oxide. It was noted that increased voltage improved the ability of the membrane to stay adhered to the zirconium substrate, whereas lower voltages caused a propensity for the oxide fi lm to fl ake off. Further studies are needed to defi ne the parameters windows that create these morphologies and to investigate other important characteristics such as ionic conductivity.

  6. A Rac1--GDP trimer complex binds zinc with tetrahedral and octahedral coordination, displacing magnesium

    SciTech Connect (OSTI)

    Prehna, G.; Stebbins, C

    2007-01-01

    The Rho family of small GTPases represent well characterized signaling molecules that regulate many cellular functions such as actin cytoskeletal arrangement and the cell cycle by acting as molecular switches. A Rac1-GDP-Zn complex has been crystallized in space group P3221 and its crystal structure has been solved at 1.9 {angstrom} resolution. These trigonal crystals reveal the unexpected ability of Rac1 to coordinate Zn atoms in a tetrahedral fashion by use of its biologically relevant switch I and switch II regions. Upon coordination of zinc, the switch I region is stabilized in the GDP-bound conformation and contributes to a Rac1 trimer in the asymmetric unit. Zinc coordination causes switch II to adopt a novel conformation with a symmetry-related molecule. Additionally, zinc was found to displace magnesium from its octahedral coordination at switch I, although GDP binding remained stable. This structure represents the first reported Rac1-GDP-Zn complex, which further underscores the conformational flexibility and versatility of the small GTPase switch regions.

  7. A Rac1-GDP Trimer Complex Binds Zinc with Tetrahedral and Octahedral Coordination, Displacing Magnesium

    SciTech Connect (OSTI)

    Prehna,G.; Stebbins, E.

    2007-01-01

    The Rho family of small GTPases represent well characterized signaling molecules that regulate many cellular functions such as actin cytoskeletal arrangement and the cell cycle by acting as molecular switches. A Rac1-GDP-Zn complex has been crystallized in space group P3{sub 2}21 and its crystal structure has been solved at 1.9 {angstrom} resolution. These trigonal crystals reveal the unexpected ability of Rac1 to coordinate Zn atoms in a tetrahedral fashion by use of its biologically relevant switch I and switch II regions. Upon coordination of zinc, the switch I region is stabilized in the GDP-bound conformation and contributes to a Rac1 trimer in the asymmetric unit. Zinc coordination causes switch II to adopt a novel conformation with a symmetry-related molecule. Additionally, zinc was found to displace magnesium from its octahedral coordination at switch I, although GDP binding remained stable. This structure represents the first reported Rac1-GDP-Zn complex, which further underscores the conformational flexibility and versatility of the small GTPase switch regions.

  8. Assessment of Computer Simulation Software and Process Data for High Pressure Die Casting of Magnesium

    SciTech Connect (OSTI)

    Sabau, Adrian S; Hatfield, Edward C; Dinwiddie, Ralph Barton; Kuwana, Kazunori; Viti, Valerio; Hassan, Mohamed I; Saito, Kozo

    2007-09-01

    Computer software for the numerical simulation of solidification and mold filling is an effective design tool for cast structural automotive magnesium components. A review of commercial software capabilities and their validation procedures was conducted. Aside form the software assessment, the program addressed five main areas: lubricant degradation, lubricant application, gate atomization, and heat transfer at metal mold interfaces. A test stand for lubricant application was designed. A sensor was used for the direct measurement of heat fluxes during lubricant application and casting solidification in graphite molds. Spray experiments were conducted using pure deionized water and commercial die lubricants. The results show that the sensor can be used with confidence for measuring heat fluxes under conditions specific to the die lube application. The data on heat flux was presented in forms suitable for use in HPDC simulation software. Severe jet breakup and atomization phenomena are likely to occur due to high gate velocities in HPDC. As a result of gate atomization, droplet flow affects the mold filling pattern, air entrapment, skin formation, and ensuing defects. Warm water analogue dies were designed for obtaining experimental data on mold filling phenomena. Data on break-up jet length, break-up pattern, velocities, and droplet size distribution were obtained experimentally and was used to develop correlations for jet break-up phenomena specific to die casting gate configurations.

  9. Understanding Low-cycle Fatigue Life Improvement Mechanisms in a Pre-twinned Magnesium Alloy

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

    Wu, Wei; An, Ke

    2015-10-03

    The mechanisms of fatigue life improvement by pre-twinning process in a commercial rolled magnesium (Mg) alloy have been investigated using real-time in situ neutron diffraction under a continuous-loading condition. It is found that by introducing the excess twinned grains through pre-compression along the rolling direction the fatigue life was enhanced approximately 50%, mainly resulting from the prolonged detwinning process and inhibited dislocation slip during reverse tension. Moreover, after pre-twinning process, the removal of the rapid strain hardening during reverse tension leads to a compressive mean stress value and more symmetric shape of stress-strain hysteresis loop. The pre-twinning has significant impactsmore » on the twinning-detwinning characteristics and deformation modes during cyclic loading and greatly facilitates the twinning-detwinning activities in plastic deformation. The cyclic straining leads to the increase of contribution of tensile twinning deformation in overall plastic deformation in both the as-received and pre-deformed sample. The mechanisms of load partitioning in different groups of grains are closely related to the deformation modes in each deformation stage, while the fatigue cycling has little influence on the load sharing. The pre-twinning process provides an easy and cost-effective route to improve the low-cycle fatigue life through manufacturing and processing, which would advance the wide application of light-weight wrought Mg alloys as structural materials.« less

  10. Effects of Pore Distributions on Ductility of Thin-Walled High Pressure Die-Cast Magnesium

    SciTech Connect (OSTI)

    Choi, Kyoo Sil; Li, Dongsheng; Sun, Xin; Li, Mei; Allison, John

    2013-06-01

    In this paper, a microstructure-based three-dimensional (3D) finite element modeling method is adopted to investigate the effects of porosity in thin-walled high pressure die-cast (HPDC) Magnesium alloys on their ductility. For this purpose, the cross-sections of AM60 casting samples are first examined using optical microscope and X-ray tomography to obtain the general information on the pore distribution features. The experimentally observed pore distribution features are then used to generate a series of synthetic microstructure-based 3D finite element models with different pore volume fractions and pore distribution features. Shear and ductile damage models are adopted in the finite element analyses to induce the fracture by element removal, leading to the prediction of ductility. The results in this study show that the ductility monotonically decreases as the pore volume fraction increases and that the effect of skin region on the ductility is noticeable under the condition of same local pore volume fraction in the center region of the sample and its existence can be beneficial for the improvement of ductility. The further synthetic microstructure-based 3D finite element analyses are planned to investigate the effects of pore size and pore size distribution.

  11. CHARACTERIZATION AND FORMABILITY OF CONTINUOUS-CAST AZ31B MAGNESIUM ALLOY SHEETS

    SciTech Connect (OSTI)

    Rohatgi, Aashish; Herling, Darrell R.; Nyberg, Eric A.

    2009-09-24

    The goal of this work is to understand the inter-relationship between the initial properties of continuous-cast magnesium alloy (AZ31B) sheets and their subsequent formability and post-formed mechanical performance for use in cost-effective, lightweight, automotive body panels. As-received sheets, provided by the Automotive Metals Division (AMD-602) team, were characterized by surface roughness measurements using mechanical profilometry. The arithmetic mean deviation of profile (Ra) and the maximum two-point height of profile (Ry) of the as-received sheets ranged from ~0.2-2 ?m and ~2-15 ?m, respectively. Several commercial lubricants were evaluated by thermal analysis and the liquid phase of the lubricants was found to evaporate/decompose upon heating leaving behind a solid residue upon heating to temperatures exceeding ~125-150C. Elevated temperature bending-under-tension (BUT) friction tests were conducted at 350C and the coefficient-of-friction values ranged from a minimum of ~0.1 (for tungsten disulfide lubricant) to ~0.7 when no lubricant was used. These results, in conjunction with those from the forming trials conducted by the AMD-602 team, will be eventually used to determine the role of sheet-die friction in determining the formability of AZ31B sheets.

  12. Magnesium and Manganese Silicides For Efficient And Low Cost Thermo-Electric Power Generation

    SciTech Connect (OSTI)

    Trivedi, Sudhir B.; Kutcher, Susan W.; Rosemeier, Cory A.; Mayers, David; Singh, Jogender

    2013-12-02

    Thermoelectric Power Generation (TEPG) is the most efficient and commercially deployable power generation technology for harvesting wasted heat from such things as automobile exhausts, industrial furnaces, and incinerators, and converting it into usable electrical power. We investigated the materials magnesium silicide (Mg2Si) and manganese silicide (MnSi) for TEG. MgSi2 and MnSi are environmentally friendly, have constituent elements that are abundant in the earth's crust, non-toxic, lighter and cheaper. In Phase I, we successfully produced Mg2Si and MnSi material with good TE properties. We developed a novel technique to synthesize Mg2Si with good crystalline quality, which is normally very difficult due to high Mg vapor pressure and its corrosive nature. We produced n-type Mg2Si and p-type MnSi nanocomposite pellets using FAST. Measurements of resistivity and voltage under a temperature gradient indicated a Seebeck coefficient of roughly 120 V/K on average per leg, which is quite respectable. Results indicated however, that issues related to bonding resulted in high resistivity contacts. Determining a bonding process and bonding material that can provide ohmic contact from room temperature to the operating temperature is an essential part of successful device fabrication. Work continues in the development of a process for reproducibly obtaining low resistance electrical contacts.

  13. Oxidation Resistant Graphite Studies

    SciTech Connect (OSTI)

    W. Windes; R. Smith

    2014-07-01

    The Very High Temperature Reactor (VHTR) Graphite Research and Development Program is investigating doped nuclear graphite grades exhibiting oxidation resistance. During a oxygen ingress accident the oxidation rates of the high temperature graphite core region would be extremely high resulting in significant structural damage to the core. Reducing the oxidation rate of the graphite core material would reduce the structural effects and keep the core integrity intact during any air-ingress accident. Oxidation testing of graphite doped with oxidation resistant material is being conducted to determine the extent of oxidation rate reduction. Nuclear grade graphite doped with varying levels of Boron-Carbide (B4C) was oxidized in air at nominal 740°C at 10/90% (air/He) and 100% air. The oxidation rates of the boronated and unboronated graphite grade were compared. With increasing boron-carbide content (up to 6 vol%) the oxidation rate was observed to have a 20 fold reduction from unboronated graphite. Visual inspection and uniformity of oxidation across the surface of the specimens were conducted. Future work to determine the remaining mechanical strength as well as graphite grades with SiC doped material are discussed.

  14. MCNPX-CINDER'90 Simulation of Photonuclear Mo-99 Production Experiments

    SciTech Connect (OSTI)

    Kelsey, Charles T. IV [Los Alamos National Laboratory; Chemerizov, Sergey D. [Argonne National Laboratory; Dale, Gregory E. [Los Alamos National Laboratory; Harvey, James T. [NorthStar Medical Radioisotopes; Tkac, Peter [Argonne National Laboratory; Vandegrift, George R III [Argonne National Laboratory

    2011-01-01

    The MCNPX and CINDER'90 codes were used to support design of experiments investigating Mo-99 production with a 20-MeV electron beam. Bremsstrahlung photons produced by the electron beam interacting with the target drive the desired Mo-100({gamma},n)Mo-99 reaction, as well as many undesired reactions important to accurate prediction of radiation hazards. MCNPX is a radiation transport code and CINDER'90 is a transmutation code. They are routinely used together for accelerator activation calculations. Low energy neutron fluxes and production rates for nonneutron and high energy neutron induced reactions computed using MCNPX are inputs to CINDER'90. CINDER'90 presently has only a neutron reaction cross section library up to 25 MeV and normally the other reaction rates come from MCNPX physics models. For this work MCNPX photon flux tallies modified by energy response functions prepared from evaluated photonuclear cross section data were used to tally the reaction rates for CINDER'90 input. The cross section evaluations do not provide isomer to ground state yield ratios so a spin based approximation was used. Post irradiation dose rates were calculated using MCNPX with CINDER'90 produced decay photon spectra. The sensitivity of radionuclide activities and dose rates to beam parameters including energy, position, and profile, as well as underlying isomer assumptions, was investigated. Three experimental production targets were irradiated, two natural Mo and one Mo-100 enriched. Natural Mo foils upstream of the targets were used to analyze beam position and profile by exposing Gafchromic film to the foils after each irradiation. Activation and dose rate calculations were rerun after the experiments using measured beam parameters for comparison with measured Mo-99 activities and dose rates.

  15. 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.

  16. Efficient reversible electrodes for solid oxide electrolyzer cells

    DOE Patents [OSTI]

    Elangovan, S.; Hartvigsen, Joseph J.; Zhao, Feng

    2013-01-15

    An electrolyzer cell is disclosed which includes a cathode to reduce an oxygen-containing molecule, such as H2O, CO.sub.2, or a combination thereof, to produce an oxygen ion and a fuel molecule, such as H.sub.2, CO, or a combination thereof. An electrolyte is coupled to the cathode to transport the oxygen ion to an anode. The anode is coupled to the electrolyte to receive the oxygen ion and produce oxygen gas therewith. In one embodiment, the anode may be fabricated to include an electron-conducting phase having a perovskite crystalline structure or structure similar thereto. This perovskite may have a chemical formula of substantially (Pr(.sub.1-x)La.sub.x)(z-y)A'.sub.yBO(3-.differential.), wherein 0oxide intermixed with magnesium oxide.

  17. Efficient reversible electrodes for solid oxide electrolyzer cells

    DOE Patents [OSTI]

    Elangovan, Singaravelu; Hartvigsen, Joseph J.

    2011-07-12

    An electrolyzer cell is disclosed which includes a cathode to reduce an oxygen-containing molecule, such as H2O, CO2, or a combination thereof, to produce an oxygen ion and a fuel molecule, such as H2, CO, or a combination thereof. An electrolyte is coupled to the cathode to transport the oxygen ion to an anode. The anode is coupled to the electrolyte to receive the oxygen ion and produce oxygen gas therewith. In one embodiment, the anode may be fabricated to include an electron-conducting phase having a perovskite crystalline structure or structure similar thereto. This perovskite may have a chemical formula of substantially (Pr(1-x)Lax)(z-y)A'yBO(3-.differential.), wherein 0.ltoreq.x.ltoreq.0.5, 0.ltoreq.y.ltoreq.0.5, and 0.8.ltoreq.z.ltoreq.1.1. In another embodiment, the cathode includes an electron-conducting phase that contains nickel oxide intermixed with magnesium oxide.

  18. Barium oxide, calcium oxide, magnesia, and alkali oxide free glass

    DOE Patents [OSTI]

    Lu, Peizhen Kathy; Mahapatra, Manoj Kumar

    2013-09-24

    A glass composition consisting essentially of about 10-45 mole percent of SrO; about 35-75 mole percent SiO.sub.2; one or more compounds from the group of compounds consisting of La.sub.2O.sub.3, Al.sub.2O.sub.3, B.sub.2O.sub.3, and Ni; the La.sub.2O.sub.3 less than about 20 mole percent; the Al.sub.2O.sub.3 less than about 25 mole percent; the B.sub.2O.sub.3 less than about 15 mole percent; and the Ni less than about 5 mole percent. Preferably, the glass is substantially free of barium oxide, calcium oxide, magnesia, and alkali oxide. Preferably, the glass is used as a seal in a solid oxide fuel/electrolyzer cell (SOFC) stack. The SOFC stack comprises a plurality of SOFCs connected by one or more interconnect and manifold materials and sealed by the glass. Preferably, each SOFC comprises an anode, a cathode, and a solid electrolyte.

  19. Microstructure investigation of 13Cr-2Mo ODS steel components obtained by high voltage electric discharge compaction technique

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

    Bogachev, Igor; Yudin, Artem; Grigoryev, Evgeniy; Chernov, Ivan; Staltsov, Maxim; Khasanov, Oleg; Olevsky, Eugene

    2015-11-02

    Refractory oxide dispersion strengthened 13Cr-2Mo steel powder was successfully consolidated to near theoretical density using high voltage electric discharge compaction. Cylindrical samples with relative density from 90% to 97% and dimensions of 10 mm in diameter and 10–15 mm in height were obtained. Consolidation conditions such as pressure and voltage were varied in some ranges to determine the optimal compaction regime. Three different concentrations of yttria were used to identify its effect on the properties of the samples. It is shown that the utilized ultra-rapid consolidation process in combination with high transmitted energy allows obtaining high density compacts, retaining themore » initial structure with minimal grain growth. The experimental results indicate some heterogeneity of the structure which may occur in the external layers of the tested samples due to various thermal and electromagnetic in-processing effects. As a result, the choice of the optimal parameters of the consolidation enables obtaining samples of acceptable quality.« less

  20. OXIDATION OF TRANSURANIC ELEMENTS

    DOE Patents [OSTI]

    Moore, R.L.

    1959-02-17

    A method is reported for oxidizing neptunium or plutonium in the presence of cerous values without also oxidizing the cerous values. The method consists in treating an aqueous 1N nitric acid solution, containing such cerous values together with the trivalent transuranic elements, with a quantity of hydrogen peroxide stoichiometrically sufficient to oxidize the transuranic values to the hexavalent state, and digesting the solution at room temperature.

  1. Superconductive ceramic oxide combination

    SciTech Connect (OSTI)

    Chatterjee, D.K.; Mehrotra, A.K.; Mir, J.M.

    1991-03-05

    This patent describes the combination of a superconductive ceramic oxide which degrades in conductivity upon contact of ambient air with its surface and, interposed between the ceramic oxide surface and ambient air in the amount of at least 1 mg per square meter of surface area of the superconductive ceramic oxide, a passivant polymer selected from the group consisting of a polyester ionomer and an alkyl cellulose.

  2. METAL OXIDE NANOPARTICLES

    SciTech Connect (OSTI)

    FERNANDEZ-GARCIA,M.; RODGRIGUEZ, J.A.

    2007-10-01

    This chapter covers the fundamental science, synthesis, characterization, physicochemical properties and applications of oxide nanomaterials. Explains fundamental aspects that determine the growth and behavior of these systems, briefly examines synthetic procedures using bottom-up and top-down fabrication technologies, discusses the sophisticated experimental techniques and state of the art theory results used to characterize the physico-chemical properties of oxide solids and describe the current knowledge concerning key oxide materials with important technological applications.

  3. Mixed oxide solid solutions

    DOE Patents [OSTI]

    Magno, Scott; Wang, Ruiping; Derouane, Eric

    2003-01-01

    The present invention is a mixed oxide solid solution containing a tetravalent and a pentavalent cation that can be used as a support for a metal combustion catalyst. The invention is furthermore a combustion catalyst containing the mixed oxide solid solution and a method of making the mixed oxide solid solution. The tetravalent cation is zirconium(+4), hafnium(+4) or thorium(+4). In one embodiment, the pentavalent cation is tantalum(+5), niobium(+5) or bismuth(+5). Mixed oxide solid solutions of the present invention exhibit enhanced thermal stability, maintaining relatively high surface areas at high temperatures in the presence of water vapor.

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

    SciTech Connect (OSTI)

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

    1999-07-01

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

  5. Nanowire CdS-CdTe solar cells with molybdenum oxide as contact

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

    Dang, Hongmei; Singh, Vijay P.

    2015-10-06

    Using a 10 nm thick molybdenum oxide (MoO3-x) layer as a transparent and low barrier contact to p-CdTe, we demonstrate nanowire CdS-CdTe solar cells with a power conversion efficiency of 11% under front side illumination. Annealing the as-deposited MoO3 film in N2 resulted in a reduction of the cell’s series resistance, from 9.97 Ω/cm2 to 7.69 Ω/cm2, and increase in efficiency from 9.9% to 11%. Under illumination from the back, the MoO3-x/Au side, the nanowire solar cells yielded Jsc of 21 mA/cm2 and efficiency of 8.67%. Our results demonstrate use of a thin layer transition metal oxide as a potentialmore » way for a transparent back contact to nanowire CdS-CdTe solar cells. As a result, this work has implications toward enabling a novel superstrate structure nanowire CdS-CdTe solar cell on Al foil substrate by a low cost roll-to roll fabrication process.« less

  6. Nanowire CdS-CdTe solar cells with molybdenum oxide as contact

    SciTech Connect (OSTI)

    Dang, Hongmei; Singh, Vijay P.

    2015-10-06

    Using a 10 nm thick molybdenum oxide (MoO3-x) layer as a transparent and low barrier contact to p-CdTe, we demonstrate nanowire CdS-CdTe solar cells with a power conversion efficiency of 11% under front side illumination. Annealing the as-deposited MoO3 film in N2 resulted in a reduction of the cell’s series resistance, from 9.97 Ω/cm2 to 7.69 Ω/cm2, and increase in efficiency from 9.9% to 11%. Under illumination from the back, the MoO3-x/Au side, the nanowire solar cells yielded Jsc of 21 mA/cm2 and efficiency of 8.67%. Our results demonstrate use of a thin layer transition metal oxide as a potential way for a transparent back contact to nanowire CdS-CdTe solar cells. As a result, this work has implications toward enabling a novel superstrate structure nanowire CdS-CdTe solar cell on Al foil substrate by a low cost roll-to roll fabrication process.

  7. Hopping conduction in p-type MoS{sub 2} near the critical regime of the

    Office of Scientific and Technical Information (OSTI)

    metal-insulator transition (Journal Article) | SciTech Connect Hopping conduction in p-type MoS{sub 2} near the critical regime of the metal-insulator transition Citation Details In-Document Search Title: Hopping conduction in p-type MoS{sub 2} near the critical regime of the metal-insulator transition We report on temperature-dependent charge and magneto transport of chemically doped MoS{sub 2}, p-type molybdenum disulfide degenerately doped with niobium (MoS{sub 2}:Nb). The temperature

  8. TEM Characterization of High Burn-up Microstructure of U-7Mo Alloy

    SciTech Connect (OSTI)

    Jian Gan; Brandon Miller; Dennis Keiser; Adam Robinson; James Madden; Pavel Medvedev; Daniel Wachs

    2014-04-01

    As an essential part of global nuclear non-proliferation effort, the RERTR program is developing low enriched U-Mo fuels (< 20% U-235) for use in research and test reactors that currently employ highly enriched uranium fuels. One type of fuel being developed is a dispersion fuel plate comprised of U-7Mo particles dispersed in Al alloy matrix. Recent TEM characterizations of the ATR irradiated U-7Mo dispersion fuel plates include the samples with a local fission densities of 4.5, 5.2, 5.6 and 6.3 E+21 fissions/cm3 and irradiation temperatures of 101-136?C. The development of the irradiated microstructure of the U-7Mo fuel particles consists of fission gas bubble superlattice, large gas bubbles, solid fission product precipitates and their association to the large gas bubbles, grain subdivision to tens or hundreds of nanometer size, collapse of bubble superlattice, and amorphisation. This presentation will describe the observed microstructures specifically focusing on the U-7Mo fuel particles. The impact of the observed microstructure on the fuel performance and the comparison of the relevant features with that of the high burn-up UO2 fuels will be discussed.

  9. Fragile structural transition in Mo3Sb7

    SciTech Connect (OSTI)

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

    2015-08-10

    Mo3Sb7 single crystals lightly doped with Cr, Ru, or Te are studied in order to explore the interplay between superconductivity, magnetism, and the cubic-tetragonal structural transition. The structural transition at 53 K is extremely sensitive to Ru or Te substitution which introduces additional electrons, but robust against Cr substitution. We observed no sign of a structural transition in superconducting Mo2.91Ru0.09Sb7 and Mo3Sb6.975Te0.025. In contrast, 3 at.% Cr doping only slightly suppresses the structural transition to 48 K while leaving no trace of superconductivity above 1.8 K. Analysis of magnetic properties suggests that the interdimer interaction in Mo3Sb7 is near a critical value and essential for the structural transition. Futhermore, all dopants suppress the superconductivity of Mo3Sb7. The tetragonal structure is not necessary for superconductivity.

  10. Elementary Steps of Syngas Reactions on Mo2C(001): Adsorption Thermochemistry and Bond Dissociation

    SciTech Connect (OSTI)

    Medford, Andrew

    2012-02-16

    Density functional theory (DFT) and ab initio thermodynamics are applied in order to investigate the most stable surface and subsurface terminations of Mo{sub 2}C(001) as a function of chemical potential and in the presence of syngas. The Mo-terminated (001) surface is then used as a model surface to evaluate the thermochemistry and energetic barriers for key elementary steps in syngas reactions. Adsorption energy scaling relations and Broensted-Evans-Polanyi relationships are established and used to place Mo{sub 2}C into the context of transition metal surfaces. The results indicate that the surface termination is a complex function of reaction conditions and kinetics. It is predicted that the surface will be covered by either C{sub 2}H{sub 2} or O depending on conditions. Comparisons to transition metals indicate that the Mo-terminated Mo{sub 2}C(001) surface exhibits carbon reactivity similar to transition metals such as Ru and Ir, but is significantly more reactive towards oxygen.

  11. Cyclopentadienyl-bis(oxazoline) magnesium and zirconium complexes in aminoalkene hydroaminations

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

    Eedugurala, Naresh; Hovey, Megan; Ho, Hung -An; Jana, Barun; Lampland, Nicole L.; Ellern, Arkady; Sadow, Aaron D.

    2015-11-25

    Here, a new class of cyclopentadiene-bis(oxazoline) compounds and their piano-stool-type organometallic complexes have been prepared as catalysts for hydroamination of aminoalkenes. The two compounds MeC(OxMe2)2C5H5 (BoMCpH; OxMe2 = 4,4-dimethyl-2-oxazoline) and MeC(OxMe2)2C5Me4H (BoMCptetH) are synthesized from C5R4HI (R = H, Me) and MeC(OxMe2)2Li. These cyclopentadiene-bis(oxazolines) are converted into ligands that support a variety of metal centers in piano-stool-type geometries, and here we report the preparation of Mg, Tl, Ti, and Zr compounds. BoMCpH and BoMCptetH react with MgMe2(O2C4H8)2 to give the magnesium methyl complexes {BoMCp}MgMe and {BoMCptet}MgMe. BoMCpH and BoMCptetH are converted to BoMCpTl and BoMCptetTl by reaction with TlOEt. Themore » thallium derivatives react with TiCl3(THF)3 to provide [{BoMCp}TiCl(μ-Cl)]2 and [{BoMCptet}TiCl(μ-Cl)]2, the former of which is crystallographically characterized as a dimeric species. BoMCpH and Zr(NMe2)4 react to eliminate dimethylamine and afford {BoMCp}Zr(NMe2)3, which is crystallographically characterized as a monomeric four-legged piano-stool compound. {BoMCp}Zr(NMe2)3, {BoMCp}MgMe, and {BoMCptet}MgMe are efficient catalysts for the hydroamination/cyclization of aminoalkenes under mild conditions.« less

  12. Methanol Oxidative Dehydrogenation on Oxide Catalysts: Molecular and Dissociative Routes and Hydrogen Addition Energies as Descriptors of Reactivity

    SciTech Connect (OSTI)

    Deshlahra, Prashant; Iglesia, Enrique

    2014-11-13

    The oxidative dehydrogenation (ODH) of alkanols on oxide catalysts is generally described as involving H-abstraction from alkoxy species formed via OH dissociation. Kinetic and isotopic data cannot discern between such routes and those involving kinetically-relevant H-abstraction from undissociated alkanols. Here, we combine such experiments with theoretical estimates of activation energies and entropies to show that the latter molecular routes prevail over dissociative routes for methanol reactions on polyoxometalate (POM) clusters at all practical reaction temperatures. The stability of the late transition states that mediate H-abstraction depend predominantly on the stability of the OH bond formed, making H-addition energies (HAE) accurate and single-valued descriptors of reactivity. Density functional theory-derived activation energies depend linearly on HAE values at each O-atom location on clusters with a range of composition (H3PMo12, H4SiMo12, H3PW12, H4PV1Mo11, and H4PV1W11); both barriers and HAE values reflect the lowest unoccupied molecular orbital energy of metal centers that accept the electron and the protonation energy of O-atoms that accept the proton involved in the H-atom transfer. Bridging O-atoms form OH bonds that are stronger than those of terminal atoms and therefore exhibit more negative HAE values and higher ODH reactivity on all POM clusters. For each cluster composition, ODH turnover rates reflect the reactivity-averaged HAE of all accessible O-atoms, which can be evaluated for each cluster composition to provide a rigorous and accurate predictor of ODH reactivity for catalysts with known structure. These relations together with oxidation reactivity measurements can then be used to estimate HAE values and to infer plausible structures for catalysts with uncertain active site structures.

  13. Reducible oxide based catalysts

    DOE Patents [OSTI]

    Thompson, Levi T.; Kim, Chang Hwan; Bej, Shyamal K.

    2010-04-06

    A catalyst is disclosed herein. The catalyst includes a reducible oxide support and at least one noble metal fixed on the reducible oxide support. The noble metal(s) is loaded on the support at a substantially constant temperature and pH.

  14. Stabilized chromium oxide film

    DOE Patents [OSTI]

    Nyaiesh, A.R.; Garwin, E.L.

    1986-08-04

    Stabilized air-oxidized chromium films deposited on high-power klystron ceramic windows and sleeves having a thickness between 20 and 150A are useful in lowering secondary electron emission yield and in avoiding multipactoring and window failure due to overheating. The ceramic substrate for the film is chosen from alumina, sapphire or beryllium oxide.

  15. Stabilized chromium oxide film

    DOE Patents [OSTI]

    Garwin, Edward L.; Nyaiesh, Ali R.

    1988-01-01

    Stabilized air-oxidized chromium films deposited on high-power klystron ceramic windows and sleeves having a thickness between 20 and 150.ANG. are useful in lowering secondary electron emission yield and in avoiding multipactoring and window failure due to overheating. The ceramic substrate for the film is chosen from alumina, sapphire or beryllium oxide.

  16. Observation of localized states in atomically thin MoS{sub 2} field effect transistor

    SciTech Connect (OSTI)

    Ghatak, Subhamoy; Pal, Atindra Nath; Ghosh, Arindam

    2013-12-04

    We present electrical transport and low frequency (1/f) noise measurements on mechanically exfoliated single, bi and trilayer MoS{sub 2}-based FET devices on Si/SiO{sub 2} substrate. We find that the electronic states in MoS{sub 2} are localized at low temperatures (T) and conduction happens through variable range hopping (VRH). A steep increase of 1/f noise with decreasing T, typical for localized regime was observed in all of our devices. From gate voltage dependence of noise, we find that the noise power is inversely proportional to square of the number density (? 1/n{sup 2}) for a wide range of T, indicating number density fluctuations to be the dominant source of 1/f noise in these MoS{sub 2} FETs.

  17. Thermal stability of fission gas bubble superlattice in irradiated U10Mo fuel

    SciTech Connect (OSTI)

    Gan, J.; Keiser, D. D.; Miller, B. D.; Robinson, A. B.; Wachs, D. M.; Meyer, M. K.

    2015-09-01

    To investigate the thermal stability of the fission gas bubble superlattice, a key microstructural feature in both irradiated U-7Mo dispersion and U-10Mo monolithic fuel plates, a FIB-TEM sample of the irradiated U-10Mo fuel with a local fission density of 3.51021 fissions/cm3 was used for an in-situ heating TEM experiment. The temperature of the heating holder was raised at a ramp rate of approximately 10 C/min up to ~700 C, kept at that temperature for about 34 min, continued to 850 C with a reduced rate of 5 C/min. The result shows a high thermal stability of the fission gas bubble superlattice. The implication of this observation on the fuel microstructural evolution and performance under irradiation is discussed.

  18. Controlling the metal to semiconductor transition of MoS2 and WS2 in solution

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

    Chou, Stanley Shihyao; Yi-Kai Huang; Kim, Jaemyung; Kaehr, Bryan James; Foley, Brian M.; Lu, Ping; Conner Dykstra; Hopkins, Patrick E.; Brinker, C. Jeffrey; Jiaxing Huang; et al

    2015-01-22

    Lithiation-exfoliation produces single to few-layered MoS2 and WS2 sheets dispersible in water. However, the process transforms them from the pristine semiconducting 2H phase to a distorted metallic phase. Recovery of the semiconducting properties typically involves heating of the chemically exfoliated sheets at elevated temperatures. Therefore, it has been largely limited to sheets deposited on solid substrates. We report the dispersion of chemically exfoliated MoS2 sheets in high boiling point organic solvents enabled by surface functionalization and the controllable recovery of their semiconducting properties directly in solution. Ultimately, this process connects the scalability of chemical exfoliation with the simplicity of solutionmore » processing, enabling a facile method for tuning the metal to semiconductor transitions of MoS2 and WS2 within a liquid medium.« less

  19. Electronic and magnetic properties of Mo doped graphene; full potential approach

    SciTech Connect (OSTI)

    Thakur, Jyoti Kashyap, Manish K.; Singh, Mukhtiyar; Saini, Hardev S.

    2015-05-15

    The electronic and magnetic properties of Pristine and Mo doped Graphene have been calculated using WIEN2k implementation of full potential linearized augmented plane wave (FPLAPW) method based on Density Functional Theory (DFT). The exchange and correlation (XC) effects were taken into account by generalized gradient approximation (GGA). The calculated results show that Mo doping creates magnetism in Graphene by shifting the energy levels at E{sub F} and opens up a channel for Graphene to be used in real nanoscale device applications. The unpaired d-electrons of Mo atom are responsible for induced magnetism in Graphene. Magnetic ordering created in Graphene in this way makes it suitable for recording media, magnetic sensors, magnetic inks and spintronic devices.

  20. Exciton-dominant electroluminescence from a diode of monolayer MoS{sub 2}

    SciTech Connect (OSTI)

    Ye, Yu; Ye, Ziliang; Gharghi, Majid; Zhu, Hanyu; Wang, Yuan; Zhao, Mervin; Yin, Xiaobo; Zhang, Xiang

    2014-05-12

    In two-dimensional monolayer MoS{sub 2}, excitons dominate the absorption and emission properties. However, the low electroluminescent efficiency and signal-to-noise ratio limit our understanding of the excitonic behavior of electroluminescence. Here, we study the microscopic origin of the electroluminescence from a diode of monolayer MoS{sub 2} fabricated on a heavily p-type doped silicon substrate. Direct and bound-exciton related recombination processes are identified from the electroluminescence. At a high electron-hole pair injection rate, Auger recombination of the exciton-exciton annihilation of the bound exciton emission is observed at room temperature. Moreover, the efficient electrical injection demonstrated here allows for the observation of a higher energy exciton peak of 2.255?eV in the monolayer MoS{sub 2} diode, attributed to the excited exciton state of a direct-exciton transition.

  1. Effects of high temperature surface oxides on room temperature aqueous corrosion and environmental embrittlement of iron aluminides

    SciTech Connect (OSTI)

    Buchanan, R.A.; Perrin, R.L.

    1996-09-01

    Studies were conducted to determine the effects of high-temperature surface oxides, produced during thermomechanical processing, heat treatment (750 {degrees}C in air, one hour) or simulated in-service-type oxidation (1000{degrees}C in air, 24 hours) on the room-temperature aqueous-corrosion and environmental-embrittlement characteristics of iron aluminides. Materials evaluated included the Fe{sub 3}Al-based iron aluminides, FA-84, FA-129, FAL and FAL-Mo, a FeAl-based iron aluminide, FA-385, and a disordered low-aluminum Fe-Al alloy, FAPY. Tests were performed in a mild acid-chloride solution to simulate aggressive atmospheric corrosion. Cyclic-anodic-polarization tests were employed to evaluate resistances to localized aqueous corrosion. The high-temperature oxide surfaces consistently produced detrimental results relative to mechanically or chemically cleaned surfaces. Specifically, the pitting corrosion resistances were much lower for the as-processed and 750{degrees} C surfaces, relative to the cleaned surfaces, for FA-84, FA-129, FAL-Mo, FA-385 and FAPY. Furthermore, the pitting corrosion resistances were much lower for the 1000{degrees}C surfaces, relative to cleaned surfaces, for FA-129, FAL and FAL-Mo.

  2. Thermal aging modeling and validation on the Mo containing Fe-Cr-Ni alloys

    SciTech Connect (OSTI)

    Yang, Ying; Tan, Lizhen; Busby, Jeremy T.

    2015-04-01

    Thermodynamics of intermetallic phases in Fe-rich Fe-Cr-Ni-Mo alloys is critical knowledge to understand thermal aging effect on the phase stability of Mo-containing austenitic steels, which subsequently facilitates alloy design/improvement and degradation mitigation of these materials for reactor applications. Among the intermetallic phases, Chi (χ), Laves, and Sigma (σ) are often of concern because of their tendency to cause embrittlement of the materials. The focus of this study is thermal stability of the Chi and Laves phases as they were less studied compared to the Sigma phase. Coupled with thermodynamic modeling, thermal stability of intermetallic phases in Mo containing Fe-Cr-Ni alloys was investigated at 1000, 850 and 700 C for different annealing times. The morphologies, compositions and crystal structures of the precipitates of the intermetallic phases were carefully examined by scanning electron microscopy, electron probe microanalysis, X-ray diffraction, and transmission electron microscopy. Three key findings resulted from this study. First, the Chi phase is stable at high temperature, and with decreasing temperature it transforms into the Laves phase that is stable at low temperature. Secondly, Cr, Mo, Ni are soluble in both the Chi and Laves phases, with the solubility of Mo playing a major role in the relative stability of the intermetallic phases. Thirdly, in situ transformation from Chi phase to Laves phase was directly observed, which increased the local strain field, generated dislocations in the intermetallic phases, and altered the precipitate phase orientation relationship with the austenitic matrix. The thermodynamic models that were developed and validated were then applied to evaluating the effect of Mo on the thermal stability of intermetallic phases in type 316 and NF709 stainless steels.

  3. Two-step growth of two-dimensional WSe2/MoSe2 heterostructures

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

    Gong, Yongji; Lei, Sidong; Lou, Jun; Liu, Zheng; Vajtai, Robert; Zhou, Wu; Ajayan, Pullikel M.

    2015-08-03

    Two dimensional (2D) materials have attracted great attention due to their unique properties and atomic thickness. Although various 2D materials have been successfully synthesized with different optical and electrical properties, a strategy for fabricating 2D heterostructures must be developed in order to construct more complicated devices for practical applications. Here we demonstrate for the first time a two-step chemical vapor deposition (CVD) method for growing transition-metal dichalcogenide (TMD) heterostructures, where MoSe2 was synthesized first and followed by an epitaxial growth of WSe2 on the edge and on the top surface of MoSe2. Compared to previously reported one-step growth methods, thismore » two-step growth has the capability of spatial and size control of each 2D component, leading to much larger (up to 169 μm) heterostructure size, and cross-contamination can be effectively minimized. Furthermore, this two-step growth produces well-defined 2H and 3R stacking in the WSe2/MoSe2 bilayer regions and much sharper in-plane interfaces than the previously reported MoSe2/WSe2 heterojunctions obtained from one-step growth methods. The resultant heterostructures with WSe2/MoSe2 bilayer and the exposed MoSe2 monolayer display rectification characteristics of a p-n junction, as revealed by optoelectronic tests, and an internal quantum efficiency of 91% when functioning as a photodetector. As a result, a photovoltaic effect without any external gates was observed, showing incident photon to converted electron (IPCE) efficiencies of approximately 0.12%, providing application potential in electronics and energy harvesting.« less

  4. SEM and TEM Characterization of As-Fabricated U-7Mo Disperson Fuel Plates

    SciTech Connect (OSTI)

    D. D. Keiser, Jr.; B. Yao; E. Perez; Y. H. Sohn

    2009-11-01

    The starting microstructure of a dispersion fuel plate can have a dramatic impact on the overall performance of the plate during irradiation. To improve the understanding of the as-fabricated microstructures of dispersion fuel plates, SEM and TEM analysis have been performed on RERTR-9A archive fuel plates, which went through an additional hot isostatic procsssing (HIP) step during fabrication. The fuel plates had depleted U-7Mo fuel particles dispersed in either Al-2Si or 4043 Al alloy matrix. For the characterized samples, it was observed that a large fraction of the ?-phase U-7Mo alloy particles had decomposed during fabrication, and in areas near the fuel/matrix interface where the transformation products were present significant fuel/matrix interaction had occurred. Relatively thin Si-rich interaction layers were also observed around the U-7Mo particles. In the thick interaction layers, (U)(Al,Si)3 and U6Mo4Al43 were identified, and in the thin interaction layers U(Al,Si)3, U3Si3Al2, U3Si5, and USi1.88-type phases were observed. The U3Si3Al2 phase contained some Mo. Based on the results of this work, exposure of dispersion fuel plates to relatively high temperatures during fabrication impacts the overall microstructure, particularly the nature of the interaction layers around the fuel particles. The time and temperature of fabrication should be carefully controlled in order to produce the most uniform Si-rich layers around the U-7Mo particles.

  5. Electrical and photovoltaic characteristics of MoS{sub 2}/Si p-n junctions

    SciTech Connect (OSTI)

    Hao, Lanzhong Liu, Yunjie Gao, Wei; Han, Zhide; Xue, Qingzhong; Zeng, Huizhong; Wu, Zhipeng; Zhu, Jun; Zhang, Wanli

    2015-03-21

    Bulk-like molybdenum disulfide (MoS{sub 2}) thin films were deposited on the surface of p-type Si substrates using dc magnetron sputtering technique and MoS{sub 2}/Si p-n junctions were formed. The vibrating modes of E{sup 1}{sub 2g} and A{sub 1g} were observed from the Raman spectrum of the MoS{sub 2} films. The current density versus voltage (J-V) characteristics of the junction were investigated. A typical J-V rectifying effect with a turn-on voltage of 0.2?V was shown. In different voltage range, the electrical transporting of the junction was dominated by diffusion current and recombination current, respectively. Under the light illumination of 15?mW?cm{sup ?2}, the p-n junction exhibited obvious photovoltaic characteristics with a short-circuit current density of 3.2?mA?cm{sup ?2} and open-circuit voltage of 0.14?V. The fill factor and energy conversion efficiency were 42.4% and 1.3%, respectively. According to the determination of the Fermi-energy level (?4.65?eV) and energy-band gap (?1.45?eV) of the MoS{sub 2} films by capacitance-voltage curve and ultraviolet-visible transmission spectra, the mechanisms of the electrical and photovoltaic characteristics were discussed in terms of the energy-band structure of the MoS{sub 2}/Si p-n junctions. The results hold the promise for the integration of MoS{sub 2} thin films with commercially available Si-based electronics in high-efficient photovoltaic devices.

  6. Site-dependent free energy barrier for proton reduction on MoS2 edges

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect Site-dependent free energy barrier for proton reduction on MoS2 edges Citation Details In-Document Search Title: Site-dependent free energy barrier for proton reduction on MoS2 edges Authors: Choi, W ; Wood, B C ; Schwegler, E ; Ogitsu, T Publication Date: 2013-05-30 OSTI Identifier: 1113397 Report Number(s): LLNL-JRNL-639087 DOE Contract Number: W-7405-ENG-48 Resource Type: Journal Article Resource Relation: Journal Name: Journal of Physical Chemistry C,

  7. Surface confined quantum well state in MoS{sub 2}(0001) thin film (Journal

    Office of Scientific and Technical Information (OSTI)

    Article) | SciTech Connect Surface confined quantum well state in MoS{sub 2}(0001) thin film Citation Details In-Document Search Title: Surface confined quantum well state in MoS{sub 2}(0001) thin film Surface confined quantum well state (scQWS) is a QWS confined around the surface of a thin film whose electronic energy is smaller than the work function of the film. The scQWS is rather rare in most thin films. Here, we show the existence of scQWS in thin films of transition metal

  8. Primary arm spacing in chill block melt spun Ni-Mo alloys

    SciTech Connect (OSTI)

    Tewari, S.N.; Glasgow, T.K.

    1986-01-01

    Chill block melt spun ribbons of Ni-Mo binary alloys containing 8.0 to 41.8 wt % Mo have been prepared under carefully controlled processing conditions. The growth velocity has been determined as a function of distance from the quench surface from the observed ribbon thickness dependence on the melt puddle residence time. Primary arm spacings measured at the midribbon thickness locations show a dependence on growth velocity and alloy composition which is expected from dendritic growth models for binary alloys directionally solidified in a positive temperature gradient.

  9. Neutrino-nucleus scattering of {sup 95,97}Mo and {sup 116}Cd

    SciTech Connect (OSTI)

    Ydrefors, E.; Almosly, W.; Suhonen, J.

    2013-12-30

    Accurate knowledge about the nuclear responses to supernova neutrinos for relevant nuclear targets is important both for neutrino detection and for astrophysical applications. In this paper we discuss the cross sections for the charged-current neutrino-nucleus scatterings off {sup 95,97}Mo and {sup 116}Cd. The microscopic quasiparticle-phonon model is adopted for the odd-even nuclei {sup 95,97}Mo. In the case of {sup 116}Cd we present cross sections both for the Bonn one-boson-exchange potential and self-consistent calculations based on modern Skyrme interactions.

  10. Thickness-dependent charge transport in few-layer MoS 2 field-effect

    Office of Scientific and Technical Information (OSTI)

    transistors (Journal Article) | SciTech Connect Thickness-dependent charge transport in few-layer MoS 2 field-effect transistors Citation Details In-Document Search This content will become publicly available on March 10, 2017 Title: Thickness-dependent charge transport in few-layer MoS 2 field-effect transistors Authors: Lin, Ming-Wei ; Kravchenko, Ivan I. ; Fowlkes, Jason ; Li, Xufan ; Puretzky, Alexander A. ; Rouleau, Christopher M. ; Geohegan, David B. ; Xiao, Kai Publication Date:

  11. Persistent photoconductivity in two-dimensional Mo1-xW xSe2–MoSe2 van der Waals heterojunctions

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

    Puretzky, Alexander A.; Basile, Leonardo; Idrobo, Juan Carlos; Rouleau, Christopher M.; Geohegan, David B.; Xiao, Kai; Li, Xufan; Lin, Ming -Wei; Wang, Kei

    2016-02-16

    Van der Waals (vdW) heterojunctions consisting of vertically-stacked individual or multiple layers of two-dimensional (2D) layered semiconductors, especially the transition metal dichalcogenides (TMDs), are fascinating new artificial solids just nanometers-thin that promise novel optoelectronic functionalities due to the sensitivity of their electronic and optical properties to strong quantum confinement and interfacial interactions. Here, monolayers of n-type MoSe2 and p-type Mo1-xW xSe2–MoSe2 are grown by vapor transport methods, then transferred and stamped to form artificial vdW heterostructures with different interlayer orientations. Atomic-resolution Z-contrast electron microscopy and electron diffraction are used to characterize both the individual monolayers and the atomic registry betweenmore » layers in the bilayer vdW heterostructures. These measurements are compared with photoluminescence and low-frequency Raman spectroscopy, which indicates strong interlayer coupling in heterostructures. Remarkably, the heterojunctions exhibit an unprecedented photoconductivity effect that persists at room temperature for several days. This persistent photoconductivity is shown to be tunable by applying a gate bias that equilibrates the charge distribution. Furthermore, these measurements indicate that such ultrathin vdW heterojunctions can function as rewritable optoelectronic switches or memory elements under time-dependent photo-illumination, an effect which appears promising for new monolayer TMDs-based optoelectronic devices applications.« less

  12. Role of stoichiometric ratio of components during the formation of oxide and hydroxide layers on aluminum in oxoanion solutions

    SciTech Connect (OSTI)

    Mikhailovskii, Y.N.; Derdzenishvili, G.A.

    1986-07-01

    This paper investigates the corrosion-electrochemical behavior of aluminum in chloride-fluoride solutions containing oxoanions of the oxidizing type (CrO/sup 2 -//sub 4/, MnO/sup -//sub 4/, MoO/sup 2 -//sub 4/, VO/sup 3 -//sub 4/, WO/sup 2 -//sub 4/). It is shown that, depending on the ratio of the concentrations of the oxoanions and hydroxonium ions, the oxidizing agent may activate or inhibit the corrosion process on the metal. The conditions of formation of surface phases is studied, which can impart good protective properties (conversion coatings), on aluminum during its self-solution.

  13. In situ XANES Spectroscopic Investigation of the Pre-Reduction of Iron-Based Catalysts for Non-Oxidative Alkane Dehydrogenation

    SciTech Connect (OSTI)

    Huggins, F.; Shen, W; Cprek, N; Shah, N; Marinkovic, N; Huffman, G

    2008-01-01

    The reduction in a methane atmosphere of two as-prepared ferric oxide catalysts for the non-oxidative dehydrogenation of alkanes has been investigated by in situ X-ray absorption near-edge structure (XANES) spectroscopy using a novel X-ray transmission reaction cell. The two catalysts were prepared by different synthesis methods (incipient wetness and nanoparticle impregnation) and were supported on Al-substituted magnesium oxide obtained by decomposition of a synthetic hydrotalcite. The reduction of the ferric oxides by methane was followed by iron XANES spectroscopy at temperatures up to 650 C complemented by a residual gas analyzer (RGA) used to track changes in the product gas. Results showed that the ferric oxides in the two catalysts underwent a stepwise reduction to first ferrous oxide, releasing mainly H{sub 2}O in the case of the nanoparticle catalyst but H{sub 2} and CO in the case of the incipient wetness formulation at temperatures between 200 and 550 C, and then more slowly to metallic iron at higher temperatures. Reaction of the ferrous oxide with the support to form magnesiowstite also occurred in conjunction with the reduction. This in situ investigation confirms that metallic iron is the active catalytic phase for alkane dehydrogenation and that observations of ferric iron in samples investigated at room temperature after reduction and reaction are most likely due to re-oxidation of the iron in the catalyst upon exposure to air rather than incomplete reduction of the original ferric iron in the catalyst.

  14. NEPTUNIUM OXIDE PROCESSING

    SciTech Connect (OSTI)

    Jordan, J; Watkins, R; Hensel, S

    2009-05-27

    The Savannah River Site's HB-Line Facility completed a campaign in which fifty nine cans of neptunium oxide were produced and shipped to the Idaho National Laboratory in the 9975 shipping container. The neptunium campaign was divided into two parts: Part 1 which consisted of oxide made from H-Canyon neptunium solution which did not require any processing prior to conversion into an oxide, and Part 2 which consisted of oxide made from additional H-Canyon neptunium solutions which required processing to purify the solution prior to conversion into an oxide. The neptunium was received as a nitrate solution and converted to oxide through ion-exchange column extraction, precipitation, and calcination. Numerous processing challenges were encountered in order make a final neptunium oxide product that could be shipped in a 9975 shipping container. Among the challenges overcome was the issue of scale: translating lab scale production into full facility production. The balance between processing efficiency and product quality assurance was addressed during this campaign. Lessons learned from these challenges are applicable to other processing projects.

  15. Influence of uranium hydride oxidation on uranium metal behaviour

    SciTech Connect (OSTI)

    Patel, N.; Hambley, D.; Clarke, S.A.; Simpson, K.

    2013-07-01

    This work addresses concerns that the rapid, exothermic oxidation of active uranium hydride in air could stimulate an exothermic reaction (burning) involving any adjacent uranium metal, so as to increase the potential hazard arising from a hydride reaction. The effect of the thermal reaction of active uranium hydride, especially in contact with uranium metal, does not increase in proportion with hydride mass, particularly when considering large quantities of hydride. Whether uranium metal continues to burn in the long term is a function of the uranium metal and its surroundings. The source of the initial heat input to the uranium, if sufficient to cause ignition, is not important. Sustained burning of uranium requires the rate of heat generation to be sufficient to offset the total rate of heat loss so as to maintain an elevated temperature. For dense uranium, this is very difficult to achieve in naturally occurring circumstances. Areas of the uranium surface can lose heat but not generate heat. Heat can be lost by conduction, through contact with other materials, and by convection and radiation, e.g. from areas where the uranium surface is covered with a layer of oxidised material, such as burned-out hydride or from fuel cladding. These rates of heat loss are highly significant in relation to the rate of heat generation by sustained oxidation of uranium in air. Finite volume modelling has been used to examine the behaviour of a magnesium-clad uranium metal fuel element within a bottle surrounded by other un-bottled fuel elements. In the event that the bottle is breached, suddenly, in air, it can be concluded that the bulk uranium metal oxidation reaction will not reach a self-sustaining level and the mass of uranium oxidised will likely to be small in relation to mass of uranium hydride oxidised. (authors)

  16. Multifunctional oxides for integrated manufacturing of efficient graphene electrodes for organic electronics

    SciTech Connect (OSTI)

    Kidambi, Piran R.; Robertson, John; Hofmann, Stephan; Weijtens, Christ; Meyer, Jens

    2015-02-09

    Using multi-functional oxide films, we report on the development of an integration strategy for scalable manufacturing of graphene-based transparent conducting electrodes (TCEs) for organic electronics. A number of fundamental and process challenges exists for efficient graphene-based TCEs, in particular, environmentally and thermally stable doping, interfacial band engineering for efficient charge injection/extraction, effective wetting, and process compatibility including masking and patterning. Here, we show that all of these challenges can be effectively addressed at once by coating graphene with a thin (>10 nm) metal oxide (MoO{sub 3} or WO{sub 3}) layer. We demonstrate graphene electrode patterning without the need for conventional lithography and thereby achieve organic light emitting diodes with efficiencies exceeding those of standard indium tin oxide reference devices.

  17. Band gap tuning in transition metal oxides by site-specific substitution

    DOE Patents [OSTI]

    Lee, Ho Nyung; Chisholm, Jr., Matthew F; Jellison, Jr., Gerald Earle; Singh, David J; Choi, Woo Seok

    2013-12-24

    A transition metal oxide insulator composition having a tuned band gap includes a transition metal oxide having a perovskite or a perovskite-like crystalline structure. The transition metal oxide includes at least one first element selected form the group of Bi, Ca, Ba, Sr, Li, Na, Mg, K, Pb, and Pr; and at least one second element selected from the group of Ti, Al, V, Cr, Mn, Fe, Co, Ni, Cu, Zr, Nb, Mo, Ru, Rh, Hf, Ta, W, Re, Os, Ir, and Pt. At least one correlated insulator is integrated into the crystalline structure, including REMO.sub.3, wherein RE is at least one Rare Earth element, and wherein M is at least one element selected from the group of Co, V, Cr, Ni, Mn, and Fe. The composition is characterized by a band gap of less of 4.5 eV.

  18. Mixed Oxide Fuel Fabrication Facility

    National Nuclear Security Administration (NNSA)

    0%2A en Mixed Oxide (MOX) Fuel Fabrication Facility http:nnsa.energy.govfieldofficessavannah-river-field-officemixed-oxide-mox-fuel-fabrication-facility

  19. Cyclopentadienyl-bis(oxazoline) magnesium and zirconium complexes in aminoalkene hydroaminations

    SciTech Connect (OSTI)

    Eedugurala, Naresh; Hovey, Megan; Ho, Hung -An; Jana, Barun; Lampland, Nicole L.; Ellern, Arkady; Sadow, Aaron D.

    2015-11-25

    Here, a new class of cyclopentadiene-bis(oxazoline) compounds and their piano-stool-type organometallic complexes have been prepared as catalysts for hydroamination of aminoalkenes. The two compounds MeC(OxMe2)2C5H5 (BoMCpH; OxMe2 = 4,4-dimethyl-2-oxazoline) and MeC(OxMe2)2C5Me4H (BoMCptetH) are synthesized from C5R4HI (R = H, Me) and MeC(OxMe2)2Li. These cyclopentadiene-bis(oxazolines) are converted into ligands that support a variety of metal centers in piano-stool-type geometries, and here we report the preparation of Mg, Tl, Ti, and Zr compounds. BoMCpH and BoMCptetH react with MgMe2(O2C4H8)2 to give the magnesium methyl complexes {BoMCp}MgMe and {BoMCptet}MgMe. BoMCpH and BoMCptetH are converted to BoMCpTl and BoMCptetTl by reaction with TlOEt. The thallium derivatives react with TiCl3(THF)3 to provide [{BoMCp}TiCl(μ-Cl)]2 and [{BoMCptet}TiCl(μ-Cl)]2, the former of which is crystallographically characterized as a dimeric species. BoMCpH and Zr(NMe2)4 react to eliminate dimethylamine and afford {BoMCp}Zr(NMe2)3, which is crystallographically characterized as a monomeric four-legged piano-stool compound. {BoMCp}Zr(NMe2)3, {BoMCp}MgMe, and {BoMCptet}MgMe are efficient catalysts for the hydroamination/cyclization of aminoalkenes under mild conditions.

  20. Atomistic modeling of nanowires, small-scale fatigue damage in cast magnesium, and materials for MEMS.

    SciTech Connect (OSTI)

    Dunn, Martin L.; Talmage, Mellisa J.; McDowell, David L., 1956- (,-Georgia Institute of Technology, Atlanta, GA); West, Neil (University of Colorado, Boulder, CO); Gullett, Philip Michael (Mississippi State University , MS); Miller, David C. (University of Colorado, Boulder, CO); Spark, Kevin (University of Colorado, Boulder, CO); Diao, Jiankuai (University of Colorado, Boulder, CO); Horstemeyer, Mark F. (Mississippi State University , MS); Zimmerman, Jonathan A.; Gall, K

    2006-10-01

    Lightweight and miniaturized weapon systems are driving the use of new materials in design such as microscale materials and ultra low-density metallic materials. Reliable design of future weapon components and systems demands a thorough understanding of the deformation modes in these materials that comprise the components and a robust methodology to predict their performance during service or storage. Traditional continuum models of material deformation and failure are not easily extended to these new materials unless microstructural characteristics are included in the formulation. For example, in LIGA Ni and Al-Si thin films, the physical size is on the order of microns, a scale approaching key microstructural features. For a new potential structural material, cast Mg offers a high stiffness-to-weight ratio, but the microstructural heterogeneity at various scales requires a structure-property continuum model. Processes occurring at the nanoscale and microscale develop certain structures that drive material behavior. The objective of the work presented in this report was to understand material characteristics in relation to mechanical properties at the nanoscale and microscale in these promising new material systems. Research was conducted primarily at the University of Colorado at Boulder to employ tightly coupled experimentation and simulation to study damage at various material size scales under monotonic and cyclic loading conditions. Experimental characterization of nano/micro damage will be accomplished by novel techniques such as in-situ environmental scanning electron microscopy (ESEM), 1 MeV transmission electron microscopy (TEM), and atomic force microscopy (AFM). New simulations to support experimental efforts will include modified embedded atom method (MEAM) atomistic simulations at the nanoscale and single crystal micromechanical finite element simulations. This report summarizes the major research and development accomplishments for the LDRD project titled 'Atomistic Modeling of Nanowires, Small-scale Fatigue Damage in Cast Magnesium, and Materials for MEMS'. This project supported a strategic partnership between Sandia National Laboratories and the University of Colorado at Boulder by providing funding for the lead author, Ken Gall, and his students, while he was a member of the University of Colorado faculty.

  1. Single-layer MoS{sub 2} roughness and sliding friction quenching by interaction with atomically flat substrates

    SciTech Connect (OSTI)

    Quereda, J.; Castellanos-Gomez, A.; Agrat, N.; Rubio-Bollinger, G.

    2014-08-04

    We experimentally study the surface roughness and the lateral friction force in single-layer MoS{sub 2} crystals deposited on different substrates: SiO{sub 2}, mica, and hexagonal boron nitride (h-BN). Roughness and sliding friction measurements are performed by atomic force microscopy. We find a strong dependence of the MoS{sub 2} roughness on the underlying substrate material, being h-BN the substrate which better preserves the flatness of the MoS{sub 2} crystal. The lateral friction also lowers as the roughness decreases, and attains its lowest value for MoS{sub 2} flakes on h-BN substrates. However, it is still higher than for the surface of a bulk MoS{sub 2} crystal, which we attribute to the deformation of the flake due to competing tip-to-flake and flake-to-substrate interactions.

  2. Equation of state of bcc-Mo by static volume compression to 410 GPa

    SciTech Connect (OSTI)

    Akahama, Yuichi; Hirao, Naohisa; Ohishi, Yasuo; Singh, Anil K.

    2014-12-14

    Unit cell volumes of Mo and Pt have been measured simultaneously to ≈400 GPa by x-ray powder diffraction using a diamond anvil cell and synchrotron radiation source. The body-centered cubic (bcc) phase of Mo was found to be stable up to 410 GPa. The equation of state (EOS) of bcc-Mo was determined on the basis of Pt pressure scale. A fit of Vinet EOS to the volume compression data gave K{sub 0} = 262.3(4.6) GPa, K{sub 0}′ = 4.55(16) with one atmosphere atomic volume V{sub 0} = 31.155(24) A{sup 3}. The EOS was in good agreement with the previous ultrasonic data within pressure difference of 2.5%–3.3% in the multimegabar range, though the EOS of Mo proposed from a shock compression experiment gave lower pressure by 7.2%–11.3% than the present EOS. The agreement would suggest that the Pt pressure scale provides an accurate pressure value in an ultra-high pressure range.

  3. MoS{sub 2} functionalization for ultra-thin atomic layer deposited dielectrics

    SciTech Connect (OSTI)

    Azcatl, Angelica; McDonnell, Stephen; Santosh, K.C.; Peng, Xin; Dong, Hong; Qin, Xiaoye; Addou, Rafik; Lu, Ning; Kim, Moon J.; Cho, Kyeongjae; Wallace, Robert M.; Mordi, Greg I.; Kim, Jiyoung

    2014-03-17

    The effect of room temperature ultraviolet-ozone (UV-O{sub 3}) exposure of MoS{sub 2} on the uniformity of subsequent atomic layer deposition of Al{sub 2}O{sub 3} is investigated. It is found that a UV-O{sub 3} pre-treatment removes adsorbed carbon contamination from the MoS{sub 2} surface and also functionalizes the MoS{sub 2} surface through the formation of a weak sulfur-oxygen bond without any evidence of molybdenum-sulfur bond disruption. This is supported by first principles density functional theory calculations which show that oxygen bonded to a surface sulfur atom while the sulfur is simultaneously back-bonded to three molybdenum atoms is a thermodynamically favorable configuration. The adsorbed oxygen increases the reactivity of MoS{sub 2} surface and provides nucleation sites for atomic layer deposition of Al{sub 2}O{sub 3}. The enhanced nucleation is found to be dependent on the thin film deposition temperature.

  4. Magnetic Force Microscopy Study of Zr2Co11 -Based Nanocrystalline Materials: Effect of Mo Addition

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

    Yue, Lanping; Jin, Yunlong; Zhang, Wenyong; Sellmyer, David J.

    2015-01-01

    Tmore » he addition of Molybdenum was used to modify the nanostructure and enhance coercivity of rare-earth-free Zr2Co11-based nanocrystalline permanent magnets. he effect of Mo addition on magnetic domain structures of melt spun nanocrystalline Zr16Co84-xMox(x=0, 0.5, 1, 1.5, and 2.0) ribbons has been investigated. It was found that magnetic properties and local domain structures are strongly influenced by Mo doping. he coercivity of the samples increases with the increase in Mo content (x≤1.5). he maximum energy product(BH)maxincreases with increasingxfrom 0.5 MGOe forx=0to a maximum value of 4.2 MGOe forx=1.5. he smallest domain size with a relatively short magnetic correlation length of 128 nm and largest root-mean-square phase shiftΦrmsvalue of 0.66° are observed for thex=1.5. he optimal Mo addition promotes magnetic domain structure refinement and thus leads to a significant increase in coercivity and energy product in this sample.« less

  5. M&O Contract 2008-2013, Alliance for Sustainable Energy, LLC

    Broader source: Energy.gov [DOE]

    Contract No. DE-AC36-08GO28308 M&O Contract 2008-2013, between the Alliance for Sustainable Energy, LLC and the U.S. Department Of Energy. Part I, Section B, Supplies and Services and Price/Costs.

  6. Effect of mechanical strain on electronic properties of bulk MoS{sub 2}

    SciTech Connect (OSTI)

    Kumar, Sandeep Kumar, Jagdish Sastri, O. S. K. S.

    2015-05-15

    Ab-initio density functional theory based calculations of electronic properties of bulk and monolayer Molybdenum di-Sulfide (MoS{sub 2}) have been performed using all electron Full Potential Linearised Augmentad Plane Wave (FPLAPW) method using Elk code. We have used Generalised Gradient Approximation (GGA) for exchange and correlation functionals and performed calculaitons of Lattice parameters, Density Of States (DOS) and Band Structure (BS). Band structure calculations revealed that bulk MoS{sub 2} has indirect band gap of 0.97 eV and mono-layer MoS{sub 2} has direct band gap which has increased to 1.71 eV. These are in better agreement with experimental values as compared with the other calculations using pseudo-potential code. The effect of mechanical strain on the electronic properties of bulk MoS{sub 2} has also been studied. For the different values of compressive strain (varying from 2% to 8% in steps of 2%) along the c-axis, the corresponding DOS and BS are obtained. We observed that the band gap decreases by about 15% for every 2% increase in strain along the c-axis.

  7. EIS-0475: Disposition of the Bannister Federal Complex, Kansas City, MO

    Broader source: Energy.gov [DOE]

    NNSA/DOE announces its intent to prepare an EIS for the disposition of the Bannister Federal Complex, Kansas City, MO. NNSA previously decided in a separate NEPA review (EA-1592) to relocate its operations from the Bannister Federal Complex to a newly constructed industrial campus eight miles from the current location.

  8. Ferromagnetic superexchange in insulating Cr2MoO6 by controlling orbital hybridization

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

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

    2015-09-11

    We report the magnetic and electronic structures of the newly synthesized inverse-trirutile compound Cr2MoO6. Despite the same crystal symmetry and similar bond-lengths and bond-angles to Cr2TeO6, Cr2MoO6 possesses a magnetic structure of the Cr2MoO6 type, different from that seen in Cr2TeO6. Ab-initio electronic structure calculations show that the sign and strength of the Cr-O-Cr exchange coupling is strongly influenced by the hybridization between Mo 4d and O 2p orbitals. This result further substantiates our recently proposed mechanism for tuning the exchange interaction between two magnetic atoms by modifying the electronic states of the non-magnetic atoms in the exchange path throughmore » orbital hybridization. This approach is fundamentally different from the conventional methods of controlling the exchange interaction by either carrier injection or through structural distortions.« less

  9. On the combined gradient-stochastic plasticity model: Application to Mo-micropillar compression

    SciTech Connect (OSTI)

    Konstantinidis, A. A.; Zhang, X.; Aifantis, E. C.

    2015-02-17

    A formulation for addressing heterogeneous material deformation is proposed. It is based on the use of a stochasticity-enhanced gradient plasticity model implemented through a cellular automaton. The specific application is on Mo-micropillar compression, for which the irregularities of the strain bursts observed have been experimentally measured and theoretically interpreted through Tsallis' q-statistics.

  10. Electric contributions to magnetic force microscopy response from graphene and MoS{sub 2} nanosheets

    SciTech Connect (OSTI)

    Li, Lu Hua Chen, Ying

    2014-12-07

    Magnetic force microscopy (MFM) signals have recently been detected from whole pieces of mechanically exfoliated graphene and molybdenum disulfide (MoS{sub 2}) nanosheets, and magnetism of the two nanomaterials was claimed based on these observations. However, non-magnetic interactions or artefacts are commonly associated with MFM signals, which make the interpretation of MFM signals not straightforward. A systematic investigation has been done to examine possible sources of the MFM signals from graphene and MoS{sub 2} nanosheets and whether the MFM signals can be correlated with magnetism. It is found that the MFM signals have significant non-magnetic contributions due to capacitive and electrostatic interactions between the nanosheets and conductive cantilever tip, as demonstrated by electric force microscopy and scanning Kevin probe microscopy analyses. In addition, the MFM signals of graphene and MoS{sub 2} nanosheets are not responsive to reversed magnetic field of the magnetic cantilever tip. Therefore, the observed MFM response is mainly from electric artefacts and not compelling enough to correlate with magnetism of graphene and MoS{sub 2} nanosheets.

  11. Oxidative Tritium Decontamination System

    DOE Patents [OSTI]

    Gentile, Charles A. , Guttadora, Gregory L. , Parker, John J.

    2006-02-07

    The Oxidative Tritium Decontamination System, OTDS, provides a method and apparatus for reduction of tritium surface contamination on various items. The OTDS employs ozone gas as oxidizing agent to convert elemental tritium to tritium oxide. Tritium oxide vapor and excess ozone gas is purged from the OTDS, for discharge to atmosphere or transport to further process. An effluent stream is subjected to a catalytic process for the decomposition of excess ozone to diatomic oxygen. One of two configurations of the OTDS is employed: dynamic apparatus equipped with agitation mechanism and large volumetric capacity for decontamination of light items, or static apparatus equipped with pressurization and evacuation capability for decontamination of heavier, delicate, and/or valuable items.

  12. Metal atom oxidation laser

    DOE Patents [OSTI]

    Jensen, R.J.; Rice, W.W.; Beattie, W.H.

    1975-10-28

    A chemical laser which operates by formation of metal or carbon atoms and reaction of such atoms with a gaseous oxidizer in an optical resonant cavity is described. The lasing species are diatomic or polyatomic in nature and are readily produced by exchange or other abstraction reactions between the metal or carbon atoms and the oxidizer. The lasing molecules may be metal or carbon monohalides or monoxides. (auth)

  13. Metal atom oxidation laser

    DOE Patents [OSTI]

    Jensen, R.J.; Rice, W.W.; Beattie, W.H.

    1975-10-28

    A chemical laser which operates by formation of metal or carbon atoms and reaction of such atoms with a gaseous oxidizer in an optical resonant cavity is described. The lasing species are diatomic or polyatomic in nature and are readily produced by exchange or other abstraction reactions between the metal or carbon atoms and the oxidizer. The lasing molecules may be metal or carbon monohalides or monoxides.

  14. Controlled CO preferential oxidation

    DOE Patents [OSTI]

    Meltser, M.A.; Hoch, M.M.

    1997-06-10

    Method is described for controlling the supply of air to a PROX (PReferential OXidation for CO cleanup) reactor for the preferential oxidation in the presence of hydrogen wherein the concentration of the hydrogen entering and exiting the PROX reactor is monitored, the difference there between correlated to the amount of air needed to minimize such difference, and based thereon the air supply to the PROX reactor adjusted to provide such amount and minimize such difference. 2 figs.

  15. Interaction Layer Characteristics in U-xMo Dispersion/Monolithic Fuels

    SciTech Connect (OSTI)

    D. L. Porter

    2010-11-01

    Published data concerning the interaction layer (IL) formed between U-xMo fuel alloy and aluminum (Al)-based matrix or cladding materials was reviewed, including the effects of silicon (Si) content in the matrix/cladding, molybdenum (Mo) content in the fuel, pre irradiation thermal treatments, irradiation, and test temperature. The review revealed that tests conducted in the laboratory produce results different from those conducted in an irradiation environment. However, the laboratory testing relates well to thermal treatments performed prior to irradiation and helps in understanding the effects that these pre irradiation treatments have on in reactor performance. A pre-formed, Si-enriched IL seems to be important in delaying the onset of rapid growth of fission gas bubbles at low irradaiiation temperatures. Several other conclusions can be drawn: 1. An IL with phases akin to UAl3 is desired for optimum fuel performance, but at low temperatures, and especially in an irradiation atmosphere, the desired (Al+Si)/(U+Mo) ratio of three is difficult to produce. When the fuel operating temperature is low, it is important to create a pre-irradiation IL, enriched in Si. This pre-formed IL is relatively stable, performs well in terms of swelling resistance, and prevents rapid IL growth during irradiation. 2. At higher operating temperatures (>150–170°C), IL formation in reactor may not be so dependent on pre-irradiation IL formation, especially at high burnup; a pre-fabricated IL seems to be less stable at high burnup and high operating temperature. Moreover, the (Al+SI)/(U+Mo) ratio of three occurs more often at higher temperature. For these two reasons, it is important at high operating temperature to also have a matrix with significant Si content to create an IL in reactor with the right characteristics. 3. Out-of-reactor testing seems to indicate that Si in the matrix material is required in some concentration (2%, 5%, ?) to provide for a thin, Si-enriched IL formed before irradiation of a fuel plate. It ensures that the IL contains beneficial phases, or prevents formation of some known to promote poor fuel performance. Significant progress has been made in determining the desired characteristics of the IL. 4. The use of a fuel with stable gamma phase appears to allow more predictable performance regarding both a beneficial pre-irradiation layer, and the fuel performance (low swelling) to high burnup. Destabilization of the gamma phase may create problems with IL breakaway growth. 5. A theory whereby prevention of the U6Mo4Al43 complex phase in interaction layers formed during fabrication may be a key to good irradiation performance. Si additions to the matrix allow for solubility of Mo in the desirable (U,Mo)(Al,Si)3 or perhaps (U,Mo)(Al,Si)4 phase, helping to prevent formation of the complex phase. Keeping alloy Mo content as low as possible may also help so long as decomposition does not occur in fabrication, forcing Mo into the interaction layer. This theory may explain a number of apparent anomalies observed in testing results. 6. More work is needed in order to prescribe the conditions to best produce a beneficial IL. Another necessity is a better understanding of any correlation between beneficial characteristics of the pre-fabricated IL and the irradiation conditions to which it will be subjected.

  16. Modeling of Interaction Layer Growth Between U-Mo Particles and an Al Matrix

    SciTech Connect (OSTI)

    Yeon Soo Kim; G. L. Hofman; Ho Jin Ryu; Jong Man Park; A. B. Robinson; D. M. Wachs

    2013-12-01

    Interaction layer growth between U-Mo alloy fuel particles and Al in a dispersion fuel is a concern due to the volume expansion and other unfavorable irradiation behavior of the interaction product. To reduce interaction layer (IL) growth, a small amount of Si is added to the Al. As a result, IL growth is affected by the Si content in the Al matrix. In order to predict IL growth during fabrication and irradiation, empirical models were developed. For IL growth prediction during fabrication and any follow-on heating process before irradiation, out-of-pile heating test data were used to develop kinetic correlations. Two out-of-pile correlations, one for the pure Al matrix and the other for the Al matrix with Si addition, respectively, were developed, which are Arrhenius equations that include temperature and time. For IL growth predictions during irradiation, the out-of-pile correlations were modified to include a fission-rate term to consider fission enhanced diffusion, and multiplication factors to incorporate the Si addition effect and the effect of the Mo content. The in-pile correlation is applicable for a pure Al matrix and an Al matrix with the Si content up to 8 wt%, for fuel temperatures up to 200 degrees C, and for Mo content in the range of 6 10wt%. In order to cover these ranges, in-pile data were included in modeling from various tests, such as the US RERTR-4, -5, -6, -7 and -9 tests and Koreas KOMO-4 test, that were designed to systematically examine the effects of the fission rate, temperature, Si content in Al matrix, and Mo content in U-Mo particles. A model converting the IL thickness to the IL volume fraction in the meat was also developed.

  17. A Feasibility Study of Steelmaking by Molten Oxide Electrolysis (TRP9956)

    SciTech Connect (OSTI)

    Donald R. Sadoway; Gerbrand Ceder

    2009-12-31

    Molten oxide electrolysis (MOE) is an extreme form of molten salt electrolysis, a technology that has been used to produce tonnage metals for over 100 years - aluminum, magnesium, lithium, sodium and the rare earth metals specifically. The use of carbon-free anodes is the distinguishing factor in MOE compared to other molten salt electrolysis techniques. MOE is totally carbon-free and produces no CO or CO2 - only O2 gas at the anode. This project is directed at assessing the technical feasibility of MOE at the bench scale while determining optimum values of MOE operating parameters. An inert anode will be identified and its ability to sustain oxygen evalution will be demonstrated.

  18. Research and Education of CO{sub 2} Separation from Coal Combustion Flue Gases with Regenerable Magnesium Solutions

    SciTech Connect (OSTI)

    Lee, Joo-Youp

    2013-09-30

    A novel method using environment-friendly chemical magnesium hydroxide (Mg(OH){sub 2}) solution to capture carbon dioxide from coal-fired power plants flue gas has been studied under this project in the post-combustion control area. The project utilizes the chemistry underlying the CO{sub 2}-Mg(OH){sub 2} system and proven and well-studied mass transfer devices for high levels of CO{sub 2} removal. The major goals of this research were to select and design an appropriate absorber which can absorb greater than 90% CO{sub 2} gas with low energy costs, and to find and optimize the operating conditions for the regeneration step. During the project period, we studied the physical and chemical characteristics of the scrubbing agent, the reaction taking place in the system, development and evaluation of CO{sub 2} gas absorber, desorption mechanism, and operation and optimization of continuous operation. Both batch and continuous operations were performed to examine the effects of various parameters including liquid-to-gas ratio, residence time, lean solvent concentration, pressure drop, bed height, CO{sub 2} partial pressure, bubble size, pH, and temperature on the absorption. The dissolution of Mg(OH){sub 2} particles, formation of magnesium carbonate (MgCO{sub 3}), and vapor-liquid-solid equilibrium (VLSE) of the system were also studied. The dissolution of Mg(OH){sub 2} particles and the steady release of magnesium ions into the solution was a crucial step to maintain a level of alkalinity in the CO{sub 2} absorption process. The dissolution process was modeled using a shrinking core model, and the dissolution reaction between proton ions and Mg(OH){sub 2} particles was found to be a rate-controlling step. The intrinsic surface reaction kinetics was found to be a strong function of temperature, and its kinetic expression was obtained. The kinetics of MgCO{sub 3} formation was also studied in terms of different pH values and temperatures, and was enhanced under high pH and temperatures.

  19. Microstructural Characterization of U-7Mo/Al-Si Alloy Matrix Dispersion Fuel Plates Fabricated at 500°C

    SciTech Connect (OSTI)

    Dennis D. Keiser, Jr.; Jan-Fong Jue; Bo Yao; Emmanuel Perez; Yongho Sohn; Curtis R. Clark

    2011-05-01

    The starting microstructure of a dispersion fuel plate will impact the overall performance of the plate during irradiation. To improve the understanding of the as-fabricated microstructures of U–Mo dispersion fuel plates, particularly the interaction layers that can form between the fuel particles and the matrix, scanning electron microscopy (SEM) and transmission electron microscopy (TEM) analyses have been performed on samples from depleted U–7Mo (U–7Mo) dispersion fuel plates with either Al–2 wt.% Si(Al–2Si) or AA4043 alloy matrix. It was observed that in the thick interaction layers, U(Al, Si)3 and U6Mo4Al43 were present, and in the thin interaction layers, (U, Mo) (Al, Si)3, U(Al, Si)4, U3Si3Al2, U3Si5, and possibly USi-type phases were observed. The U3Si3Al2 phase contained some Mo. Based on the results of this investigation, the time that a dispersion fuel plate is exposed to a relatively high temperature during fabrication will impact the nature of the interaction layers around the fuel particles. Uniformly thin, Si-rich layers will develop around the U–7Mo particles for shorter exposure times, and thicker, Si-depleted layers will develop for the longer exposure times.

  20. MoS{sub 2}@ZnO nano-heterojunctions with enhanced photocatalysis and field emission properties

    SciTech Connect (OSTI)

    Tan, Ying-Hua; Yu, Ke Li, Jin-Zhu; Fu, Hao; Zhu, Zi-Qiang

    2014-08-14

    The molybdenum disulfide (MoS{sub 2})@ZnO nano-heterojunctions were successfully fabricated through a facile three-step synthetic process: prefabrication of the ZnO nanoparticles, the synthesis of MoS{sub 2} nanoflowers, and the fabrication of MoS{sub 2}@ZnO heterojunctions, in which ZnO nanoparticles were uniformly self-assembled on the MoS{sub 2} nanoflowers by utilizing polyethyleneimine as a binding agent. The photocatalytic activities of the composite samples were evaluated by monitoring the photodegradation of methylene blue (MB). Compared with pure MoS{sub 2} nanoflowers, the composites show higher adsorption capability in dark and better photocatalytic efficiency due to the increased specific surface area and improved electron-hole pair separation. After irradiation for 100?min, the remaining MB in solution is about 7.3%. Moreover, the MoS{sub 2}@ZnO heterojunctions possess enhanced field emission properties with lower turn-on field of 3.08?V ?m{sup ?1}and lower threshold field of 6.9?V ?m{sup ?1} relative to pure MoS{sub 2} with turn-on field of 3.65?V ?m{sup ?1} and threshold field of 9.03?V ?m{sup ?1}.

  1. Theoretical study on strain induced variations in electronic properties of 2H-MoS{sub 2} bilayer sheets

    SciTech Connect (OSTI)

    Dong, Liang; Dongare, Avinash M.; Namburu, Raju R.; O'Regan, Terrance P.; Dubey, Madan

    2014-02-03

    The strain dependence of the electronic properties of bilayer sheets of 2H-MoS{sub 2} is studied using ab initio simulations based on density functional theory. An indirect band gap for bilayer MoS{sub 2} is observed for all variations of strain along the basal plane. Several transitions for the indirect band gap are observed for various strains for the bilayer structure. The variation of the band gap and the carrier effective masses for the holes and the electrons for the bilayer MoS{sub 2} structure under conditions of uniaxial strain, biaxial strain, as well as uniaxial stress is investigated.

  2. Effects of Variations in Salt-Spray Conditions on the Corrosion Mechanisms of an AE44 Magnesium Alloy

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

    Martin, Holly J.; Horstemeyer, M. F.; Wang, Paul T.

    2010-01-01

    The understanding of how corrosion affects magnesium alloys is of utmost importance as the automotive and aerospace industries have become interested in the use of these lightweight alloys. However, the standardized salt-spray test does not produce adequate corrosion results when compared with field data, due to the lack of multiple exposure environments. This research explored four test combinations through three sets of cycles to determine how the corrosion mechanisms of pitting, intergranular corrosion, and general corrosion were affected by the environment. Of the four test combinations, Humidity-Drying was the least corrosive, while the most corrosive test condition was Salt Spray-Humidity-Drying.more » The differences in corrosivity of the test conditions are due to the various reactions needed to cause corrosion, including the presence of chloride ions to cause pit nucleation, the presence of humidity to cause galvanic corrosion, and the drying phase which trapped chloride ions beneath the corrosion by-products.« less

  3. Methanol partial oxidation reformer

    DOE Patents [OSTI]

    Ahmed, S.; Kumar, R.; Krumpelt, M.

    1999-08-24

    A partial oxidation reformer is described comprising a longitudinally extending chamber having a methanol, water and an air inlet and an outlet. An igniter mechanism is near the inlets for igniting a mixture of methanol and air, while a partial oxidation catalyst in the chamber is spaced from the inlets and converts methanol and oxygen to carbon dioxide and hydrogen. Controlling the oxygen to methanol mole ratio provides continuous slightly exothermic partial oxidation reactions of methanol and air producing hydrogen gas. The liquid is preferably injected in droplets having diameters less than 100 micrometers. The reformer is useful in a propulsion system for a vehicle which supplies a hydrogen-containing gas to the negative electrode of a fuel cell. 7 figs.

  4. Methanol partial oxidation reformer

    DOE Patents [OSTI]

    Ahmed, Shabbir; Kumar, Romesh; Krumpelt, Michael

    1999-01-01

    A partial oxidation reformer comprising a longitudinally extending chamber having a methanol, water and an air inlet and an outlet. An igniter mechanism is near the inlets for igniting a mixture of methanol and air, while a partial oxidation catalyst in the chamber is spaced from the inlets and converts methanol and oxygen to carbon dioxide and hydrogen. Controlling the oxygen to methanol mole ratio provides continuous slightly exothermic partial oxidation reactions of methanol and air producing hydrogen gas. The liquid is preferably injected in droplets having diameters less than 100 micrometers. The reformer is useful in a propulsion system for a vehicle which supplies a hydrogen-containing gas to the negative electrode of a fuel cell.

  5. Methanol partial oxidation reformer

    DOE Patents [OSTI]

    Ahmed, S.; Kumar, R.; Krumpelt, M.

    1999-08-17

    A partial oxidation reformer is described comprising a longitudinally extending chamber having a methanol, water and an air inlet and an outlet. An igniter mechanism is near the inlets for igniting a mixture of methanol and air, while a partial oxidation catalyst in the chamber is spaced from the inlets and converts methanol and oxygen to carbon dioxide and hydrogen. Controlling the oxygen to methanol mole ratio provides continuous slightly exothermic partial oxidation reactions of methanol and air producing hydrogen gas. The liquid is preferably injected in droplets having diameters less than 100 micrometers. The reformer is useful in a propulsion system for a vehicle which supplies a hydrogen-containing gas to the negative electrode of a fuel cell. 7 figs.

  6. Methanol partial oxidation reformer

    DOE Patents [OSTI]

    Ahmed, Shabbir; Kumar, Romesh; Krumpelt, Michael

    2001-01-01

    A partial oxidation reformer comprising a longitudinally extending chamber having a methanol, water and an air inlet and an outlet. An igniter mechanism is near the inlets for igniting a mixture of methanol and air, while a partial oxidation catalyst in the chamber is spaced from the inlets and converts methanol and oxygen to carbon dioxide and hydrogen. Controlling the oxygen to methanol mole ratio provides continuous slightly exothermic partial oxidation reactions of methanol and air producing hydrogen gas. The liquid is preferably injected in droplets having diameters less than 100 micrometers. The reformer is useful in a propulsion system for a vehicle which supplies a hydrogen-containing gas to the negative electrode of a fuel cell.

  7. Thermally Oxidized Silicon

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

    4 Anneli Munkholm (Lumileds Lighting) and Sean Brennan (SSRL) Illustration of the silicon positions near the Si-SiO2 interface for a 4° miscut projected onto the ( ) plane. The silicon atoms in the substrate are blue and those in the oxide are red. The small black spots represent the translated silicon positions in the absence of static disorder. The silicon atoms in the oxide have been randomly assigned a magnitude and direction based on the static disorder value at that position in the

  8. Tetraalklylammonium polyoxoanionic oxidation catalysts

    DOE Patents [OSTI]

    Ellis, P.E.; Lyons, J.E.; Myers, H.K. Jr.; Shaikh, S.N.

    1998-10-06

    Alkanes are catalytically oxidized in air or oxygen using iron-substituted polyoxoanions (POAs) of the formula: H{sub e{minus}z}[(n-C{sub 4}H{sub 9}){sub 4}N]{sub z}(XM{sub 11}M{prime}O{sub 39}){sup {minus}e}. The M{prime} (e.g., iron(III)/iron(II)) reduction potential of the POAs is affected by selection of the central atom X and the framework metal M, and by the number of tetrabutyl-ammonium groups. Decreased Fe(III)/Fe(II) reduction potential has been found to correlate to increased oxidation activity.

  9. Tetraalykylammonium polyoxoanionic oxidation catalysts

    DOE Patents [OSTI]

    Ellis, Paul E.; Lyons, James E.; Myers, Jr., Harry K.; Shaikh, Shahid N.

    1998-01-01

    Alkanes are catalytically oxidized in air or oxygen using iron-substituted polyoxoanions (POAs) of the formula: H.sub.e-z ›(n-C.sub.4 H.sub.9).sub.4 N!.sub.z (XM.sub.11 M'O.sub.39).sup.-e The M' (e.g., iron(III)/iron(II)) reduction potential of the POAs is affected by selection of the central atom X and the framework metal M, and by the number of tetrabutyl-ammonium groups. Decreased Fe(III)/Fe(II) reduction potential has been found to correlate to increased oxidation activity.

  10. Tetraalykylammonium polyoxoanionic oxidation catalysts

    DOE Patents [OSTI]

    Ellis, Paul E. (Downingtown, PA); Lyons, James E. (Wallingford, PA); Myers, Jr., Harry K. (Cochranville, PA); Shaikh, Shahid N. (Media, PA)

    1998-01-01

    Alkanes are catalytically oxidized in air or oxygen using iron-substituted polyoxoanions (POAs) of the formula: H.sub.e-z (n-C.sub.4 H.sub.9).sub.4 N!.sub.z (XM.sub.11 M'O.sub.39).sup.-e The M' (e.g., iron(III)/iron(II)) reduction potential of the POAs is affected by selection of the central atom X and the framework metal M, and by the number of tetrabutyl-ammonium groups. Decreased Fe(III)/Fe(II) reduction potential has been found to correlate to increased oxidation activity.

  11. Molecular water oxidation catalyst

    DOE Patents [OSTI]

    Gratzel, Michael; Munavalli, Shekhar; Pern, Fu-Jann; Frank, Arthur J.

    1993-01-01

    A dimeric composition of the formula: ##STR1## wherein L', L", L'", and L"" are each a bidentate ligand having at least one functional substituent, the ligand selected from bipyridine, phenanthroline, 2-phenylpyridine, bipyrimidine, and bipyrazyl and the functional substituent selected from carboxylic acid, ester, amide, halogenide, anhydride, acyl ketone, alkyl ketone, acid chloride, sulfonic acid, phosphonic acid, and nitro and nitroso groups. An electrochemical oxidation process for the production of the above functionally substituted bidentate ligand diaqua oxo-bridged ruthenium dimers and their use as water oxidation catalysts is described.

  12. AMoRE: Collaboration for searches for the neutrinoless double-beta decay of the isotope of {sup 100}Mo with the aid of {sup 40}Ca{sup 100}MoO{sub 4} as a cryogenic scintillation detector

    SciTech Connect (OSTI)

    Khanbekov, N. D., E-mail: xanbekov@gmail.com [Institute of Theoretical and Experimental Physics (Russian Federation)

    2013-09-15

    The AMoRE (Advanced Mo based Rare process Experiment) Collaboration is planning to employ {sup 40}Ca{sup 100}MoO{sub 4} single crystals as a cryogenic Scintillation detector for studying the neutrinoless double-beta decay of the isotope {sup 100}Mo. A simultaneous readout of phonon and scintillation signals is performed in order to suppress the intrinsic background. The planned sensitivity of the experiment that would employ 100 kg of {sup 40}Ca{sup 100}MoO{sub 4} over five years of data accumulation would be T{sub 1/2}{sup 0{nu}} = 3 Multiplication-Sign 10{sup 26} yr, which corresponds to values of the effective Majorana neutrino mass in the range of Left-Pointing-Angle-Bracket m{sub {nu}} Right-Pointing-Angle-Bracket {approx} 0.02-0.06 eV.

  13. Determination of the direct double- β -decay Q value of Zr 96 and atomic masses of Zr 90 <mo>-> 92 <mo>,> 94 <mo>,> 96 and Mo 92 <mo>,> 94 <mo>-> 98 <mo>,> 100

    SciTech Connect (OSTI)

    Gulyuz, K.; Ariche, J.; Bollen, G.; Bustabad, S.; Eibach, M.; Izzo, C.; Novario, S. J.; Redshaw, M.; Ringle, R.; Sandler, R.; Schwarz, S.; Valverde, A. A.

    2015-05-06

    Experimental searches for neutrinoless double-β decay offer one of the best opportunities to look for physics beyond the standard model. Detecting this decay would confirm the Majorana nature of the neutrino, and a measurement of its half-life can be used to determine the absolute neutrino mass scale. Important to both tasks is an accurate knowledge of the Q value of the double-β decay. The LEBIT Penning trap mass spectrometer was used for the first direct experimental determination of the ⁹⁶Zr double-β decay Q value: Qββ=3355.85(15) keV. This value is nearly 7 keV larger than the 2012 Atomic Mass Evaluation [M. Wang et al., Chin. Phys. C 36, 1603 (2012)] value and one order of magnitude more precise. The 3-σ shift is primarily due to a more accurate measurement of the ⁹⁶Zr atomic mass: m(⁹⁶Zr)=95.90827735(17) u. Using the new Q value, the 2νββ-decay matrix element, |M|, is calculated. Improved determinations of the atomic masses of all other zirconium (90-92,94,96Zr) and molybdenum (92,94-98,100Mo) isotopes using both ¹²C₈ and ⁸⁷Rb as references are also reported.

  14. Microstructure evolution in solution treated Ti15Mo alloy processed by high pressure torsion

    SciTech Connect (OSTI)

    Jane?ek, Milo; ?ek, Jakub; Strsk, Josef; Vclavov, Kristna; Hruka, Petr; Polyakova, Veronika; Gatina, Svetlana; Semenova, Irina

    2014-12-15

    Microstructure evolution and mechanical properties of ultra-fine grained Ti15Mo alloy processed by high pressure torsion were investigated. High pressure torsion straining resulted in strong grain refinement as-observed by transmission electron microscopy. Microhardness and light microscopy showed two distinct regions (i) a central region with radial material flow and low microhardness (340 HV) and (ii) a peripheral region with rotational material flow and high microhardness (430 HV). Positron annihilation spectroscopy showed that the only detectable defects in the material are dislocations, whose density increases with the radial distance and the number of high pressure torsion revolutions. The local chemical environment around defects does not differ significantly from the average composition. - Highlights: Beta-Ti alloy Ti15Mo was processed by high pressure torsion (HPT). Lateral inhomogeneity of the microstructure and microhardness was found. Dislocations are the only lattice defects detectable by positron annihilation. Molybdenum is not preferentially segregated along dislocation cores.

  15. LANL Experience Rolling Zr-Clad LEU-10Mo Foils for AFIP-7

    SciTech Connect (OSTI)

    Hammon, Duncan L.; Clarke, Kester D.; Alexander, David J.; Kennedy, Patrick K.; Edwards, Randall L.; Duffield, Andrew N.; Dombrowski, David E.

    2015-05-29

    The cleaning, canning, rolling and final trimming of Low Enriched Uranium-10 wt. pct. Molybdenum (LEU-10Mo) foils for ATR (Advanced Test Reactor) fuel plates to be used in the AFIP-7 (ATR Full Size Plate In Center Flux Trap Position) experiments are summarized. Six Zr-clad foils were produced from two LEU-10Mo castings supplied to Los Alamos National Laboratory (LANL) by Y-12 National Security Complex. Details of cleaning and canning procedures are provided. Hot- and cold-rolling results are presented, including rolling schedules, images of foils in-process, metallography and local compositions of regions of interest, and details of final foil dimensions and process yield. This report was compiled from the slides for the presentation of the same name given by Duncan Hammon on May 12, 2011 at the AFIP-7 Lessons Learned meeting in Salt Lake City, UT, with Los Alamos National Laboratory document number LA-UR 11-02898.

  16. A multiscale method for the analysis of defect behavior in MO during electron irradiation

    SciTech Connect (OSTI)

    Rest, J.; Insepov, Z.; Ye, B.; Yun, D.

    2014-10-01

    In order to overcome a lack of experimental information on values for key materials properties and kinetic coefficients, a multiscale modeling approach is applied to defect behavior in irradiated Mo where key materials properties, such as point defect (vacancy and interstitial) migration enthalpies as well as kinetic factors such as dimer formation, defect recombination, and self interstitial–interstitial loop interaction coefficients, are obtained by molecular dynamics calculations and implemented into rate-theory simulations of defect behavior. The multiscale methodology is validated against interstitial loop growth data obtained from electron irradiation of pure Mo. It is shown that the observed linear behavior of the loop diameter vs. the square root of irradiation time is a direct consequence of the 1D migration of self-interstitial atoms.

  17. Chemical isolation of .sup.82 Sr from proton-irradiated Mo targets

    DOE Patents [OSTI]

    Grant, Patrick M.; Kahn, Milton; O'Brien, Jr., Harold A.

    1976-01-01

    Spallation reactions are induced in Mo targets with 200-800 MeV protons to produce microcurie to millicurie amounts of a variety of radionuclides. A six-step radiochemical procedure, incorporating precipitation, solvent extractions, and ion exchange techniques, has been developed for the separation and purification of Sr radioactivities from other spallation products and the bulk target material. Radiostrontium can be quantitatively recovered in a sufficiently decontaminated state for use in biomedical generator development.

  18. Production and Characterization of Atomized U-Mo Powder by the Rotating Electrode Process

    SciTech Connect (OSTI)

    C.R. Clark; B.R. Muntifering; J.F. Jue

    2007-09-01

    In order to produce feedstock fuel powder for irradiation testing, the Idaho National Laboratory has produced a rotating electrode type atomizer to fabricate uranium-molybdenum alloy fuel. Operating with the appropriate parameters, this laboratory-scale atomizer produces fuel in the desired size range for the RERTR dispersion experiments. Analysis of the powder shows a homogenous, rapidly solidified microstructure with fine equiaxed grains. This powder has been used to produce irradiation experiments to further test adjusted matrix U-Mo dispersion fuel.

  19. Co-Rolled U10Mo/Zirconium-Barrier-Layer Monolithic Fuel Foil Fabrication Process

    SciTech Connect (OSTI)

    G. A. Moore; M. C. Marshall

    2010-01-01

    Integral to the current UMo fuel foil processing scheme being developed at Idaho National Laboratory (INL) is the incorporation of a zirconium barrier layer for the purpose of controlling UMo-Al interdiffusion at the fuel-meat/cladding interface. A hot “co-rolling” process is employed to establish a ~25-µm-thick zirconium barrier layer on each face of the ~0.3-mm-thick U10Mo fuel foil.

  20. High strength Sn-Mo-Nb-Zr alloy tubes and method of making same

    DOE Patents [OSTI]

    Cheadle, Brian A.

    1977-01-01

    Tubes for use in nuclear reactors fabricated from a quaternary alloy comprising 2.5-4.0 wt% Sn, 0.5-1.5 wt% Mo, 0.5-1.5 wt% Nb, balance essentially Zr. The tubes are fabricated by a process of hot extrusion, heat treatment, cold working to size and age hardening, so as to produce a microstructure comprising elongated .alpha. grains with an acicular transformed .beta. grain boundary phase.

  1. A Porphyrin-Stabilized Iridium Oxide Water Oxidation Catalyst

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

    Authors: Sherman, B. D., Pillai, S., Kodis, G., Bergkamp, J., Mallouk, T. E., Gust, D., Moore, T. A., and Moore, A. L. Title: A Porphyrin-Stabilized Iridium Oxide Water Oxidation...

  2. Crystal structure of the spin-glass pyrochlore, Y/sub 2/Mo/sub 2/O/sub 7/

    SciTech Connect (OSTI)

    Reimers, J.N.; Greedan, J.E.; Sato, M.

    1988-02-01

    The crystal structure of the spin-glass material, Y/sub 2/Mo/sub 2/O/sub 7/, has been determined from powder neutron diffraction data using profile (Rietveld) methods. The data are consistent with the fully ordered cubic pyrochlore structure, a/sub 0/ = 10.230(1) A with Y in 16d, Mo in 16c, O in 48f(x = 0.3382(1), and O' in 8b of Fd3m. Attempts to refine models with O' disordered over the 32e sites or between the 8a and 8b sites resulted in convergence to the 8b positions. Derived Y-O and Mo-O distances are in excellent agreement with those found in isostructural materials giving indirect evidence for Y-Mo ordering over the cation sites.

  3. Doped zinc oxide microspheres

    DOE Patents [OSTI]

    Arnold, W.D. Jr.; Bond, W.D.; Lauf, R.J.

    1993-12-14

    A new composition and method of making same for a doped zinc oxide microsphere and articles made therefrom for use in an electrical surge arrestor which has increased solid content, uniform grain size and is in the form of a gel. 4 figures.

  4. Doped zinc oxide microspheres

    DOE Patents [OSTI]

    Arnold, Jr., Wesley D.; Bond, Walter D.; Lauf, Robert J.

    1993-01-01

    A new composition and method of making same for a doped zinc oxide microsphere and articles made therefrom for use in an electrical surge arrestor which has increased solid content, uniform grain size and is in the form of a gel.

  5. Conformations of organophosphine oxides

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

    De Silva, Nuwan; Zahariev, Federico; Hay, Benjamin P.; Gordon, Mark S.; Windus, Theresa L.

    2015-07-17

    The conformations of a series of organophosphine oxides, OP(CH3)2R, where R = methyl, ethyl, isopropyl, tert-butyl, vinyl, and phenyl, are predicted using the MP2/cc-pVTZ level of theory. Comparison of potential energy surfaces for rotation about P–C bonds with crystal structure data reveals a strong correlation between predicted location and energetics of minima and histograms of dihedral angle distributions observed in the solid state. In addition, the most stable conformers are those that minimize the extent of steric repulsion between adjacent rotor substituents, and the torsional barriers tend to increase with the steric bulk of the rotating alkyl group. MM3 forcemore » field parameters were adjusted to fit the MP2 results, providing a fast and accurate model for predicting organophosphine oxides shapes—an essential part of understanding the chemistry of these compounds. As a result, the predictive power of the modified MM3 model was tested against MP2/cc-pVTZ conformations for triethylphosphine oxide, OP(CH2CH3)3, and triphenylphosphine oxide, OP(Ph)3.« less

  6. Conformations of organophosphine oxides

    SciTech Connect (OSTI)

    De Silva, Nuwan; Zahariev, Federico; Hay, Benjamin P.; Gordon, Mark S.; Windus, Theresa L.

    2015-07-17

    The conformations of a series of organophosphine oxides, OP(CH3)2R, where R = methyl, ethyl, isopropyl, tert-butyl, vinyl, and phenyl, are predicted using the MP2/cc-pVTZ level of theory. Comparison of potential energy surfaces for rotation about P–C bonds with crystal structure data reveals a strong correlation between predicted location and energetics of minima and histograms of dihedral angle distributions observed in the solid state. In addition, the most stable conformers are those that minimize the extent of steric repulsion between adjacent rotor substituents, and the torsional barriers tend to increase with the steric bulk of the rotating alkyl group. MM3 force field parameters were adjusted to fit the MP2 results, providing a fast and accurate model for predicting organophosphine oxides shapes—an essential part of understanding the chemistry of these compounds. As a result, the predictive power of the modified MM3 model was tested against MP2/cc-pVTZ conformations for triethylphosphine oxide, OP(CH2CH3)3, and triphenylphosphine oxide, OP(Ph)3.

  7. Highly oxidized superconductors

    DOE Patents [OSTI]

    Morris, Donald E.

    1994-01-01

    Novel superconducting materials in the form of compounds, structures or phases are formed by performing otherwise known syntheses in a highly oxidizing atmosphere rather than that created by molecular oxygen at atmospheric pressure or below. This leads to the successful synthesis of novel superconducting compounds which are thermodynamically stable at the conditions under which they are formed.

  8. Highly oxidized superconductors

    DOE Patents [OSTI]

    Morris, D.E.

    1994-09-20

    Novel superconducting materials in the form of compounds, structures or phases are formed by performing otherwise known synthesis in a highly oxidizing atmosphere rather than that created by molecular oxygen at atmospheric pressure or below. This leads to the successful synthesis of novel superconducting compounds which are thermodynamically stable at the conditions under which they are formed. 16 figs.

  9. Exciton-dominated dielectric function of atomically thin MoS2 films

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

    Yu, Yiling; Yu, Yifei; Cai, Yongqing; Li, Wei; Gurarslan, Alper; Peelaers, Hartwin; Aspnes, David E.; Van de Walle, Chris G.; Nguyen, Nhan V.; Zhang, Yong -Wei; et al

    2015-11-24

    We systematically measure the dielectric function of atomically thin MoS2 films with different layer numbers and demonstrate that excitonic effects play a dominant role in the dielectric function when the films are less than 5–7 layers thick. The dielectric function shows an anomalous dependence on the layer number. It decreases with the layer number increasing when the films are less than 5–7 layers thick but turns to increase with the layer number for thicker films. We show that this is because the excitonic effect is very strong in the thin MoS2 films and its contribution to the dielectric function maymore » dominate over the contribution of the band structure. We also extract the value of layer-dependent exciton binding energy and Bohr radius in the films by fitting the experimental results with an intuitive model. The dominance of excitonic effects is in stark contrast with what reported at conventional materials whose dielectric functions are usually dictated by band structures. Lastly, the knowledge of the dielectric function may enable capabilities to engineer the light-matter interactions of atomically thin MoS2 films for the development of novel photonic devices, such as metamaterials, waveguides, light absorbers, and light emitters.« less

  10. Supercondutivity at 9K in Mo5PB2 with evidence for multiple gaps

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

    McGuire, Michael A.; Parker, David S.

    2016-02-09

    Superconductivity is observed with critical temperatures near 9 K in the tetragonal compound Mo5PB2. This material adopts the Cr5B3 structure type common to superconducting Nb5Si3–xBx, Mo5SiB2, and W5SiB2, which have critical temperatures of 5.8–7.8 K. We have synthesized polycrystalline samples of the compound, made measurements of electrical resistivity, magnetic susceptibility, and heat capacity, and performed first-principles electronic structure calculations. The highest Tc value (9.2 K) occurs in slightly phosphorus rich samples, with composition near Mo5P1.1B1.9, and the upper critical field Hc2 at T = 0 is estimated to be ≈17 kOe. Together, the measurements and band-structure calculations indicate intermediate couplingmore » (λ=1.0), phonon mediated superconductivity. Here, the temperature dependence of the heat capacity and upper critical field Hc2 below Tc suggest multiple superconducting gaps may be present.« less

  11. Study on Shielding Requirements for Radioactive Waste Transportation in a Mo-99 Production Plant - 13382

    SciTech Connect (OSTI)

    Melo Rego, Maria Eugenia de; Kazumi Sakata, Solange; Vicente, Roberto; Hiromoto, Goro [Nuclear and Energy Research Institute, IPEN-CNEN/SP (Brazil)] [Nuclear and Energy Research Institute, IPEN-CNEN/SP (Brazil)

    2013-07-01

    Brazil is currently planning to produce {sup 99}Mo from fission of low enriched uranium (LEU) targets. The planned end of irradiation activity of {sup 99}Mo is about 185 TBq (5 kCi) per week to meet the present domestic demand of {sup 99m}Tc generators. The radioactive wastes from the production plant will be transferred to a waste treatment facility at the same site. The total activity of the actinides, fission and activation products present in the wastes can be predicted based on the yields of fission and activation data for the irradiation conditions, such as composition and mass of uranium targets, irradiation time, neutron flux, production schedule, etc., which were in principle already established by the project management. The transportation of the wastes from the production plant to the treatment facility will be done by means of special shielded packages. An assessment of the shielding required for the packages has been done and the results are presented here, aiming at contributing to the design of the waste management facility for the {sup 99}Mo production plant. (authors)

  12. Exciton-dominated dielectric function of atomically thin MoS2 films

    SciTech Connect (OSTI)

    Yu, Yiling; Yu, Yifei; Cai, Yongqing; Li, Wei; Gurarslan, Alper; Peelaers, Hartwin; Aspnes, David E.; Van de Walle, Chris G.; Nguyen, Nhan V.; Zhang, Yong -Wei; Cao, Linyou

    2015-11-24

    We systematically measure the dielectric function of atomically thin MoS2 films with different layer numbers and demonstrate that excitonic effects play a dominant role in the dielectric function when the films are less than 5–7 layers thick. The dielectric function shows an anomalous dependence on the layer number. It decreases with the layer number increasing when the films are less than 5–7 layers thick but turns to increase with the layer number for thicker films. We show that this is because the excitonic effect is very strong in the thin MoS2 films and its contribution to the dielectric function may dominate over the contribution of the band structure. We also extract the value of layer-dependent exciton binding energy and Bohr radius in the films by fitting the experimental results with an intuitive model. The dominance of excitonic effects is in stark contrast with what reported at conventional materials whose dielectric functions are usually dictated by band structures. Lastly, the knowledge of the dielectric function may enable capabilities to engineer the light-matter interactions of atomically thin MoS2 films for the development of novel photonic devices, such as metamaterials, waveguides, light absorbers, and light emitters.

  13. Two-dimensional GaSe/MoSe2 misfit bilayer heterojunctions by van der Waals epitaxy

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

    Li, Xufan; Lin, Ming-Wei; Lin, Junhao; Huang, Bing; Puretzky, Alexander A.; Ma, Cheng; Wang, Kai; Zhou, Wu; Pantelides, Sokrates T.; Chi, Miaofang; et al

    2016-04-01

    Two-dimensional (2D) heterostructures hold the promise for future atomically-thin electronics and optoelectronics due to their diverse functionalities. While heterostructures consisting of different transition metal dichacolgenide monolayers with well-matched lattices and novel physical properties have been successfully fabricated via van der Waals (vdW) or edge epitaxy, constructing heterostructures from monolayers of layered semiconductors with large lattice misfits still remains challenging. Here, we report the growth of monolayer GaSe/MoSe2 heterostructures with large lattice misfit by two-step chemical vapor deposition (CVD). Both vertically stacked and lateral heterostructures are demonstrated. The vertically stacked GaSe/MoSe2 heterostructures exhibit vdW epitaxy with well-aligned lattice orientation between themore » two layers, forming an incommensurate vdW heterostructure. However, the lateral heterostructures exhibit no lateral epitaxial alignment at the interface between GaSe and MoSe2 crystalline domains. Instead of a direct lateral connection at the boundary region where the same lattice orientation is observed between GaSe and MoSe2 monolayer domains in lateral GaSe/MoSe2 heterostructures, GaSe monolayers are found to overgrow MoSe2 during CVD, forming a stripe of vertically stacked vdW heterostructure at the crystal interface. Such vertically-stacked vdW GaSe/MoSe2 heterostructures are shown to form p-n junctions with effective transport and separation of photo-generated charge carriers between layers, resulting in a gate-tunable photovoltaic response. In conclusion, these GaSe/MoSe2 vdW heterostructures should have applications as gate-tunable field-effect transistors, photodetectors, and solar cells.« less

  14. Physicochemical properties of Dy/sup 3 +/ in single KY(MoO/sub 4/)/sub 2/

    Office of Scientific and Technical Information (OSTI)

    crystal (electron absorption, emission, IR, Raman, and magnetic data) (Journal Article) | SciTech Connect Physicochemical properties of Dy/sup 3 +/ in single KY(MoO/sub 4/)/sub 2/ crystal (electron absorption, emission, IR, Raman, and magnetic data) Citation Details In-Document Search Title: Physicochemical properties of Dy/sup 3 +/ in single KY(MoO/sub 4/)/sub 2/ crystal (electron absorption, emission, IR, Raman, and magnetic data) Electron absorption, luminescence, vibrational, and

  15. Electrical properties of a-C:Mo films produced by dual-cathode filtered cathodic arc plasma deposition

    SciTech Connect (OSTI)

    Sansongsiri, Sakon; Anders, Andre; Yodsombat, Banchob

    2008-01-20

    Molybdenum-containing amorphous carbon (a-C:Mo) thin films were prepared using a dual-cathode filtered cathodic arc plasma source with a molybdenum and a carbon (graphite) cathode. The Mo content in the films was controlled by varying the deposition pulse ratio of Mo and C. Film sheet resistance was measured in situ at process temperature, which was close to room temperature, as well as ex situ as a function of temperature (300-515 K) in ambient air. Film resistivity and electrical activation energy were derived for different Mo and C ratios and substrate bias. Film thickness was in the range 8-28 nm. Film resistivity varied from 3.55x10-4 Omega m to 2.27x10-6 Omega m when the Mo/C pulse ratio was increased from 0.05 to 0.4, with no substrate bias applied. With carbon-selective bias, the film resistivity was in the range of 4.59x10-2 and 4.05 Omega m at a Mo/C pulse ratio of 0.05. The electrical activation energy decreased from 3.80x10-2 to 3.36x10-4 eV when the Mo/C pulse ratio was increased in the absence of bias, and from 0.19 to 0.14 eV for carbon-selective bias conditions. The resistivity of the film shifts systematically with the amounts of Mo and upon application of substrate bias voltage. The intensity ratio of the Raman D-peak and G-peak (ID/IG) correlated with the pre-exponential factor (sigma 0) which included charge carrier density and density of states.

  16. Superconducting and structural properties of {delta}-MoC{sub 0.681} cubic molybdenum carbide phase

    SciTech Connect (OSTI)

    Sathish, C.I. [Graduate School of Chemical Sciences and Engineering, Hokkaido University, Sapporo, Hokkaido 060-0810 (Japan) [Graduate School of Chemical Sciences and Engineering, Hokkaido University, Sapporo, Hokkaido 060-0810 (Japan); Superconducting Properties Unit, National Institute for Materials Science, 1-1 Namiki, Tsukuba, Ibaraki 305-0044 (Japan); Guo, Yanfeng, E-mail: GUO.Yanfeng@nims.go.jp [Superconducting Properties Unit, National Institute for Materials Science, 1-1 Namiki, Tsukuba, Ibaraki 305-0044 (Japan)] [Superconducting Properties Unit, National Institute for Materials Science, 1-1 Namiki, Tsukuba, Ibaraki 305-0044 (Japan); Wang, Xia [Graduate School of Chemical Sciences and Engineering, Hokkaido University, Sapporo, Hokkaido 060-0810 (Japan) [Graduate School of Chemical Sciences and Engineering, Hokkaido University, Sapporo, Hokkaido 060-0810 (Japan); Superconducting Properties Unit, National Institute for Materials Science, 1-1 Namiki, Tsukuba, Ibaraki 305-0044 (Japan); Tsujimoto, Yoshihiro [International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science, 1-1 Namiki, Tsukuba, Ibaraki 305-0044 (Japan)] [International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science, 1-1 Namiki, Tsukuba, Ibaraki 305-0044 (Japan); Li, Jun [Graduate School of Chemical Sciences and Engineering, Hokkaido University, Sapporo, Hokkaido 060-0810 (Japan) [Graduate School of Chemical Sciences and Engineering, Hokkaido University, Sapporo, Hokkaido 060-0810 (Japan); Superconducting Properties Unit, National Institute for Materials Science, 1-1 Namiki, Tsukuba, Ibaraki 305-0044 (Japan); Zhang, Shoubao [International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science, 1-1 Namiki, Tsukuba, Ibaraki 305-0044 (Japan)] [International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science, 1-1 Namiki, Tsukuba, Ibaraki 305-0044 (Japan); Matsushita, Yoshitaka [Synchrotron X-ray Station at SPring-8, National Institute for Materials Science, 1-1-1 Kouto, Sayo-cho, Hyogo 679-5148 (Japan)] [Synchrotron X-ray Station at SPring-8, National Institute for Materials Science, 1-1-1 Kouto, Sayo-cho, Hyogo 679-5148 (Japan); Shi, Youguo; Tian, Huanfang; Yang, Huaixin; Li, Jianqi [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China)] [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Yamaura, Kazunari, E-mail: YAMAURA.Kazunari@nims.go.jp [Graduate School of Chemical Sciences and Engineering, Hokkaido University, Sapporo, Hokkaido 060-0810 (Japan) [Graduate School of Chemical Sciences and Engineering, Hokkaido University, Sapporo, Hokkaido 060-0810 (Japan); Superconducting Properties Unit, National Institute for Materials Science, 1-1 Namiki, Tsukuba, Ibaraki 305-0044 (Japan)

    2012-12-15

    The superconducting and lattice properties of {delta}-MoC{sub 0.681} were studied by electromagnetic measurements, synchrotron X-ray diffraction, neutron diffraction, and electron diffraction. The superconducting properties (T{sub c}=12 K) of {delta}-MoC{sub 0.681} were well characterized by a weak coupling model. The carbon vacancies present in the host cubic structure were found to be robust, although the material was synthesized from stoichiometric carbon and Mo powder under a high-pressure of 6 GPa. A thermodynamically-stable structure with ordered vacancies did not account for the robust features of {delta}-MoC{sub 0.681} since the vacancies are unlikely to be ordered in long range in the host structure. A model based on inherent phonon instability theoretically predicted for a stoichiometric MoC phase might be responsible for the robust features of {delta}-MoC{sub 0.681}. - Graphical Abstract: The cubic molybdenum carbide shows an excellent superconductivity with robust carbon vacancies. Inherent phonon instability theoretically predicted for a stoichiometric MoC phase might be responsible for the vacancies rather than a thermodynamically-stable structure with vacancies ordering. Highlights: Black-Right-Pointing-Pointer The 12 K superconductivity is well characterized by a weakly coupling model. Black-Right-Pointing-Pointer Carbon vacancies are robust and disordered in the cubic host structure. Black-Right-Pointing-Pointer Inherent phonon instability might be responsible for the robust carbon vacancies in {delta}-MoC{sub 0.681}.

  17. Nanostructured transition metal oxides useful for water oxidation catalysis

    DOE Patents [OSTI]

    Frei, Heinz M; Jiao, Feng

    2013-12-24

    The present invention provides for a composition comprising a nanostructured transition metal oxide capable of oxidizing two H.sub.2O molecules to obtain four protons. In some embodiments of the invention, the composition further comprises a porous matrix wherein the nanocluster of the transition metal oxide is embedded on and/or in the porous matrix.

  18. Low-frequency 1/f noise in MoS{sub 2} transistors: Relative contributions of the channel and contacts

    SciTech Connect (OSTI)

    Renteria, J.; Jiang, C.; Samnakay, R.; Rumyantsev, S. L.; Goli, P.; Balandin, A. A.; Shur, M. S.

    2014-04-14

    We report on the results of the low-frequency (1/f, where f is frequency) noise measurements in MoS{sub 2} field-effect transistors revealing the relative contributions of the MoS{sub 2} channel and Ti/Au contacts to the overall noise level. The investigation of the 1/f noise was performed for both as fabricated and aged transistors. It was established that the McWhorter model of the carrier number fluctuations describes well the 1/f noise in MoS{sub 2} transistors, in contrast to what is observed in graphene devices. The trap densities extracted from the 1/f noise data for MoS{sub 2} transistors, are 2??10{sup 19}?eV{sup ?1}cm{sup ?3} and 2.5??10{sup 20}?eV{sup ?1}cm{sup ?3} for the as fabricated and aged devices, respectively. It was found that the increase in the noise level of the aged MoS{sub 2} transistors is due to the channel rather than the contact degradation. The obtained results are important for the proposed electronic applications of MoS{sub 2} and other van der Waals materials.

  19. Staged membrane oxidation reactor system

    DOE Patents [OSTI]

    Repasky, John Michael; Carolan, Michael Francis; Stein, VanEric Edward; Chen, Christopher Ming-Poh

    2014-05-20

    Ion transport membrane oxidation system comprising (a) two or more membrane oxidation stages, each stage comprising a reactant zone, an oxidant zone, one or more ion transport membranes separating the reactant zone from the oxidant zone, a reactant gas inlet region, a reactant gas outlet region, an oxidant gas inlet region, and an oxidant gas outlet region; (b) an interstage reactant gas flow path disposed between each pair of membrane oxidation stages and adapted to place the reactant gas outlet region of a first stage of the pair in flow communication with the reactant gas inlet region of a second stage of the pair; and (c) one or more reactant interstage feed gas lines, each line being in flow communication with any interstage reactant gas flow path or with the reactant zone of any membrane oxidation stage receiving interstage reactant gas.

  20. Staged membrane oxidation reactor system

    DOE Patents [OSTI]

    Repasky, John Michael; Carolan, Michael Francis; Stein, VanEric Edward; Chen, Christopher Ming-Poh

    2013-04-16

    Ion transport membrane oxidation system comprising (a) two or more membrane oxidation stages, each stage comprising a reactant zone, an oxidant zone, one or more ion transport membranes separating the reactant zone from the oxidant zone, a reactant gas inlet region, a reactant gas outlet region, an oxidant gas inlet region, and an oxidant gas outlet region; (b) an interstage reactant gas flow path disposed between each pair of membrane oxidation stages and adapted to place the reactant gas outlet region of a first stage of the pair in flow communication with the reactant gas inlet region of a second stage of the pair; and (c) one or more reactant interstage feed gas lines, each line being in flow communication with any interstage reactant gas flow path or with the reactant zone of any membrane oxidation stage receiving interstage reactant gas.

  1. Staged membrane oxidation reactor system

    DOE Patents [OSTI]

    Repasky, John Michael; Carolan, Michael Francis; Stein, VanEric Edward; Chen, Christopher Ming-Poh

    2012-09-11

    Ion transport membrane oxidation system comprising (a) two or more membrane oxidation stages, each stage comprising a reactant zone, an oxidant zone, one or more ion transport membranes separating the reactant zone from the oxidant zone, a reactant gas inlet region, a reactant gas outlet region, an oxidant gas inlet region, and an oxidant gas outlet region; (b) an interstage reactant gas flow path disposed between each pair of membrane oxidation stages and adapted to place the reactant gas outlet region of a first stage of the pair in flow communication with the reactant gas inlet region of a second stage of the pair; and (c) one or more reactant interstage feed gas lines, each line being in flow communication with any interstage reactant gas flow path or with the reactant zone of any membrane oxidation stage receiving interstage reactant gas.

  2. Kinetic study of hydrogen evolution reaction on Ni{sub 30} Mo{sub 70}, Co{sub 30}Mo{sub 70}, Co{sub 30}Ni{sub 70} and Co{sub 10}Ni{sub 20}Mo{sub 70} alloy electrodes

    SciTech Connect (OSTI)

    Dominguez-Crespo, M.A.; Plata-Torres, M.; Torres-Huerta, A.M.; Arce-Estrada, E.M. . E-mail: earce@ipn.mx; Hallen-Lopez, J.M.

    2005-07-15

    The hydrogen evolution reaction on nanocrystalline Ni{sub 30}Mo{sub 70}, Co{sub 30}Mo{sub 70}, Co{sub 30}Ni{sub 70}, and Co{sub 10}Ni{sub 20}Mo{sub 70}, metallic powders prepared by mechanical alloying was investigated with linear polarization and ac impedance methods, in 30 wt.% KOH aqueous solution at room temperature. The formation process and structural properties of these nanocrystalline materials were characterized by X-ray diffraction and transmission electron microscopy. Alloyed powders showed the presence of two phases: an fcc solid solution and intermetallic compounds of Ni, Co and Mo. Based on polarization and ac impedance measurements, an improved electrocatalytic activity for hydrogen evolution reaction was observed in mechanically alloyed Co{sub 30}Ni{sub 70} powders, which is slightly higher than milled metallic Ni powders.

  3. Photoredox degradation of different water pollutants (MO, RhB, MB, and Cr(VI)) using Fe–N–S-tri-doped TiO{sub 2} nanophotocatalyst prepared by novel chemical method

    SciTech Connect (OSTI)

    Xu, Xuyao; Zhou, Xiaosong Zhang, Lingling; Xu, Limei; Ma, Lin; Luo, Jin; Li, Mengjia; Zeng, Lihua

    2015-10-15

    Highlights: • TiO{sub 2} was synthesized through simple one-step hydrothermal method. • Photocatalytic activity for degradation of organic dyes and Cr(VI) are investigated. • The synergistic effect is shown in coexistence of MB and Cr(VI). - Abstract: Fe–N–S-tri-doped TiO{sub 2} (FeNS-TiO{sub 2}) was synthesized by a simple one-step hydrothermal method. The as-synthesized samples were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), Fourier transform infrared spectroscopy (FT-IR), and X-ray photoelectron spectroscopy (XPS). The photocatalytic activities of as-synthesized samples were tested by the oxidation of methyl orange (MO), rhodamine B (RhB), methylene blue (MB) and the reduction of aqueous Cr(VI) under visible-light (λ > 420 nm) irradiation, and compared with N-dope P25 (N-P25) and the undoped TiO{sub 2}. Besides, the effects of the coexistence of MO, RhB, and MB on FeNS-TiO{sub 2}-mediated photocatalytic reduction of aqueous Cr(VI) were also studied. The results indicated FeNS-TiO{sub 2} displayed higher visible-light-activated photocatalytic activity than N-P25 and the undoped TiO{sub 2}. Otherwise, FeNS-TiO{sub 2} showed the coexistence of MB enhanced the photocatalytic reduction of Cr(VI), whereas the coexistence of MO and RhB retarded the photocatalytic reduction of Cr(VI) over FeNS-TiO{sub 2}. Moreover, a possible photocatalytic mechanism is discussed.

  4. Doped palladium containing oxidation catalysts

    DOE Patents [OSTI]

    Mohajeri, Nahid

    2014-02-18

    A supported oxidation catalyst includes a support having a metal oxide or metal salt, and mixed metal particles thereon. The mixed metal particles include first particles including a palladium compound, and second particles including a precious metal group (PMG) metal or PMG metal compound, wherein the PMG metal is not palladium. The oxidation catalyst may also be used as a gas sensor.

  5. Composite materials with metal oxide attached to lead chalcogenide nanocrystal quantum dots with linkers

    DOE Patents [OSTI]

    Fuke, Nobuhiro; Koposov, Alexey Y; Sykora, Milan; Hoch, Laura

    2014-12-16

    Composite materials useful for devices such as photoelectrochemical solar cells include a substrate, a metal oxide film on the substrate, nanocrystalline quantum dots (NQDs) of lead sulfide, lead selenide, and lead telluride, and linkers that attach the NQDs to the metal oxide film. Suitable linkers preserve the 1s absorption peak of the NQDs. A suitable linker has a general structure A-B-C where A is a chemical group adapted for binding to a MO.sub.x and C is a chemical group adapted for binding to a NQD and B is a divalent, rigid, or semi-rigid organic spacer moiety. Other linkers that preserve the 1s absorption peak may also be used.

  6. Characterization of few-layer 1T-MoSe{sub 2} and its superior performance in the visible-light induced hydrogen evolution reaction

    SciTech Connect (OSTI)

    Gupta, Uttam; Naidu, B. S.; Maitra, Urmimala; Rao, C. N. R.; Singh, Anjali; Shirodkar, Sharmila N.; Waghmare, Umesh V.

    2014-09-01

    Based on earlier results on the photocatalytic properties of MoS{sub 2}, the 1T form of MoSe{sub 2}, prepared by lithium intercalation and exfoliation of bulk MoSe{sub 2}, has been employed for the visible-light induced generation of hydrogen. 1T-MoSe{sub 2} is found to be superior to both 2H and 1T MoS{sub 2} as well as 2H-MoSe{sub 2} in producing hydrogen from water, the yield being in the 6075 mmol?h{sup ?1}?g{sup ?1} range with a turn over frequency of 1519 h{sup ?1}. First principles calculations reveal that 1T-MoSe{sub 2} has a lower work function than 2H-MoSe{sub 2} as well as 1T and 2H-MoS{sub 2}, making it easier to transfer an electron from 1T-MoSe{sub 2} for the production of H{sub 2}.

  7. Examinations of Oxidation and Sulfidation of Grain Boundaries in Alloy 600 Exposed to Simulated Pressurized Water Reactor Primary Water

    SciTech Connect (OSTI)

    Schreiber, Daniel K.; Olszta, Matthew J.; Saxey, David W.; Kruska, Karen; Moore, K. L.; Lozano-Perez, Sergio; Bruemmer, Stephen M.

    2013-06-01

    High-resolution characterizations of intergranular attack in alloy 600 (Ni-17Cr-9Fe) exposed to 325 C simulated pressurized water reactor (PWR) primary water have been conducted using a combination of scanning electron microscopy, NanoSIMS, analytical transmission electron microscopy and atom probe tomography. The intergranular attack exhibited a two-stage microstructure that consisted of continuous corrosion/oxidation to a depth of ~200 nm from the surface followed by discrete Cr-rich sulfides to a further depth of ~500 nm. The continuous oxidation region contained primarily nanocrystalline MO-structure oxide particles and ended at Ni-rich, Cr-depleted grain boundaries with spaced CrS precipitates. Three-dimensional characterization of the sulfidized region using site-specific atom probe tomography revealed extraordinary grain boundary composition changes, including total depletion of Cr across a several nm wide dealloyed zone as a result of grain boundary migration.

  8. Oxidation resistance of 9-12% Cr steels: effect of rare earth surface treatment

    SciTech Connect (OSTI)

    Dogan, Omer N.; Alman, David A.; Jablonski, Paul D.

    2005-02-01

    Medium Cr steels have been used in fossil fired power plants for many years because of their excellent high temperature stability and mechanical properties. The environment in a fossil fired power plant is extremely aggressive in terms of corrosion, especially oxidation. This is only accelerated as the operating temperature increases to 650C and beyond. For any new steel to be qualified for power plant use, in addition to adequate strength at the operating temperature, material wastage from all corrosion processes must be kept to a minimum acceptable level. The use of medium Cr steels provides a means to improve overall corrosion resistance. Three medium Cr are under development for use as high temperature power plant steels: 0.08C-(9-12)Cr-1.2Ni-0.7Mo-3.0Cu-3.0Co-0.5Ti. Oxidation tests were performed on the steels for times greater than 1000 hours in order to determine the oxidation kinetics and extent of material wastage. Also, rare earth oxides were incorporated into the outer surface layers of the steels to see if the oxidation resistance could be improved. These results will be compared to current power plant steels.

  9. Pseudopotentials for quantum Monte Carlo studies of transition metal oxides

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

    Krogel, Jaron T.; Santana Palacio, Juan A.; Reboredo, Fernando A.

    2016-02-22

    Quantum Monte Carlo (QMC) calculations of transition metal oxides are partially limited by the availability of high-quality pseudopotentials that are both accurate in QMC and compatible with major plane-wave electronic structure codes. We have generated a set of neon-core pseudopotentials with small cutoff radii for the early transition metal elements Sc to Zn within the local density approximation of density functional theory. The pseudopotentials have been directly tested for accuracy within QMC by calculating the first through fourth ionization potentials of the isolated transition metal (M) atoms and the binding curve of each M-O dimer. We find the ionization potentialsmore » to be accurate to 0.16(1) eV, on average, relative to experiment. The equilibrium bond lengths of the dimers are within 0.5(1)% of experimental values, on average, and the binding energies are also typically accurate to 0.18(3) eV. The level of accuracy we find for atoms and dimers is comparable to what has recently been observed for bulk metals and oxides using the same pseudopotentials. Our QMC pseudopotential results compare well with the findings of previous QMC studies and benchmark quantum chemical calculations.« less

  10. Enzymatic Oxidation of Methane

    SciTech Connect (OSTI)

    Sirajuddin, S; Rosenzweig, AC

    2015-04-14

    Methane monooxygenases (MMOs) are enzymes that catalyze the oxidation of methane to methanol in methanotrophic bacteria. As potential targets for new gas-to-liquid methane bioconversion processes, MMOs have attracted intense attention in recent years. There are two distinct types of MMO, a soluble, cytoplasmic MMO (sMMO) and a membrane-bound, particulate MMO (pMMO). Both oxidize methane at metal centers within a complex, multisubunit scaffold, but the structures, active sites, and chemical mechanisms are completely different. This Current Topic review article focuses on the overall architectures, active site structures, substrate reactivities, proteinprotein interactions, and chemical mechanisms of both MMOs, with an emphasis on fundamental aspects. In addition, recent advances, including new details of interactions between the sMMO components, characterization of sMMO intermediates, and progress toward understanding the pMMO metal centers are highlighted. The work summarized here provides a guide for those interested in exploiting MMOs for biotechnological applications.

  11. Applications of pulsed EPR spectroscopy to structural studies of sulfite oxidizing enzymes

    SciTech Connect (OSTI)

    Klein, Eric L.; Astashkin, Andrei V.; Raitsimring, Arnold; Enemark, John H.

    2013-01-01

    Sulfite oxidizing enzymes (SOEs), including sulfite oxidase (SO) and bacterial sulfite dehydrogenase (SDH), catalyze the oxidation of sulfite (SO32?) to sulfate (SO42?). The active sites of SO and SDH are nearly identical, each having a 5-coordinate, pseudo-square-pyramidal Mo with an axial oxo ligand and three equatorial sulfur donor atoms. One sulfur is from a conserved Cys residue and two are from a pyranopterindithiolene (molybdopterin, MPT) cofactor. The identity of the remaining equatorial ligand, which is solvent-exposed, varies during the catalytic cycle. Numerous in vitro studies, particularly those involving electron paramagnetic resonance (EPR) spectroscopy of the Mo(V) states of SOEs, have shown that the identity and orientation of this exchangeable equatorial ligand depends on the buffer pH, the presence and concentration of certain anions in the buffer, as well as specific point mutations in the protein. Until very recently, however, EPR has not been a practical technique for directly probing specific structures in which the solvent-exposed, exchangeable ligand is an O, OH?, H2O, SO32?, or SO42? group, because the primary O and S isotopes (16O and 32S) are magnetically silent (I = 0). This review focuses on the recent advances in the use of isotopic labeling, variable-frequency high resolution pulsed EPR spectroscopy, synthetic model compounds, and DFT calculations to elucidate the roles of various anions, point mutations, and steric factors in the formation, stabilization, and transformation of SOE active site structures.

  12. Unexpected Voltage Fade in LMR-NMC Oxides Cycled below the Activation Plateau

    SciTech Connect (OSTI)

    Li, Yan; Bareno, Javier; Bettge, Martin; Abraham, Daniel P

    2015-01-01

    A common feature of lithium-excess layered oxides, nominally of composition xLi2MnO3(1-x)LiMO2 (M = transition metal) is a high-voltage plateau (~4.5 V vs. Li/Li+) in their capacity-voltage profile during the first delithiation cycle. This plateau is believed to result from activation of the Li2MnO3 component, which makes additional lithium available for electrochemical cycling. However, oxides cycled beyond this activation plateau are known to display voltage fade which is a continuous reduction in their equilibrium potential. In this article we show that these oxides display gradual voltage fade even on electrochemical cycling in voltage ranges well below the activation plateau. The average fade is ~0.08 mV-cycle-1 for Li1.2Ni0.15Mn0.55Co0.1O2 vs. Li cells after 20 cycles in the 24.1 V range at 55C; a ~54 mV voltage hysteresis, expressed as the difference in average cell voltage between charge and discharge cycles, is also observed. The voltage fade results from a gradual accumulation of local spinel environments in the crystal structure. Some of these spinel sites result from lithium deficiencies during oxide synthesis and are likely to be at the particle surfaces; other sites result from the migration of transition metal atoms in the partially-delithiated LiMO2 component into the lithium planes during electrochemical cycling. The observed rate of voltage fade depends on a combination of factors that includes the phase equilibrium between the layered and spinel components and the kinetics of transition metal migration.

  13. Millisecond Oxidation of Alkanes

    Broader source: Energy.gov [DOE]

    This factsheet describes a project whose goal is to commercialize a production process for propylene and acrylic acid from propane using a catalytic auto-thermal oxydehydrogenation process operating at short contact times. Auto-thermal oxidation for conversion of propane to propylene and acrylic acid promises energy savings of 20 trillion Btu per year by 2020. In addition to reducing energy consumption, this technology can reduce manufacturing costs by up to 25 percent, and reduce a variety of greenhouse gas emissions.

  14. Controlled CO preferential oxidation

    DOE Patents [OSTI]

    Meltser, Mark A.; Hoch, Martin M.

    1997-01-01

    Method for controlling the supply of air to a PROX reactor for the preferential oxidation in the presence of hydrogen wherein the concentration of the hydrogen entering and exiting the PROX reactor is monitored, the difference therebetween correlated to the amount of air needed to minimize such difference, and based thereon the air supply to the PROX reactor adjusted to provide such amount and minimize such difference.

  15. Nonisostructural complex oxide heteroepitaxy

    SciTech Connect (OSTI)

    Wong, Franklin J. Ramanathan, Shriram

    2014-07-01

    The authors present an overview of the fundamentals and representative examples of the growth of epitaxial complex oxide thin films on structurally dissimilar substrates. The authors will delineate how the details of particular crystal structures and symmetry of different oxide surfaces can be employed for a rational approach to the synthesis of nonisostructural epitaxial heterostructures. The concept of oxygen eutaxy can be widely applied. Materials combinations will be split into three categories, and in all cases the films and substrates occur in different crystal structures: (1) common translational and rotational symmetry between the film and substrate planes; (2) translational symmetry mismatch between the substrates and films that is distinct from a simple mismatch in lattice parameters; and (3) rotational symmetry mismatch. In case (1), in principle single-crystalline thin films can be attained despite the films and substrates possessing different crystal structures. In case (2), antiphase boundaries will be prevalent in the thin films. In case (3), thin-film rotational variants that are joined by tilt boundaries will be present. Diffraction techniques to determine crystallographic alignment and epitaxial variants are discussed, and transmission electron microscopy studies to investigate extended defects in the thin films will also be reviewed. The authors end with open problems in this field regarding the structure of oxide interfaces that can be topics for future research.

  16. Martensitic transformation behaviors of rapidly solidified TiNiMo powders

    SciTech Connect (OSTI)

    Kim, Yeon-wook

    2012-10-15

    For the fabrication of bulk near-net-shape shape memory alloys and porous metallic biomaterials, consolidation of TiNiMo alloy powders is more useful than that of elemental powders of Ti, Ni and Mo. Ti{sub 50}Ni{sub 49.9}Mo{sub 0.1} shape memory alloy powders were prepared by gas atomization, and transformation temperatures and microstructures of those powders were investigated as a function of powder size. XRD analysis showed that the B2RB19 martensitic transformation occurred in powders smaller than 150 ?m. According to DSC analysis of the as-atomized powders, the B2R transformation temperature (T{sub R}) of the 2550 ?m powders was 18.4 C. The T{sub R} decreased with increasing powder size, however, the difference in T{sub R} between 2550 ?m powders and 100150 ?m powders is only 1 C. Evaluation of powder microstructures was based on SEM examination of the surface and the polished and etched powder cross sections and the typical images of the rapidly solidified powders showed cellular morphology. Porous cylindrical foams of 10 mm diameter and 1.5 mm length were fabricated by spark plasma sintering (SPS) at 800 C and 5 MPa. Finally these porous TiNi alloy samples are heat-treated for 1 h at 850 C, and then quenched in ice water. The bulk samples have 23% porosity and 4.6 g/cm{sup 3} density and their T{sub R} is 17.8 C.

  17. Hysteresis-free high rate reactive sputtering of niobium oxide, tantalum oxide, and aluminum oxide

    SciTech Connect (OSTI)

    Srhammar, Erik, E-mail: erik.sarhammar@angstrom.uu.se; Berg, Sren; Nyberg, Tomas [Department of Solid State Electronics, The ngstrm Laboratory, Uppsala University, Box 534, SE-751 21 Uppsala (Sweden)

    2014-07-01

    This work reports on experimental studies of reactive sputtering from targets consisting of a metal and its oxide. The composition of the targets varied from pure metal to pure oxide of Al, Ta, and Nb. This combines features from both the metal target and oxide target in reactive sputtering. If a certain relation between the metal and oxide parts is chosen, it may be possible to obtain a high deposition rate, due to the metal part, and a hysteresis-free process, due to the oxide part. The aim of this work is to quantify the achievable boost in oxide deposition rate from a hysteresis-free process by using a target consisting of segments of a metal and its oxide. Such an increase has been previously demonstrated for Ti using a homogeneous substoichiometric target. The achievable gain in deposition rate depends on transformation mechanisms from oxide to suboxides due to preferential sputtering of oxygen. Such mechanisms are different for different materials and the achievable gain is therefore material dependent. For the investigated materials, the authors have demonstrated oxide deposition rates that are 1.510 times higher than what is possible from metal targets in compound mode. However, although the principle is demonstrated for oxides of Al, Ta, and Nb, a similar behavior is expected for most oxides.

  18. Corrosion and degradation of a polyurethane/Co-Ni-Cr-Mo pacemaker lead

    SciTech Connect (OSTI)

    Sung, P.; Fraker, A.C.

    1987-12-01

    An investigation to study changes in the metal surfaces and the polyurethane insulation of heart pacemaker leads under controlled in vitro conditions was conducted. A polyurethane (Pellethane 2363-80A)/Co-Ni-Cr-Mo (MP35N) wire lead was exposed in Hanks' physiological saline solution for 14 months and then analyzed using scanning electron microscopy, x-ray energy dispersive analysis, and small angle x-ray scattering. Results showed that some leakage of solution into the lead had occurred and changes were present on both the metal and the polyurethane surfaces.

  19. FULL SIZE U-10MO MONOLITHIC FUEL FOIL AND FUEL PLATE FABRICATION-TECHNOLOGY DEVELOPMENT

    SciTech Connect (OSTI)

    G. A. Moore; J-F Jue; B. H. Rabin; M. J. Nilles

    2010-03-01

    Full-size U10Mo foils are being developed for use in high density LEU monolithic fuel plates. The application of a zirconium barrier layer too the foil is applied using a hot co-rolling process. Aluminum clad fuel plates are fabricated using Hot Isostatic Pressing (HIP) or a Friction Bonding (FB) process. An overview is provided of ongoing technology development activities, including: the co-rolling process, foil shearing/slitting and polishing, cladding bonding processes, plate forming, plate-assembly swaging, and fuel plate characterization. Characterization techniques being employed include, Ultrasonic Testing (UT), radiography, and microscopy.

  20. Pairing correlations and thermodynamical quantities in {sup 96,97}Mo

    SciTech Connect (OSTI)

    Kargar, Z.

    2007-06-15

    The nuclear level densities of {sup 96,97}Mo are calculated in the framework of superconducting theory. The parameters of nuclear level density are so chosen that the saddle point conditions are satisfied and the best fit to the experimental data yields. Then, using these parameters the energy, the entropy and the spin cut-off factor are calculated as a function of temperature. The curves show structures, reflecting the phase transition from a correlated to an uncorrelated phase. The critical temperature for quenching of pairing correlations is found at T{sub c}{approx}0.7-0.9 MeV.

  1. Hydrofining of Athabasca derived heavy gas oil over Ni-W and Co-Mo catalysts

    SciTech Connect (OSTI)

    Mann, R.S.; Diaz-real, R.

    1987-01-01

    The hydrotreatment of heavy gas oil derived from Athabasca bitumen was studied in a trickle bed reactor over Ni-W and Co-Mo zeolite catalyst at 350-425/sup 0/C, 3.55 to 10.44 MPa, and LHSV of 1-4. The effects of temperature and liquid flow rates on the product were investigated. ASTM distillation, aniline point, viscosities and densities of the product oil were measured and correlated with various parameters. Activity of the catalysts for hydrodenitrogenation is compared.

  2. Transmission Electron Microscope In Situ Straining Technique to Directly Observe Defects and Interfaces During Deformation in Magnesium

    SciTech Connect (OSTI)

    Morrow, Benjamin M.; Cerreta, E. K.; McCabe, R. J.; Tomé, C. N.

    2015-05-14

    In-situ straining was used to study deformation behavior of hexagonal close-packed (hcp) metals.Twinning and dislocation motion, both essential to plasticity in hcp materials, were observed.Typically, these processes are characterized post-mortem by examining remnant microstructural features after straining has occurred. By imposing deformation during imaging, direct observation of active deformation mechanisms is possible. This work focuses on straining of structural metals in a transmission electron microscope (TEM), and a recently developed technique that utilizes familiar procedures and equipment to increase ease of experiments. In-situ straining in a TEM presents several advantages over conventional post-mortem characterization, most notably time-resolution of deformation and streamlined identification of active deformation mechanisms. Drawbacks to the technique and applicability to other studies are also addressed. In-situ straining is used to study twin boundary motion in hcp magnesium. A {101¯2} twin was observed during tensile and compressive loading. Twin-dislocation interactions are directly observed. Notably, dislocations are observed to remain mobile, even after multiple interactions with twin boundaries, a result which suggests that Basinki’s dislocation transformation mechanism by twinning is not present in hcp metals. The coupling of in-situ straining with traditional post-mortem characterization yields more detailed information about material behavior during deformation than either technique alone.

  3. Mechanical properties and microstructures of a magnesium alloy gas tungsten arc welded with a cadmium chloride flux

    SciTech Connect (OSTI)

    Zhang, Z.D.; Liu, L.M. Shen, Y.; Wang, L.

    2008-01-15

    Gas tungsten arc (GTA) welds were prepared on 5-mm thick plates of wrought magnesium AZ31B alloy, using an activated flux. The microstructural characteristics of the weld joint were investigated using optical and scanning microscopy, and the fusion zone microstructure was compared with that of the base metal. The elemental distribution was also investigated by electron probe microanalysis (EPMA). Mechanical properties were determined by standard tensile tests on small-scale specimens. The as-welded fusion zone prepared using a CdCl{sub 2} flux exhibited a larger grain size than that prepared without flux; the microstructure consisted of matrix {alpha}-Mg, eutectic {alpha}-Mg and {beta}-Al{sub 12}Mg{sub 17}. The HAZ was observed to be slightly wider for the weld prepared with a CdCl{sub 2} flux compared to that prepared without flux; thus the tensile strength was lower for the flux-prepared weld. The fact that neither Cd nor Cl was detected in the weld seam by EPMA indicates that the CdCl{sub 2} flux has a small effect on convection in the weld pool.

  4. Transmission Electron Microscope In Situ Straining Technique to Directly Observe Defects and Interfaces During Deformation in Magnesium

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

    Morrow, Benjamin M.; Cerreta, E. K.; McCabe, R. J.; Tomé, C. N.

    2015-05-14

    In-situ straining was used to study deformation behavior of hexagonal close-packed (hcp) metals.Twinning and dislocation motion, both essential to plasticity in hcp materials, were observed.Typically, these processes are characterized post-mortem by examining remnant microstructural features after straining has occurred. By imposing deformation during imaging, direct observation of active deformation mechanisms is possible. This work focuses on straining of structural metals in a transmission electron microscope (TEM), and a recently developed technique that utilizes familiar procedures and equipment to increase ease of experiments. In-situ straining in a TEM presents several advantages over conventional post-mortem characterization, most notably time-resolution of deformation andmore » streamlined identification of active deformation mechanisms. Drawbacks to the technique and applicability to other studies are also addressed. In-situ straining is used to study twin boundary motion in hcp magnesium. A {101¯2} twin was observed during tensile and compressive loading. Twin-dislocation interactions are directly observed. Notably, dislocations are observed to remain mobile, even after multiple interactions with twin boundaries, a result which suggests that Basinki’s dislocation transformation mechanism by twinning is not present in hcp metals. The coupling of in-situ straining with traditional post-mortem characterization yields more detailed information about material behavior during deformation than either technique alone.« less

  5. Transmission Electron Microscope In Situ Straining Technique to Directly Observe Defects and Interfaces During Deformation in Magnesium

    SciTech Connect (OSTI)

    Morrow, Benjamin M.; Cerreta, E. K.; McCabe, R. J.; Tom, C. N.

    2015-05-14

    In-situ straining was used to study deformation behavior of hexagonal close-packed (hcp) metals.Twinning and dislocation motion, both essential to plasticity in hcp materials, were observed.Typically, these processes are characterized post-mortem by examining remnant microstructural features after straining has occurred. By imposing deformation during imaging, direct observation of active deformation mechanisms is possible. This work focuses on straining of structural metals in a transmission electron microscope (TEM), and a recently developed technique that utilizes familiar procedures and equipment to increase ease of experiments. In-situ straining in a TEM presents several advantages over conventional post-mortem characterization, most notably time-resolution of deformation and streamlined identification of active deformation mechanisms. Drawbacks to the technique and applicability to other studies are also addressed. In-situ straining is used to study twin boundary motion in hcp magnesium. A {1012} twin was observed during tensile and compressive loading. Twin-dislocation interactions are directly observed. Notably, dislocations are observed to remain mobile, even after multiple interactions with twin boundaries, a result which suggests that Basinkis dislocation transformation mechanism by twinning is not present in hcp metals. The coupling of in-situ straining with traditional post-mortem characterization yields more detailed information about material behavior during deformation than either technique alone.

  6. Film Breakdown and Nano-Porous Mg(OH)2 Formation from Corrosion of Magnesium Alloys in Salt Solutions

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

    Brady, Michael P; Rother, Gernot; Anovitz, Lawrence; Littrell, Ken; Unocic, Kinga A; Song, GuangLing; Thomson, Jeffery K; Gallego, Nidia C; Davis, Dr. Bruce

    2015-01-01

    Small angle neutron scattering (SANS) and cross-section scanning transmission electron microscopy (STEM) were used to study film formation by magnesium alloys AZ31B (Mg-3Al-1Zn base) and ZE10A (Elektron 717, E717: Mg-1Zn + Nd, Zr) in H2O and D2O with and without 1 or 5 wt.% NaCl. No SANS scattering changes were observed after 24 h D2O or H2O exposures compared with unreacted alloy, consistent with relatively dense MgO-base film formation. However, exposure to 5 wt.% NaCl resulted in accelerated corrosion, with resultant SANS scattering changes detected. The SANS data indicated both particle and rough surface scattering, but with no preferential sizemore » features. The films formed in 5 wt.% NaCl consisted of a thin, inner MgO-base layer, and a nano-porous and filamentous Mg(OH)2 outer region tens of microns thick. Chlorine was detected extending to the inner MgO-base film region, with segregation of select alloying elements also observed in the inner MgO, but not the outer Mg(OH)2. Modeling of the SANS data suggested that the outer Mg(OH)2 films had very high surface areas, consistent with loss of film protectiveness. Implications for the NaCl corrosion mechanism, and the potential utility of SANS for Mg corrosion, are discussed.« less

  7. Film Breakdown and Nano-Porous Mg(OH)2 Formation from Corrosion of Magnesium Alloys in Salt Solutions

    SciTech Connect (OSTI)

    Brady, Michael P; Rother, Gernot; Anovitz, Lawrence {Larry} M; Littrell, Ken; Unocic, Kinga A; Song, GuangLing; Thomson, Jeffery K; Gallego, Nidia C; Davis, Dr. Bruce

    2015-01-01

    Small angle neutron scattering (SANS) and cross-section scanning transmission electron microscopy (STEM) were used to study film formation by magnesium alloys AZ31B (Mg-3Al-1Zn base) and ZE10A (Elektron 717, E717: Mg-1Zn + Nd, Zr) in H2O and D2O with and without 1 or 5 wt.% NaCl. No SANS scattering changes were observed after 24 h D2O or H2O exposures compared with unreacted alloy, consistent with relatively dense MgO-base film formation. However, exposure to 5 wt.% NaCl resulted in accelerated corrosion, with resultant SANS scattering changes detected. The SANS data indicated both particle and rough surface scattering, but with no preferential size features. The films formed in 5 wt.% NaCl consisted of a thin, inner MgO-base layer, and a nano-porous and filamentous Mg(OH)2 outer region tens of microns thick. Chlorine was detected extending to the inner MgO-base film region, with segregation of select alloying elements also observed in the inner MgO, but not the outer Mg(OH)2. Modeling of the SANS data suggested that the outer Mg(OH)2 films had very high surface areas, consistent with loss of film protectiveness. Implications for the NaCl corrosion mechanism, and the potential utility of SANS for Mg corrosion, are discussed.

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

    SciTech Connect (OSTI)

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

    2011-11-09

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

  9. Electrolytic oxide reduction system

    DOE Patents [OSTI]

    Wiedmeyer, Stanley G; Barnes, Laurel A; Williamson, Mark A; Willit, James L; Berger, John F

    2015-04-28

    An electrolytic oxide reduction system according to a non-limiting embodiment of the present invention may include a plurality of anode assemblies, a plurality of cathode assemblies, and a lift system configured to engage the anode and cathode assemblies. The cathode assemblies may be alternately arranged with the anode assemblies such that each cathode assembly is flanked by two anode assemblies. The lift system may be configured to selectively engage the anode and cathode assemblies so as to allow the simultaneous lifting of any combination of the anode and cathode assemblies (whether adjacent or non-adjacent).

  10. PLATES WITH OXIDE INSERTS

    DOE Patents [OSTI]

    West, J.M.; Schumar, J.F.

    1958-06-10

    Planar-type fuel assemblies for nuclear reactors are described, particularly those comprising fuel in the oxide form such as thoria and urania. The fuel assembly consists of a plurality of parallel spaced fuel plate mennbers having their longitudinal side edges attached to two parallel supporting side plates, thereby providing coolant flow channels between the opposite faces of adjacent fuel plates. The fuel plates are comprised of a plurality of longitudinally extending tubular sections connected by web portions, the tubular sections being filled with a plurality of pellets of the fuel material and the pellets being thermally bonded to the inside of the tubular section by lead.

  11. Oxidation resistant alloys, method for producing oxidation resistant alloys

    DOE Patents [OSTI]

    Dunning, John S.; Alman, David E.

    2002-11-05

    A method for producing oxidation-resistant austenitic alloys for use at temperatures below 800.degree. C. comprising of: providing an alloy comprising, by weight %: 14-18% chromium, 15-18% nickel, 1-3% manganese, 1-2% molybdenum, 2-4% silicon, 0% aluminum and the balance being iron; heating the alloy to 800.degree. C. for between 175-250 hours prior to use in order to form a continuous silicon oxide film and another oxide film. The method provides a means of producing stainless steels with superior oxidation resistance at temperatures above 700.degree. C. at a low cost

  12. Selective Oxidation of Organic Substrates to Partially Oxidized...

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

    Technology Brief (243 KB) Technology Marketing Summary Rapid and controlled rate of catalysis, utilizing ozone for oxidation of alcohols to ketones or aldehydes, is made possible...

  13. Oxidation resistant alloys, method for producing oxidation resistant alloys

    DOE Patents [OSTI]

    Dunning, John S.; Alman, David E.

    2002-11-05

    A method for producing oxidation-resistant austenitic alloys for use at temperatures below 800 C. comprising of: providing an alloy comprising, by weight %: 14-18% chromium, 15-18% nickel, 1-3% manganese, 1-2% molybdenum, 2-4% silicon, 0% aluminum and the balance being iron; heating the alloy to 800 C. for between 175-250 hours prior to use in order to form a continuous silicon oxide film and another oxide film. The method provides a means of producing stainless steels with superior oxidation resistance at temperatures above 700 C. at a low cost

  14. PREPARATION OF REFRACTORY OXIDE MICROSPHERE

    DOE Patents [OSTI]

    Haws, C.C. Jr.

    1963-09-24

    A method is described of preparing thorium oxide in the form of fused spherical particles about 1 to 2 microns in diameter. A combustible organic solution of thorium nitrate containing additive metal values is dispersed into a reflected, oxygen-fed flame at a temperature above the melting point of the resulting oxide. The metal additive is aluminum at a proportion such as to provide 1 to 10 weight per cent aluminum oxide in the product, silicon at the same proportion, or beryllium at a proportion of 12 to 25 weight per cent beryllium oxide in the product. A minor proportion of uranium values may also be provided in the solution. The metal additive lowers the oxide melting point and allows fusion and sphere formation in conventional equipment. The product particles are suitable for use in thorium oxide slurries for nuclear reactors. (AEC)

  15. NETL: Solid Oxide Fuel Cells

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

    Solid Oxide Fuel Cells Solid oxide fuel cells (SOFC) are electrochemical devices that convert chemical energy of a fuel and oxidant directly into electrical energy. Since SOFCs produce electricity through an electrochemical reaction and not through a combustion process, they are much more efficient and environmentally benign than conventional electric power generation processes. Their inherent characteristics make them uniquely suitable to address the environmental, climate change, and water

  16. Localized Corrosion of a Neutron Absorbing Ni-Cr-Mo-Gd Alloy

    SciTech Connect (OSTI)

    R.E. Mizia; T. E. Lister; P. J. Pinhero; T. L. Trowbridge

    2005-04-01

    The National Spent Nuclear Fuel Program, located at the Idaho National Laboratory (INL), has developed a new nickel-chromium-molybdenum-gadolinium structural alloy for storage and long-term disposal of spent nuclear fuel (SNF). The new alloy will be used for SNF storage container inserts for nuclear criticality control. Gadolinium has been chosen as the neutron absorption alloying element due to its high thermal neutron absorption cross section. This alloy must be resistant to localized corrosion when exposed to postulated Yucca Mountain in-package chemistries. The corrosion resistance properties of three experimental heats of this alloy are presented. The alloys performance are be compared to Alloy 22 and borated stainless steel. The results show that initially the new Ni-Cr-Mo-Gd alloy is less resistant to corrosion as compared to another Ni-Cr-Mo-Gd alloy (Alloy 22); but when the secondary phase that contains gadolinium (gadolinide) is dissolved, the alloy surface becomes passive. The focus of this work is to qualify these gadolinium containing materials for ASME code qualification and acceptance in the Yucca Mountain Repository.

  17. Experimental study of the electric dipole strength in the even Mo nuclei and its deformation dependence

    SciTech Connect (OSTI)

    Erhard, M.; Junghans, A. R.; Nair, C.; Schwengner, R.; Beyer, R.; Klug, J.; Kosev, K.; Wagner, A.; Grosse, E.

    2010-03-15

    Two methods based on bremsstrahlung were applied to the stable even Mo isotopes for the experimental determination of the photon strength function covering the high excitation energy range above 4 MeV with its increasing level density. Photon scattering was used up to the neutron separation energies S{sub n} and data up to the maximum of the isovector giant resonance (GDR) were obtained by photoactivation. After a proper correction for multistep processes the observed quasicontinuous spectra of scattered photons show a remarkably good match to the photon strengths derived from nuclear photoeffect data obtained previously by neutron detection and corrected in absolute scale by using the new activation results. The combined data form an excellent basis to derive a shape dependence of the E1 strength in the even Mo isotopes with increasing deviation from the N=50 neutron shell (i.e., with the impact of quadrupole deformation and triaxiality). The wide energy coverage of the data allows for a stringent assessment of the dipole sum rule and a test of a novel parametrization developed previously which is based on it. This parametrization for the electric dipole strength function in nuclei with A>80 deviates significantly from prescriptions generally used previously. In astrophysical network calculations it may help to quantify the role the p-process plays in cosmic nucleosynthesis. It also has impact on the accurate analysis of neutron capture data of importance for future nuclear energy systems and waste transmutation.

  18. Spin and valley transport in monolayers of MoS{sub 2}

    SciTech Connect (OSTI)

    Sun, J. F.; Cheng, F.

    2014-04-07

    We investigate theoretically quantum transport and Goos-Hnchen (GH) effect of electrons in a p-n-p junction on monolayers of MoS{sub 2}. We find that the transmission properties of spin-up (spin-down) electrons in K valley are the same with spin-down (spin-up) electrons in K? valley due to the time-reversal symmetry. The GH shifts for the transmitted K and K? beams in the n-p interface are in the opposite direction, and GH shifts for the spin-up and spin-down electron beams at the same valley have different values in the same direction due to the different group velocities. Therefore, the spin-up and spin-down electrons can be separated after passing a sufficiently long channel created by a p-n-p junction. These features provide us a new way to generate a fully spin- and valley-polarized current in monolayers of MoS{sub 2}.

  19. Consent to Subcontracts on Management and Operating (M&O) Contracts

    Broader source: Energy.gov [DOE]

    This is to provide notice that an Acquisition Letter (AL) will be issued addressing the establishment of subcontract review thresholds on M&O contracts. Currently, DEAR 970.4401-1 and 970.4401-2 require Heads of the Contracting Activities (HCAs) to establish thresholds, by subcontract type and dollar level, for the review and approval of proposed subcontracting actions by each M&O contractor under their cognizance. The AL will seek to improve Consent to Subcontract efficiency and to ensure we apply our resources to those subcontract actions that truly pose the most risk. The AL will state that the HCA should determine appropriate tiers for subcontract review thresholds, as a result of a risk assessment. This tiered approach may result in different thresholds being established for different sites as well as different thresholds at a given site, taking into consideration the best interests of DOE and the following factors: approval status of the contractor's purchasing system results of Independent Peer Review Program for Contractors' Purchasing Systems (e.g., PERT results) results of Contractor Balanced Scorecard Self-assessment size, experience, ability, reliability, and organization of the contractor's purchasing function internal controls, procedures, and organizational stature of the contractor's purchasing function subcontract type (fixed price vs. cost reimbursement) degree of competition value nature of the work/complexity whether the subcontract needs special surveillance

  20. Electronic structure and conductivity of nanocomposite metal (Au,Ag,Cu,Mo)-containing amorphous carbon films

    SciTech Connect (OSTI)

    Endrino, Jose L.; Horwat, David; Gago, Raul; Andersson, Joakim; Liu, Y.S.; Guo, Jinghua; Anders, Andre

    2008-05-14

    In this work, we study the influence of the incorporation of different metals (Me = Au, Ag, Cu, Mo) on the electronic structure of amorphous carbon (a-C:Me) films. The films were produced at room temperature using a novel pulsed dual-cathode arc deposition technique. Compositional analysis was performed with secondary neutral mass spectroscopy whereas X-ray diffraction was used to identify the formation of metal nanoclusters in the carbon matrix. The metal content incorporated in the nanocomposite films induces a drastic increase in the conductivity, in parallel with a decrease in the band gap corrected from Urbach energy. The electronic structure as a function of the Me content has been monitored by x-ray absorption near edge structure (XANES) at the C K-edge. XANES showed that the C host matrix has a dominant graphitic character and that it is not affected significantly by the incorporation of metal impurities, except for the case of Mo, where the modifications in the lineshape spectra indicated the formation of a carbide phase. Subtle modifications of the spectral lineshape are discussed in terms of nanocomposite formation.

  1. Raman shifts in electron-irradiated monolayer MoS2

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

    Parkin, William M.; Balan, Adrian; Liang, Liangbo; Das, Paul Masih; Lamparski, Michael; Naylor, Carl H.; Rodríguez-Manzo, Julio A.; Johnson, A. T. Charlie; Meunier, Vincent; Drndic, Marija

    2016-03-21

    Here, we report how the presence of electron-beam-induced sulfur vacancies affects first-order Raman modes and correlate the effects with the evolution of the in situ transmission-electron microscopy (TEM) two-terminal conductivity of monolayer MoS2 under electron irradiation. We observe a redshift in the E Raman peak and a less pronounced blueshift in the A'1 peak with increasing electron dose. Using energy-dispersive X-ray spectroscopy (EDS), we show that irradiation causes partial removal of sulfur and correlate the dependence of the Raman peak shifts with S vacancy density (a few %), which is confirmed by first-principles density functional theory calculations. In situ devicemore » current measurements show exponential decrease in channel current upon irradiation. Our analysis demonstrates that the observed frequency shifts are intrinsic properties of the defective systems and that Raman spectroscopy can be used as a quantitative diagnostic tool to characterize MoS2-based transport channels.« less

  2. Zinc oxide varistors and/or resistors

    DOE Patents [OSTI]

    Arnold, W.D. Jr.; Bond, W.D.; Lauf, R.J.

    1993-07-27

    Varistors and/or resistors are described that include doped zinc oxide gel microspheres. The doped zinc oxide gel microspheres preferably have from about 60 to about 95% by weight zinc oxide and from about 5 to about 40% by weight dopants based on the weight of the zinc oxide. The dopants are a plurality of dopants selected from silver salts, boron oxide, silicon oxide and hydrons oxides of aluminum, bismuth, cobalt, chromium, manganese, nickel, and antimony.

  3. Zinc oxide varistors and/or resistors

    DOE Patents [OSTI]

    Arnold, Jr., Wesley D.; Bond, Walter D.; Lauf, Robert J.

    1993-01-01

    Varistors and/or resistors that includes doped zinc oxide gel microspheres. The doped zinc oxide gel microspheres preferably have from about 60 to about 95% by weight zinc oxide and from about 5 to about 40% by weight dopants based on the weight of the zinc oxide. The dopants are a plurality of dopants selected from silver salts, boron oxide, silicon oxide and hydrons oxides of aluminum, bismuth, cobalt, chromium, manganese, nickel, and antimony.

  4. Continuous lengths of oxide superconductors

    DOE Patents [OSTI]

    Kroeger, Donald M.; List, III, Frederick A.

    2000-01-01

    A layered oxide superconductor prepared by depositing a superconductor precursor powder on a continuous length of a first substrate ribbon. A continuous length of a second substrate ribbon is overlaid on the first substrate ribbon. Sufficient pressure is applied to form a bound layered superconductor precursor powder between the first substrate ribbon and the second substrate ribbon. The layered superconductor precursor is then heat treated to establish the oxide superconducting phase. The layered oxide superconductor has a smooth interface between the substrate and the oxide superconductor.

  5. Buried oxide layer in silicon

    DOE Patents [OSTI]

    Sadana, Devendra Kumar; Holland, Orin Wayne

    2001-01-01

    A process for forming Silicon-On-Insulator is described incorporating the steps of ion implantation of oxygen into a silicon substrate at elevated temperature, ion implanting oxygen at a temperature below 200.degree. C. at a lower dose to form an amorphous silicon layer, and annealing steps to form a mixture of defective single crystal silicon and polycrystalline silicon or polycrystalline silicon alone and then silicon oxide from the amorphous silicon layer to form a continuous silicon oxide layer below the surface of the silicon substrate to provide an isolated superficial layer of silicon. The invention overcomes the problem of buried isolated islands of silicon oxide forming a discontinuous buried oxide layer.

  6. Spectroscopic signatures of AA' and AB stacking of chemical vapor deposited bilayer MoS2

    SciTech Connect (OSTI)

    Xia, Ming; Li, Bo; Yin, Kuibo; Capellini, Giovanni; Niu, Gang; Gong, Yongji; Zhou, Wu; Ajayan, Pulickel M.; Xie, Ya -Hong

    2015-11-04

    We discuss prominent resonance Raman and photoluminescence spectroscopic differences between AA'and AB stacked bilayer molybdenum disulfide (MoS2) grown by chemical vapor deposition are reported. Bilayer MoS2 islands consisting of the two stacking orders were obtained under identical growth conditions. Also, resonance Raman and photoluminescence spectra of AA' and AB stacked bilayer MoS2 were obtained on Au nanopyramid surfaces under strong plasmon resonance. Both resonance Raman and photoluminescence spectra show distinct features indicating clear differences in interlayer interaction between these two phases. The implication of these findings on device applications based on spin and valley degrees of freedom.

  7. Imaging findings and pharmacokinetics of 111-indium ZME-018 monoclonal antibody (MoAb) in malignant melanoma

    SciTech Connect (OSTI)

    Murray, J.L.; Rosenblum, M.; Lamki, L.; Haynie, T.P.; Glenn, H.; Jahns, M.; Plager, C.; Hersh, E.M.; Unger, M.; Carlo, D.L.

    1985-05-01

    13 patients with metastatic melanoma were studied using 5 mCi of In-111 labeled MoAb ZME-018 which reacts with GP 240 melanoma-associated antigen. The MoAb was infused over 2 h at doses of 2.5 mg (5 pts), 5 mg (5 pts), and 10 mg (3 pts). Total body tomograms and planar spot views with region of interest analysis were performed at 4, 24 and 72 hours post infusion. No adverse side effects were noted. There was rapid distribution to spleen, bone, bone marrow, liver, and testes. Tumor sites could be visualized as early as 24 hours but were more easily seen at 72 hours when the background activity was less. 20 of 46 (43%) previously documented metastases were identified. More sites imaged with increasing concentrations of MoAB, I.E., 25% at 2.5 mg; 67% at 5 mg; 70% at 10 mg. Tumor localization occurred in a significant number of patients especially at MoAb doses above 2.5 mg. In two instances, uptake of 111-In occurred in previously undiagnosed sites. The pharmacokinetics of MoAb were analyzed at each dose level. At the 5 mg dose, the terminal phase half-life for 111-In in plasma was 24.5 +- 2.7 hours. The apparent volume of distribution (Vd) was 4.03 +- 5iota similar to the plasma value, and the calculated clearance rate for 111-In label was 0.0259 + 0.002 ml/kg/min. Mean urinary excretion of 111-In label was 8.7 +- 0.6% of the administered dose over 48 hours after administration. The calculated pharmacokinetic parameters were independent of antibody dose. ZME 018 was cleared more rapidly from plasma, compared to previous studies with P97 antimelanoma MoAb.

  8. Preparation and immunoreactivity of high specific activity indium-111-DTPA labeled monoclonal antibody (MoAb) using ultrapure indium-111

    SciTech Connect (OSTI)

    Zoghbi, S.S.; Neumann, R.D.; Gottschalk, A.

    1986-10-01

    The preparation of high-specific activity /sup 111/In-DTPA-MoAb without increasing the number of DTPA molecules per Ab was investigated. Instant thin layer chromatography was used to assay the relationship between labeling efficiencies and specific activities. With ultrapurified /sup 111/In, the specific activity of the radiolabeled MoAb approached the expected theoretic maximum of 100 muCi/microgram. The bioactivity of such high-specific activity preparation showed no degradation as measured by in vitro cell binding assay.

  9. MoO3 as combined hole injection layer and tapered spacer in combinatorial multicolor microcavity organic light emitting diodes

    SciTech Connect (OSTI)

    Liu, R.; Xu, Chun; Biswas, Rana; Shinar, Joseph; Shinar, Ruth

    2011-09-01

    Multicolor microcavity ({mu}C) organic light-emitting diode (OLED) arrays were fabricated simply by controlling the hole injection and spacer MoO{sub 3} layer thickness. The normal emission was tunable from {approx}490 to 640 nm and can be further expanded. A compact, integrated spectrometer with two-dimensional combinatorial arrays of {mu}C OLEDs was realized. The MoO{sub 3} yields more efficient and stable devices, revealing a new breakdown mechanism. The pixel current density reaches {approx}4 A/cm{sup 2} and a maximal normal brightness {approx}140 000 Cd/m{sup 2}, which improves photoluminescence-based sensing and absorption measurements.

  10. Enhancing the photocurrent and photoluminescence of single crystal monolayer MoS{sub 2} with resonant plasmonic nanoshells

    SciTech Connect (OSTI)

    Sobhani, Ali [Department of Electrical and Computer Engineering, Rice University, Houston, Texas 77005 (United States); Lauchner, Adam [Department of Physics and Astronomy, Rice University, Houston, Texas 77005 (United States); Najmaei, Sina; Lou, Jun [Department of Materials Science and NanoEngineering, Rice University, Houston, Texas 77005 (United States); Ayala-Orozco, Ciceron; Wen, Fangfang [Department of Chemistry, Rice University, Houston, Texas 77005 (United States); Halas, Naomi J., E-mail: halas@rice.edu [Department of Electrical and Computer Engineering, Rice University, Houston, Texas 77005 (United States); Department of Physics and Astronomy, Rice University, Houston, Texas 77005 (United States)

    2014-01-20

    Monolayer molybdenum disulfide (MoS{sub 2}) produced by controlled vapor-phase synthesis is a commercially promising new two-dimensional material for optoelectronics because of its direct bandgap and broad absorption in the visible and ultraviolet regimes. By tuning plasmonic core-shell nanoparticles to the direct bandgap of monolayer MoS{sub 2} and depositing them sparsely (<1% coverage) onto the material's surface, we observe a threefold increase in photocurrent and a doubling of photoluminescence signal for both excitonic transitions, amplifying but not altering the intrinsic spectral response.

  11. Effects of Oxidation on Oxidation-Resistant Graphite

    SciTech Connect (OSTI)

    Windes, William; Smith, Rebecca; Carroll, Mark

    2015-05-01

    The Advanced Reactor Technology (ART) Graphite Research and Development Program is investigating doped nuclear graphite grades that exhibit oxidation resistance through the formation of protective oxides on the surface of the graphite material. In the unlikely event of an oxygen ingress accident, graphite components within the VHTR core region are anticipated to oxidize so long as the oxygen continues to enter the hot core region and the core temperatures remain above 400C. For the most serious air-ingress accident which persists over several hours or days the continued oxidation can result in significant structural damage to the core. Reducing the oxidation rate of the graphite core material during any air-ingress accident would mitigate the structural effects and keep the core intact. Previous air oxidation testing of nuclear-grade graphite doped with varying levels of boron-carbide (B4C) at a nominal 739C was conducted for a limited number of doped specimens demonstrating a dramatic reduction in oxidation rate for the boronated graphite grade. This report summarizes the conclusions from this small scoping study by determining the effects of oxidation on the mechanical strength resulting from oxidation of boronated and unboronated graphite to a 10% mass loss level. While the B4C additive did reduce mechanical strength loss during oxidation, adding B4C dopants to a level of 3.5% or more reduced the as-fabricated compressive strength nearly 50%. This effectively minimized any benefits realized from the protective film formed on the boronated grades. Future work to infuse different graphite grades with silicon- and boron-doped material as a post-machining conditioning step for nuclear components is discussed as a potential solution for these challenges in this report.

  12. Operation of staged membrane oxidation reactor systems

    DOE Patents [OSTI]

    Repasky, John Michael

    2012-10-16

    A method of operating a multi-stage ion transport membrane oxidation system. The method comprises providing a multi-stage ion transport membrane oxidation system with at least a first membrane oxidation stage and a second membrane oxidation stage, operating the ion transport membrane oxidation system at operating conditions including a characteristic temperature of the first membrane oxidation stage and a characteristic temperature of the second membrane oxidation stage; and controlling the production capacity and/or the product quality by changing the characteristic temperature of the first membrane oxidation stage and/or changing the characteristic temperature of the second membrane oxidation stage.

  13. Ultra Supercritical Steamside Oxidation

    SciTech Connect (OSTI)

    Holcomb, Gordon R.; Cramer, Stephen D.; Covino, Bernard S., Jr.; Bullard, Sophie J.; Ziomek-Moroz, Malgorzata

    2005-01-01

    Ultra supercritical (USC) power plants offer the promise of higher efficiencies and lower emissions, which are goals of the U.S. Department of Energy's Advanced Power Systems Initiatives. Most current coal power plants in the U.S. operate at a maximum steam temperature of 538 C. However, new supercritical plants worldwide are being brought into service with steam temperatures of up to 620 C. Current Advanced Power Systems goals include coal generation at 60% efficiency, which require steam temperatures of up to 760 C. This research examines the steamside oxidation of advanced alloys for use in USC systems, with emphasis placed on alloys for high- and intermediate-pressure turbine sections. Initial results of this research are presented.

  14. Low temperature synthesis of nanocrystalline magnesium aluminate with high surface area by surfactant assisted precipitation method: Effect of preparation conditions

    SciTech Connect (OSTI)

    Mosayebi, Zeinab; Rezaei, Mehran; Catalyst and Advanced Materials Research Laboratory, Chemical Engineering Department, Faculty of Engineering, University of Kashan, Kashan ; Hadian, Narges; Kordshuli, Fazlollah Zareie; Meshkani, Fereshteh

    2012-09-15

    Highlights: ? MgAl{sub 2}O{sub 4} showed a high surface area and nanocrystalline structure. ? Addition of polymeric surfactant affected the structural properties of MgAl{sub 2}O{sub 4}. ? MgAl{sub 2}O{sub 4} prepared with surfactant showed a hollow cylindrical shape. -- Abstract: A surfactant assisted co-precipitation method was employed for the low temperature synthesis of magnesium aluminate spinel with nanocrystalline size and high specific surface area. Pluronic P123 triblock copolymer and ammonia solution were used as surfactant and precipitation agent, respectively. The prepared samples were characterized by thermal gravimetric and differential thermal gravimetric analyses (TG/DTG), X-ray diffraction (XRD), N{sub 2} adsorption (BET) and transmission electron microscopy (TEM) techniques. The effects of several process parameters such as refluxing temperature, refluxing time, pH, P123 to metals mole ratio (P123/metals) and calcination temperature on the structural properties of the samples were investigated. The obtained results showed that, among the process parameters pH and refluxing temperature have a significant effect on the structural properties of samples. The results revealed that increase in pH from 9.5 to 11 and refluxing temperature from 40 C to 80 C increased the specific surface area of prepared samples in the range of 157188 m{sup 2} g{sup ?1} and 162184 m{sup 2} g{sup ?1}, respectively. The XRD analysis showed the single-phase MgAl{sub 2}O{sub 4} was formed at 700 C.

  15. Advanced characterization study of commercial conversion and electrocoating structures on magnesium alloys AZ31B and ZE10A

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

    Brady, Michael P.; Leonard, Donovan N.; Meyer, III, Harry M.; Song, Guang -Ling; Kitchen, Kris; Davis, Bruce; Thompson, J. K.; Unocic, K. A.; Elsentriecy, H. H.

    2016-03-31

    The local metal-coating interface microstructure and chemistry formed on commercial magnesium alloys Mg–3Al–1Zn (AZ31B) and Mg–1Zn–0.25Zr–<0.5Nd (ZE10A, ZEK100 type) were analyzed as-chemical conversion coated with a commercial hexafluoro-titanate/zirconate type + organic polymer based treatment (Bonderite® 5200) and a commercial hexafluoro-zirconate type + trivalent chromium Cr3 + type treatment (Surtec® 650), and after the same conversion coatings followed by electrocoating with an epoxy based coating, Cathoguard® 525. Characterization techniques included scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), and cross-section scanning transmission electron microscopy (STEM). Corrosion behavior was assessed in room temperature saturated aqueous Mg(OH)2 solution with 1 wt.% NaCl. Themore » goal of the effort was to assess the degree to which substrate alloy additions become enriched in the conversion coating, and how the conversion coating was impacted by subsequent electrocoating. Key findings included the enrichment of Al from AZ31B and Zr from ZE10A, respectively, into the conversion coating, with moderate corrosion resistance benefits for AZ31B when Al was incorporated. Varying degrees of increased porosity and modification of the initial conversion coating chemistry at the metal-coating interface were observed after electrocoating. These changes were postulated to result in degraded electrocoating protectiveness. As a result, these observations highlight the challenges of coating Mg, and the need to tailor electrocoating in light of potential degradation of the initial as-conversion coated Mg alloy surface.« less

  16. Ceramic oxide powders and the formation thereof

    DOE Patents [OSTI]

    Katz, Joseph L.; Hung, Cheng-Hung

    1993-01-01

    Ceramic oxide powders and a method for their preparation. Ceramic oxide powders are obtained using a flame process whereby two or more precursors of ceramic oxides are introduced into a counterflow diffusion flame burner wherein said precursors are converted into ceramic oxide powders. The morphology, particle size, and crystalline form of the ceramic oxide powders are determined by process conditions.

  17. Ceramic oxide powders and the formation thereof

    DOE Patents [OSTI]

    Katz, J.L.; Chenghung Hung.

    1993-12-07

    Ceramic oxide powders and a method for their preparation. Ceramic oxide powders are obtained using a flame process whereby two or more precursors of ceramic oxides are introduced into a counterflow diffusion flame burner wherein said precursors are converted into ceramic oxide powders. The morphology, particle size, and crystalline form of the ceramic oxide powders are determined by process conditions. 14 figures.

  18. Catalysts for low temperature oxidation

    DOE Patents [OSTI]

    Toops, Todd J.; Parks, III, James E.; Bauer, John C.

    2016-03-01

    The invention provides a composite catalyst containing a first component and a second component. The first component contains nanosized gold particles. The second component contains nanosized platinum group metals. The composite catalyst is useful for catalyzing the oxidation of carbon monoxide, hydrocarbons, oxides of nitrogen, and other pollutants at low temperatures.

  19. Metal oxide films on metal

    DOE Patents [OSTI]

    Wu, Xin D. (Los Alamos, NM); Tiwari, Prabhat (Los Alamos, NM)

    1995-01-01

    A structure including a thin film of a conductive alkaline earth metal oxide selected from the group consisting of strontium ruthenium trioxide, calcium ruthenium trioxide, barium ruthenium trioxide, lanthanum-strontium cobalt oxide or mixed alkaline earth ruthenium trioxides thereof upon a thin film of a noble metal such as platinum is provided.

  20. Toward epitaxially grown two-dimensional crystal hetero-structures: Single and double MoS{sub 2}/graphene hetero-structures by chemical vapor depositions

    SciTech Connect (OSTI)

    Lin, Meng-Yu [Graduate Institute of Electronics Engineering, National Taiwan University, Taipei, Taiwan (China); Research Center for Applied Sciences, Academia Sinica, Nankang, Taipei, Taiwan (China); Chang, Chung-En [Department of Photonics, National Chiao-Tung University, Hsinchu, Taiwan (China); Wang, Cheng-Hung [Institute of Display, National Chiao-Tung University, Hsinchu, Taiwan (China); Su, Chen-Fung; Chen, Chi [Research Center for Applied Sciences, Academia Sinica, Nankang, Taipei, Taiwan (China); Lee, Si-Chen [Graduate Institute of Electronics Engineering, National Taiwan University, Taipei, Taiwan (China); Lin, Shih-Yen, E-mail: shihyen@gate.sinica.edu.tw [Graduate Institute of Electronics Engineering, National Taiwan University, Taipei, Taiwan (China); Research Center for Applied Sciences, Academia Sinica, Nankang, Taipei, Taiwan (China); Department of Photonics, National Chiao-Tung University, Hsinchu, Taiwan (China)

    2014-08-18

    Uniform large-size MoS{sub 2}/graphene hetero-structures fabricated directly on sapphire substrates are demonstrated with layer-number controllability by chemical vapor deposition (CVD). The cross-sectional high-resolution transmission electron microscopy (HRTEM) images provide the direct evidences of layer numbers of MoS{sub 2}/graphene hetero-structures. Photo-excited electron induced Fermi level shift of the graphene channel are observed on the single MoS{sub 2}/graphene hetero-structure transistors. Furthermore, double hetero-structures of graphene/MoS{sub 2}/graphene are achieved by CVD fabrication of graphene layers on top of the MoS{sub 2}, as confirmed by the cross-sectional HRTEM. These results have paved the possibility of epitaxially grown multi-hetero-structures for practical applications.