Experimental investigation of phase equilibria in the Nb-Si-Ta ternary system

Energy Technology Data Exchange (ETDEWEB)

Li, Jian; Wang, Cuiping; Yao, Jun; Yang, Shuiyuan; Zhan Shi; Liu, Xingjun [Xiamen Univ. (China). Dept. of Materials Science and Engineering; Xiamen Univ. (China). Fujian Provincial Key Laboratory of Materials Genome; Kang, Yongwang [Beijing Institute of Aeronautical Materials (China). Science and Technology on Advanced High Temperature Structural Materials Lab.

2016-12-15

The phase equilibria in the Nb-Si-Ta ternary system at 1 373 K, 1 473 K and 1 573 K were investigated by means of back-scattered electron imaging, electron probe microanalysis and X-ray diffraction. The isothermal sections at 1 373 K, 1 473 K and 1 573 K consist of two three-phase regions and seven two-phase regions, without any ternary compounds. The compounds of NbSi{sub 2} and TaSi{sub 2}, αNb{sub 5}Si{sub 3} and αTa{sub 5}Si{sub 3} form continuous solid solutions, respectively. The solubilities of Nb in Ta{sub 3}Si and Ta{sub 2}Si phases are extremely large, whereas the solubility of Si in the β(Nb, Ta) phase is relatively small.

Mesoporous (Ta, Nb3W7 Modified with Stearic Acid Used as Solid Acids for Esterification

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Fei Chang

2017-01-01

Full Text Available Mesoporous solid acids Ta3W7 and Nb3W7 were prepared from TaCl5 and NbCl5 with WCl6 in the presence of stearic acid (SA via a sol-gel method, respectively. For comparison, mesoporous Ta3W7-P123 mixed oxides and mesoporous Nb3W7-P123 mixed oxides were synthesized in the same way. The catalysts were characterized through TGA, XRD, SEM, TEM, BET, and NH3-TPD. Experimental results showed that Ta3W7-SA and Nb3W7-SA exhibited several advantages such as higher activity, shorter preparation period, lower cost, stronger acid sites, and higher surface area, which had potential to be used as mesoporous heterogeneous catalysts in biodiesel production.

Solid solution strengthening and diffusion in nickel- and cobalt-based superalloys

Energy Technology Data Exchange (ETDEWEB)

Rehman, Hamad ur

2016-07-01

Nickel and cobalt-based superalloys with a γ-γ{sup '} microstructure are known for their excellent creep resistance at high temperatures. Their microstructure is engineered using different alloying elements, that partition either to the fcc γ matrix or to the ordered γ{sup '} phase. In the present work the effect of alloying elements on their segregation behaviour in nickel-based superalloys, diffusion in cobalt-based superalloys and the temperature dependent solid solution strengthening in nickel-based alloys is investigated. The effect of dendritic segregation on the local mechanical properties of individual phases in the as-cast, heat treated and creep deformed state of a nickel-based superalloy is investigated. The local chemical composition is characterized using Electron Probe Micro Analysis and then correlated with the mechanical properties of individual phases using nanoindentation. Furthermore, the temperature dependant solid solution hardening contribution of Ta, W and Re towards fcc nickel is studied. The room temperature hardening is determined by a diffusion couple approach using nanoindentation and energy dispersive X-ray analysis for relating hardness to the chemical composition. The high temperature properties are determined using compression strain rate jump tests. The results show that at lower temperatures, the solute size is prevalent and the elements with the largest size difference with nickel, induce the greatest hardening consistent with a classical solid solution strengthening theory. At higher temperatures, the solutes interact with the dislocations such that the slowest diffusing solute poses maximal resistance to dislocation glide and climb. Lastly, the diffusion of different technically relevant solutes in fcc cobalt is investigated using diffusion couples. The results show that the large atoms diffuse faster in cobalt-based superalloys similar to their nickel-based counterparts.

Solid solution strengthening and diffusion in nickel- and cobalt-based superalloys

International Nuclear Information System (INIS)

Rehman, Hamad ur

2016-01-01

Nickel and cobalt-based superalloys with a γ-γ ' microstructure are known for their excellent creep resistance at high temperatures. Their microstructure is engineered using different alloying elements, that partition either to the fcc γ matrix or to the ordered γ ' phase. In the present work the effect of alloying elements on their segregation behaviour in nickel-based superalloys, diffusion in cobalt-based superalloys and the temperature dependent solid solution strengthening in nickel-based alloys is investigated. The effect of dendritic segregation on the local mechanical properties of individual phases in the as-cast, heat treated and creep deformed state of a nickel-based superalloy is investigated. The local chemical composition is characterized using Electron Probe Micro Analysis and then correlated with the mechanical properties of individual phases using nanoindentation. Furthermore, the temperature dependant solid solution hardening contribution of Ta, W and Re towards fcc nickel is studied. The room temperature hardening is determined by a diffusion couple approach using nanoindentation and energy dispersive X-ray analysis for relating hardness to the chemical composition. The high temperature properties are determined using compression strain rate jump tests. The results show that at lower temperatures, the solute size is prevalent and the elements with the largest size difference with nickel, induce the greatest hardening consistent with a classical solid solution strengthening theory. At higher temperatures, the solutes interact with the dislocations such that the slowest diffusing solute poses maximal resistance to dislocation glide and climb. Lastly, the diffusion of different technically relevant solutes in fcc cobalt is investigated using diffusion couples. The results show that the large atoms diffuse faster in cobalt-based superalloys similar to their nickel-based counterparts.

Multifilamentary superconducting (NbTa)-Sn composite wire by solid-liquid reaction for possible application above 20 tesla

International Nuclear Information System (INIS)

Hong, M.; Hull, G.W. Jr.; Fuchs, E.O.; Holthuis, J.T.

1983-01-01

Nb alloyed with Ta was employed in fabricating multifilamentary composite wires of (NbTa)-Sn using the liquid-infiltration process. The superconducting A15 phase was formed with subsequent heat treatments at 800-950 0 C by the solid-liquid reaction. High inductive Tsub(c)'s of 18.2 K with sharp transition width ( 4 A/cm 2 at 2O T and 4.2 K were obtained. It was found that 2 wt.% Ta in the Nb was sufficient in the enhancement of the overall Jsub(c) at the high fields and in increasing the Hsub(c2) (4.2 K) to 25 T. (Auth.)

Multifilamentary superconducting (NbTa)-Sn composite wire by solid-liquid reaction for possible application above 20 tesla

International Nuclear Information System (INIS)

Hong, M.; Hull, G.W. Jr.; Fuchs, E.O.; Holthuis, J.T.

1983-01-01

Nb alloyed with Ta was employed in fabricating multifilamentary composite wires of (NbTa)-Sn using the liquid-infiltration process. The superconducting A15 phase was formed with subsequent heat treatments at 800-950 0 C by the solid-liquid reaction. High inductive Tsub(c)'s of 18.2 K with sharp transition width ( 4 A/cm 2 at 20 T and 4.2 K were obtained. It was found that 2 wt.% Ta in the Nb was sufficient in the enhancement of the overall Jsub(c) at the high fields and in increasing the Hsub(c2) (4.2 K) to 25 T. (orig.)

Solution chemistry of element 105. Pt. III. Hydrolysis and complex formation of Nb, Ta, Db and Pa in HF and HBr solutions

International Nuclear Information System (INIS)

Pershina, V.; Bastug, T.

1999-01-01

Calculations of the electronic structure of MF 6 - and MBr 6 - complexes of Nb, Ta, Pa and element 105, Db, formed in HF and HBr solutions have been performed using the Dirac-Slater Discrete Variational method. On the basis of results of these calculations, relative values of the free energy change of reactions of complex formation have been determined. The order of the complex formation for both acids is shown to be Pa >> Nb > Db > Ta. Such a sequence is defined by a predominant electrostatic energy of the metal-ligand interaction. The hydrolysis of compounds, as a reverse process, proved to change as Ta > Db > Nb >> Pa. Using the theory of metal extraction by anion exchange, the following trend in the extraction of the anionic species from both the HF and HBr aqueous solutions has been predicted: Pa >> Nb ≥ Db > Ta. The strength of the ML 6 - complexes is shown to decrease from MF 6 , to MCl 6 and further to MBr 6 - which is reflected by shifting the complex formation process to the area of higher acid concentrations. (orig.)

Structures and solid solution mechanisms of pyrochlore phases in the systems Bi{sub 2}O{sub 3}-ZnO-(Nb, Ta){sub 2}O{sub 5}

Energy Technology Data Exchange (ETDEWEB)

Tan, K.B., E-mail: tankb@science.upm.edu.m [Department of Chemistry, Faculty of Science, Universiti Putra Malaysia, 43400 Serdang, Selangor (Malaysia); Khaw, C.C. [Department of Engineering, Universiti Tunku Abdul Rahman, 53300 Setapak, Kuala Lumpur (Malaysia); Lee, C.K. [Academic Science Malaysia, 902-4 Jalan Tun Ismail, 50480 Kuala Lumpur (Malaysia); Zainal, Z. [Department of Chemistry, Faculty of Science, Universiti Putra Malaysia, 43400 Serdang, Selangor (Malaysia); Miles, G.C. [Department of Engineering Materials, The University of Sheffield, Mappin Street, Sheffield, S1 3JD (United Kingdom)

2010-10-22

Research highlights: {yields} Combined XRD and ND Rietveld structural refinement of pyrochlores. {yields} Structures and solid solution mechanisms of Bi-pyrochlores. {yields} Bi and Zn displaced off-centre to different 96g A-site positions. {yields} Summary of composition-structure-property of Bi-pyrochlores. - Abstract: The crystal structures of two pyrochlore phases have been determined by Rietveld refinement of combined X-ray and neutron powder diffraction data. These are stoichiometric, Bi{sub 1.5} ZnTa{sub 1.5}O{sub 7} and non-stoichiometric Bi{sub 1.56}Zn{sub 0.92}Nb{sub 1.44}O{sub 6.86}. In both structures, Zn is distributed over A- and B-sites; Bi and Zn are displaced off-centre, to different 96g A-site positions; of the three sets of oxygen positions, O(1) are full, O(2) contain vacancies and O(3) contain a small number of oxygen, again in both cases. Comparisons between these structures, those of related Sb analogues and literature reports are made.

Synthesis of low loss, thermally stable CexY1-xTiTaO6 microwave ceramics

International Nuclear Information System (INIS)

Padma Kumar, H.; John, Annamma; Vijayakumar, C.; Thomas, J.K.; Varma, Manoj Raama; Solomon, Sam

2009-01-01

Ce x Y 1-x TiTaO 6 ceramics were prepared through the solid-state ceramic route. The materials were sintered in the range 1520-1580 deg. C. The structure of the system was analyzed by X-ray diffraction and Raman spectroscopic methods. The cell parameters of solid solutions were calculated using the least square method. The microstructure was analyzed using scanning electron microscopy. The dielectric constant (ε r ), temperature coefficient of resonant frequency (τ f ) and the unloaded quality factor (Q u ) are measured in the microwave frequency region using cavity resonator method. The dielectric constant increases with higher concentrations of Ce in the solid solutions. Nearly zero temperature coefficient of resonant frequency (τ f ) was obtained for Ce 0.24 Y 0.76 TiTaO 6 . The samples are of high quality factor and are useful electronic materials for microwave applications

Corrosion Characteristics of Ti-xTa Alloys with Ta contents

International Nuclear Information System (INIS)

Kim, H. J.; Choe, H. C.

2013-01-01

The purpose of this study was to investigate corrosion characteristics of Ti-xTa alloys with Ta contents. Ti-xTa alloys used as samples (x=30, 40%) were arc-melted under argon atmosphere of 99.9% purity. Ti-xTa alloys were homogenized for 12hr at 1000 .deg. C and then water quenched. The surface characteristics of Ti-xTa alloys were investigated using optical microscopy (OM) and X-ray diffractometer (XRD). The anodic corrosion behaviors of the specimens were examined through potentiodynamic, potentiostatic and galvanostatic test in 0.9 % NaCl solution at 36.5 ± 1 .deg. C. After corrosion test, the surface characteristics of Ti-xTa alloys were investigated using OM. The microstructure of Ti-Ta alloy showed the beta structure with Ta content. The corrosion resistance of Ti alloy was improved by increasing Ta content and the corrosion morphology of Ti-Ta alloy showed that the site attacked by chloride ion decreased from the active to passive region with Ta content. Potential of Ti-40Ta alloy increased as time increased, whereas, current density of Ti-40Ta alloy decreased as time increased compared to Ti-30 alloy

Concentration and temperature dependence of short-range order in Ni-Ta solid solution using X-ray diffraction method

International Nuclear Information System (INIS)

Khwaja, F.A.; Alam, A.

1980-09-01

Diffuse X-ray scattering investigations about the existence of short-range order (SRO) have been carried out in the Ni-Ta system for different concentrations and annealing temperatures. It is observed that the values of the SRO parameters for the first co-ordination shell have anomalously large negative values for all the samples studied. These values of the α 1 depend upon the annealing temperatures and the concentration of Ta atoms in the Ni-Ta system. The results of the theoretical predictions of the ordering potential obtained using the formulae of the electronic theory of SRO, confirm the existence of very strong attractive correlation between the atoms of the different species in this system. (author)

Electric field gradients at 181Ta sites in HfOx

International Nuclear Information System (INIS)

Darriba, G.N.; Rodriguez, A.M.; Saitovitch, H.; Silva, P.R.J.; Pasquevich, A.F.

2007-01-01

In the present work we report preliminary results about the possibility to study properties of the order-disorder transition in HfO x solid solutions via the determination of the electric field gradient (EFG) at 181 Ta radioactive probes. Oxygen solution into the metal was achieved by arc melting stoichiometric amounts of metallic Hf and HfO 2 under argon atmosphere. Samples of HfO x with x=0.1 and 0.2 were prepared. Two types of samples were used for the perturbed angular correlation (PAC) experiments by doping alternatively with 181 Ta, by neutron irradiation, the metallic Hf or the hafnium oxide. The PAC results on both samples were identical, with disappearing hyperfine signals of the metal and the oxide, showing a complete diffusion of the probes independent of the way of doping. The PAC signal of the HfO x solid solution consisted in a wide distribution of EFGs due to the oxygen disorder. This scheme held even after long thermal treatments at high temperature (several days at 1273K). Annealing treatments at moderate temperature (600K) were also made. In these cases the samples were cooling at a very low rate. These results, together with those obtained by measuring samples below and above the order temperature are reported

MoNbTaV Medium-Entropy Alloy

Directory of Open Access Journals (Sweden)

Hongwei Yao

2016-05-01

Full Text Available Guided by CALPHAD (Calculation of Phase Diagrams modeling, the refractory medium-entropy alloy MoNbTaV was synthesized by vacuum arc melting under a high-purity argon atmosphere. A body-centered cubic solid solution phase was experimentally confirmed in the as-cast ingot using X-ray diffraction and scanning electron microscopy. The measured lattice parameter of the alloy (3.208 Å obeys the rule of mixtures (ROM, but the Vickers microhardness (4.95 GPa and the yield strength (1.5 GPa are about 4.5 and 4.6 times those estimated from the ROM, respectively. Using a simple model on solid solution strengthening predicts a yield strength of approximately 1.5 GPa. Thermodynamic analysis shows that the total entropy of the alloy is more than three times the configurational entropy at room temperature, and the entropy of mixing exhibits a small negative departure from ideal mixing.

Consolidation of W–Ta composites: Hot isostatic pressing and spark and pulse plasma sintering

Energy Technology Data Exchange (ETDEWEB)

Dias, M., E-mail: marta.dias@itn.pt [Instituto de Plasmas e Fusão Nuclear, Instituto Superior Técnico, Universidade de Lisboa, Av. Rovisco Pais, 1049-001 Lisboa (Portugal); Guerreiro, F. [Instituto de Plasmas e Fusão Nuclear, Instituto Superior Técnico, Universidade de Lisboa, Av. Rovisco Pais, 1049-001 Lisboa (Portugal); Correia, J.B. [LNEG, Laboratório Nacional de Energia e Geologia, Estrada do Paço do Lumiar, 1649-038 Lisboa (Portugal); Galatanu, A. [National Institute of Materials Physics, Atomistilor 105 bis Bucharest-Magurele, 077125 Ilfov (Romania); Rosiński, M. [Warsaw University of Technology, Faculty of Materials Science and Engineering, Warsaw (Poland); Monge, M.A.; Munoz, A. [Departamento de Física, Univerdidad Carlos III de Madrid, Avd. de la Universidad 30, 28911 Madrid (Spain); Alves, E. [Instituto de Plasmas e Fusão Nuclear, Instituto Superior Técnico, Universidade de Lisboa, Av. Rovisco Pais, 1049-001 Lisboa (Portugal); Carvalho, P.A. [Instituto de Plasmas e Fusão Nuclear, Instituto Superior Técnico, Universidade de Lisboa, Av. Rovisco Pais, 1049-001 Lisboa (Portugal); CeFEMA, Instituto Superior Técnico, Universidade de Lisboa, Av. Rovisco Pais, 1049-001 Lisboa (Portugal)

2015-10-15

Highlights: • Consolidation of W–Ta composites using three techniques: HIP, SPS and PPS. • Comparison of consolidation methods in terms of W–Ta interdiffusion and densification. • Microstructure analysis in terms of oxides formation. - Abstract: Composites consisting of tantalum fiber/powder dispersed in a nanostructured W matrix have been consolidated by spark and pulse plasma sintering as well as by hot isostatic pressing. The microstructural observations revealed that the tungsten–tantalum fiber composites consolidated by hot isostatic pressing and pulse plasma sintering presented a continuous layer of Ta{sub 2}O{sub 5} phase at the W/Ta interfaces, while the samples consolidated by spark plasma sintering evidenced a Ta + Ta{sub 2}O{sub 5} eutectic mixture due to the higher temperature of this consolidation process. Similar results have been obtained for the tungsten–tantalum powder composites. A (W, Ta) solid solution was detected around the prior nanostructured W particles in tungsten–tantalum powder composites consolidated by spark and pulse plasma sintering. Higher densifications were obtained for composites consolidated by hot isostatic pressing and pulse plasma sintering.

NbTaV-(Ti,W) refractory high-entropy alloys: Experiments and modeling

Energy Technology Data Exchange (ETDEWEB)

Yao, H.W. [Laboratory of Applied Physics and Mechanics of Advanced Materials, College of Materials Science and Engineering, Taiyuan University of Technology, Taiyuan 030024 (China); Qiao, J.W., E-mail: qiaojunwei@gmail.com [Laboratory of Applied Physics and Mechanics of Advanced Materials, College of Materials Science and Engineering, Taiyuan University of Technology, Taiyuan 030024 (China); Gao, M.C., E-mail: michael.gao@netl.doe.gov [National Energy Technology Laboratory, 1450 Queen Ave SW, Albany, OR 97321 (United States); AECOM, P.O. Box 1959, Albany, OR 97321 (United States); Hawk, J.A. [National Energy Technology Laboratory, 1450 Queen Ave SW, Albany, OR 97321 (United States); Ma, S.G. [Institute of Applied Mechanics and Biomedical Engineering, Taiyuan University of Technology, Taiyuan 030024 (China); Zhou, H.F. [Laboratory of Applied Physics and Mechanics of Advanced Materials, College of Materials Science and Engineering, Taiyuan University of Technology, Taiyuan 030024 (China); Zhang, Y. [State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083 (China)

2016-09-30

This study reports the design and development of ductile and strong refractory single-phase high-entropy alloys (HEAs) for high temperature applications, based on NbTaV with addition of Ti and W. Assisted by CALPHAD modeling, a single body-centered cubic solid solution phase was experimentally confirmed in the as-cast ingots using X-ray diffraction and scanning electron microscopy. The observed elemental segregation in each alloy qualitatively agrees with CALPHAD prediction. The Vickers microhardnesses (and yield strengths) of the alloys are about 3 (and 3.5–4.4) times that those estimated from the rule of mixture. While NbTaTiVW shows an impressive yield strength of 1420 MPa with fracture strain of 20%, NbTaTiV exhibits exceptional compressive ductility at room temperature.

Radionuclide solubility control by solid solutions

Energy Technology Data Exchange (ETDEWEB)

Brandt, F.; Klinkenberg, M.; Rozov, K.; Bosbach, D. [Forschungszentrum Juelich GmbH (Germany). Inst. of Energy and Climate Research - Nuclear Waste Management and Reactor Safety (IEK-6); Vinograd, V. [Frankfurt Univ. (Germany). Inst. of Geosciences

2015-07-01

The migration of radionuclides in the geosphere is to a large extend controlled by sorption processes onto minerals and colloids. On a molecular level, sorption phenomena involve surface complexation, ion exchange as well as solid solution formation. The formation of solid solutions leads to the structural incorporation of radionuclides in a host structure. Such solid solutions are ubiquitous in natural systems - most minerals in nature are atomistic mixtures of elements rather than pure compounds because their formation leads to a thermodynamically more stable situation compared to the formation of pure compounds. However, due to a lack of reliable data for the expected scenario at close-to equilibrium conditions, solid solution systems have so far not been considered in long-term safety assessments for nuclear waste repositories. In recent years, various solid-solution aqueous solution systems have been studied. Here we present state-of-the art results regarding the formation of (Ra,Ba)SO{sub 4} solid solutions. In some scenarios describing a waste repository system for spent nuclear fuel in crystalline rocks {sup 226}Ra dominates the radiological impact to the environment associated with the potential release of radionuclides from the repository in the future. The solubility of Ra in equilibrium with (Ra,Ba)SO{sub 4} is much lower than the one calculated with RaSO{sub 4} as solubility limiting phase. Especially, the available literature data for the interaction parameter W{sub BaRa}, which describes the non-ideality of the solid solution, vary by about one order of magnitude (Zhu, 2004; Curti et al., 2010). The final {sup 226}Ra concentration in this system is extremely sensitive to the amount of barite, the difference in the solubility products of the end-member phases, and the degree of non-ideality of the solid solution phase. Here, we have enhanced the fundamental understanding regarding (1) the thermodynamics of (Ra,Ba)SO{sub 4} solid solutions and (2) the

Radiation induced homogeneous precipitation in undersaturated solid-solutions

International Nuclear Information System (INIS)

Cauvin, Richard; Martin, Georges.

1978-01-01

The stability of various types of solid solutions under irradiation is studied. In this paper, observations made on AlZn solid solutions under 1 MeV electron irradiation are reported. Al-Zn was chosen as a prototype of solid solutions with a simple miscibility gap. It is shown that under appropriate irradiation conditions undersaturated AnZn solid solutions give rise to a homogeneous precipitation of coherent G.P. zones and of incoherent Zn precipitates the atomic volume of which is smaller than that of the matrix. We propose a more general treatment of solute concentration heterogeneities in solid solutions under irradiation and suggest how it might account for the nucleation of the observed phases. The growth of the observed precipitates is studied

End-Member Formulation of Solid Solutions and Reactive Transport

Energy Technology Data Exchange (ETDEWEB)

Lichtner, Peter C. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2015-09-01

A model for incorporating solid solutions into reactive transport equations is presented based on an end-member representation. Reactive transport equations are solved directly for the composition and bulk concentration of the solid solution. Reactions of a solid solution with an aqueous solution are formulated in terms of an overall stoichiometric reaction corresponding to a time-varying composition and exchange reactions, equivalent to reaction end-members. Reaction rates are treated kinetically using a transition state rate law for the overall reaction and a pseudo-kinetic rate law for exchange reactions. The composition of the solid solution at the onset of precipitation is assumed to correspond to the least soluble composition, equivalent to the composition at equilibrium. The stoichiometric saturation determines if the solid solution is super-saturated with respect to the aqueous solution. The method is implemented for a simple prototype batch reactor using Mathematica for a binary solid solution. Finally, the sensitivity of the results on the kinetic rate constant for a binary solid solution is investigated for reaction of an initially stoichiometric solid phase with an undersaturated aqueous solution.

Martensitic transformation between competing phases in Ti–Ta alloys: a solid-state nudged elastic band study

International Nuclear Information System (INIS)

Chakraborty, Tanmoy; Rogal, Jutta; Drautz, Ralf

2015-01-01

A combined density functional theory and solid-state nudged elastic band study is presented to investigate the martensitic transformation between β → (α″, ω) phases in the Ti–Ta system. The minimum energy paths along the transformation are calculated and the transformation mechanisms as well as relative stabilities of the different phases are discussed for various compositions. The analysis of the transformation paths is complemented by calculations of phonon spectra to determine the dynamical stability of the β, α″, and ω phase. Our theoretical results confirm the experimental findings that with increasing Ta concentration there is a competition between the destabilisation of the α″ and ω phase and the stabilisation of the high-temperature β phase. (paper)

Sm2FeTaO7 Photocatalyst for Degradation of Indigo Carmine Dye under Solar Light Irradiation

Directory of Open Access Journals (Sweden)

Leticia M. Torres-Martínez

2012-01-01

Full Text Available This paper is focused to study Sm2FeTaO7 pyrochlore-type compound as solar photocatalyst for the degradation of indigo carmine dye in aqueous solution. Sm2FeTaO7 was synthesized by using conventional solid state reaction and sol-gel method. X-ray diffraction results indicated that Sm2FeTaO7 exhibit a monoclinic crystal structure. By scanning electron microscopy analysis, it was observed that sol-gel material presents particle size of around 150 nm. The specific surface area and energy bandgap values were 12 m2 g−1 and 2.0 eV, respectively. The photocatalytic results showed that indigo carmine molecule can be degraded under solar light irradiation using the synthesized materials, sol-gel photocatalyst was 8 times more active than solid state. On the other hand, when Sm2FeTaO7 was impregnated with CuO as cocatalyst the photocatalytic activity was increased because CuO acts as electron trap decreasing electron-hole pair recombination rates.

Electrochemical lithium and sodium intercalation into the tantalum-rich layered chalcogenides Ta2Se and Ta2Te3

International Nuclear Information System (INIS)

Lavela, P.; Tirado, J.L.

1999-01-01

Two-layered tantalum chalcogenides are evaluated as alkali metal intercalation hosts in lithium and sodium electrochemical cells. The metal-rich pseudo-two-dimensional solid Ta 2 Se shows a poor intercalation behaviour. Lithium reacts with the selenide by deintercalating selenium from the blocks of Ta-related b.c.c. structure leading to a collapse of the structure and the formation of tantalum metal. Sodium is reversibly intercalated to a limited extent leading to complex structural changes in the selenide, as revealed by electron diffraction. The two-dimensional telluride Ta 2 Te 3 allows a topotactic intercalation of lithium below 1 F/mol, while a more extended reaction leads to sample amorphization. The better intercalation behaviour of this solid can be related with the one-atom thick metal layer and the van der Waals gap separating tellurium atoms of successive layers. Sodium can be reversibly intercalated into Ta 2 Te 3 in sodium cells which show a good cycling behaviour. Exposure of the intercalated solid to water vapour allows the preparation of hydrated products with a monolayer or a bilayer of water molecules solvating sodium in the interlayer space. (orig.)

Structures of Ta22W4O67 and Ta74W6O203. Pt. 1. Refined structural models using synchrotron radiation

International Nuclear Information System (INIS)

Schmid, S.

1995-01-01

The crystal structures of Ta 22 W 4 O 67 [M r = 5788.19, a = 6.1485 (5), b = 47.6205 (12), c = 3.8559 (3) A, γ = 90.04 (1) , space group = C112/m (non-standard setting), Z = 1, D x = 8.513 g cm -3 , F(000) = 2438] and Ta 74 W 6 O 203 [M r = 17741.06, a = 6.1664 (5), b = 29.2717 (14), c = 3.8731 (2) A, space group = Pbam (no. 55), Z = 0.2, D x = 8.428 g cm -3 , F(000) 1494] were determined using synchrotron radiation at four different wavelengths below the Ta L III edge [λ = 1.2741 (-146 eV), λ = 1.2586 (-26 eV), λ = 1.2571 (-14 eV) and λ = 1.2563 A (-8 eV)]. The collection of data immediately below the Ta L III edge at -8 eV enabled resolution of Ta and W of up to eight electrons, which assisted in the refinement of Ta/W ordering for both structures. Bond valence arguments have been used to locate oxygen vacancies required by the formulae. From the largest data set for Ta 22 W 4 O 67 (λ = 1.2741 A), a final value of 0.0481 for R 1 = Σ parallel F obs (h)vertical stroke - vertical stroke F calc (h) parallel /Σvertical stroke F obs (h)vertical stroke was obtained for 3082 unmerged reflections with I(h) > 3σ[I(h)] and for Ta 74 W 6 O 203 (λ = 1.2563 A) a final value of 0.0571 for R 1 was obtained for 5675 unmerged reflections. The two structures are described from a conventional polyhedral perspective as 13- and 8-times superstructures occurring in the solid solution (1-x)Ta 2 O 5 xWO 3 , 0 ≤ x ≤ 0.267. (orig.)

Dispersion of dielectric permittivity and magnetic properties of solid solution PZT–PFT

Directory of Open Access Journals (Sweden)

Skulski Ryszard

2015-09-01

Full Text Available In this paper we present the results of investigations into ceramic samples of solid solution (1-x(PbZr0.53Ti0.47O3- x(PbFe0.5Ta0.503 (i.e. (1-xPZT-xPFT with x = 0.25, 0.35 and 0.45. We try to find the relation between the character of dielectric dispersion at various temperatures and the composition of this solution. We also describe the magnetic properties of investigated samples. With increasing the content of PFT also mass magnetization and mass susceptibility increase (i.e. magnetic properties are more pronounced at every temperature. The temperature dependences of mass magnetization and re­ciprocal of mass susceptibility have similar runs for all the compositions. However, our magnetic investigations exhibit weak antiferromagnetic ordering instead of the ferromagnetic one at room temperature. We can also say that up to room tempera­ture any magnetic phase transition has not occurred. It may be a result of the conditions of the technological process during producing our PZT-PFT ceramics.

Subsolidus phase relations of the SrO-Ta2O5-CuO system at 900 °C in air

DEFF Research Database (Denmark)

Grivel, Jean-Claude

2009-01-01

The subsolidus phase relations of the SrO–Ta2O5–CuO system were investigated in air. The samples were equilibrated at 900 °C. The ternary oxide Sr3Ta2CuO9 compound is stable under these conditions. This phase presents a solid solution range, its actual composition being Sr3Ta2−xCu1+xO9+δ with 0.......0 ≤ x ≤ 0.2. Up to about 5 at.% Cu can be incorporated in the Sr3−xTa1+xO5.5+δ phase. Similarities with the SrO–Nb2O5–CuO system are discussed....

An update on the thermodynamics of Ta2O5

International Nuclear Information System (INIS)

Jacob, K.T.; Shekhar, Chander; Waseda, Y.

2009-01-01

Using a solid-state electrochemical cell incorporating yttria-doped thoria (YDT) as the electrolyte and a mixture of (Mn + MnO) as the reference electrode, standard Gibbs free energy of formation of β-Ta 2 O 5 has been determined as a function of temperature in the range (1000 to 1300) K. The solid-state electrochemical cell used can be represented as (-)Pt,Ta+Ta 2 O 5 //(Y 2 O 3 )ThO 2 //Mn+MnO,Pt(+) Combining the reversible e.m.f. of the cell with recent data on the free energy of formation of MnO, standard Gibbs free energy of formation of Ta 2 O 5 from Ta metal and diatomic oxygen gas (O 2 ) in the temperature range (1000 to 1300) K is obtained: Δ f G 0 ±0.35/(kJ.mol -1 )=-2004.376+0.40445(T/K). Because of the significant solid solubility of oxygen in tantalum, a small correction for the activity of Ta in the metal phase in equilibrium with Ta 2 O 5 is applied. An analysis of the results obtained in this study and other free energy data reported in the literature by the 'third law' method suggests the need for refining data for Ta 2 O 5 reported in thermodynamic compilations. Used in the analysis is a revised value for standard entropy of Ta 2 O 5 based on more recent low-temperature heat capacity measurements. An improved set of thermodynamic properties of ditantalum pentoxide (Ta 2 O 5 ) are presented in the temperature range (298.15 to 2200) K.

Surface phase transitions in cu-based solid solutions

Science.gov (United States)

Zhevnenko, S. N.; Chernyshikhin, S. V.

2017-11-01

We have measured surface energy in two-component Cu-based systems in H2 + Ar gas atmosphere. The experiments on solid Cu [Ag] and Cu [Co] solutions show presence of phase transitions on the surfaces. Isotherms of the surface energy have singularities (the minimum in the case of copper solid solutions with silver and the maximum in the case of solid solutions with cobalt). In both cases, the surface phase transitions cause deficiency of surface miscibility: formation of a monolayer (multilayer) (Cu-Ag) or of nanoscale particles (Cu-Co). At the same time, according to the volume phase diagrams, the concentration and temperature of the surface phase transitions correspond to the solid solution within the volume. The method permits determining the rate of diffusional creep in addition to the surface energy. The temperature and concentration dependence of the solid solutions' viscosity coefficient supports the fact of the surface phase transitions and provides insights into the diffusion properties of the transforming surfaces.

Oxidative addition of diphenyl disulfide across a Ta=Ta bond. Preparation and characterization of [TaCl3(Me2S)]2(μ-SPh)2

International Nuclear Information System (INIS)

Campbell, G.C.; Canich, J.A.M; Cotton, F.A.; Duraj, S.A.; Haw, J.F.

1986-01-01

The tantalum complex (SMe 2 )Cl 2 Ta(μ-Cl) 2 (μ-SMe 2 )TaCl 2 (SMe 2 ), possessing a sigma 2 π 2 Ta=Ta double bond, reacts readily with PhSSPh to give (SMe 2 )Cl 3 Ta(μ-SPh) 2 TaCl 2 (SMe 2 ). In this reaction, the starting material loses the bridging SMe 2 ligand and two chloride bridges are broken while only two new SPh bridges are formed in the final product. This oxidative-addition reaction of the S-S single bond to the Ta=Ta double bond converts the face-sharing bioctahedron structure of the starting compound to an edge-sharing bioctahedron structure in the final dimer, with concomitant change of the oxidation state of tantalum from III to IV. The product is the first example of a d 1 -d 1 ditantalum thiolate-bridged dimer. Important structural data for (SMe 2 )Cl 3 Ta(μ-SPh) 2 TaCl 3 (SMe 2 ), which has an inversion center, are determined. The new compound crystallizes in the monoclinic space group C2/c with a = 17.934 (5) A, b = 12.445 (4) A, c = 11.705 (4) A, β = 92.50 (3) 0 , V = 2610 (2) A 3 , and Z = 4. Solid-state 13 C NMR spectroscopy with cross polarization and magic-angle spinning (CP/MAS) at 28 and -103 0 C provides evidence that this compound is diamagnetic. 12 references, 3 figures, 4 tables

Phase stability in wear-induced supersaturated Al-Ti solid solution

Energy Technology Data Exchange (ETDEWEB)

Watanabe, Y.; Yokoyama, K. [Dept. of Functional Machinery Mechanics Shinshu Univ., Ueda (Japan); Hosoda, H. [Precision and Intelligence Lab., Tokyo Inst. of Tech., Nagatsuta, Midori-ku, Yokohama (Japan)

2002-07-01

Al-Ti supersaturated solid solutions were introduced by wear testing and the rapid quenching of an Al/Al{sub 3}Ti composite (part of an Al/Al{sub 3}Ti functionally graded material) that was fabricated using the centrifugal method. The phase stability of the supersaturated solid solution was studied through systematic annealing of the supersaturated solid solution. It was found that the Al-Ti supersaturated solid solution decomposed into Al and Al{sub 3}Ti intermetallic compound phases during the heat treatment. The Al-Ti supersaturated solid solutions fabricated were, therefore, not an equilibrium phase, and thus decomposed into the equilibrium phases during heat treatment. It was also found that heat treatment leads to a significant hardness increase for the Al-Ti supersaturated solid solution. Finally, it was concluded that formation of the wear-induced supersaturated solid solution layer was a result of severe plastic deformation. (orig.)

Correlation between thermodynamic and mechanical properties in Ta-W

Energy Technology Data Exchange (ETDEWEB)

Hoppe, Sandra; Mueller, Stefan [Institute of Advanced Ceramics, Hamburg University of Technology, Hamburg (Germany)

2015-07-01

Varying an alloy's concentration or alloying constituents strongly influences its structural and mechanical properties. Modern simulation methods like density functional theory in combination with the cluster expansion make the whole configurational space accessible. This way, also metastable structures may be considered, which are experimentally difficult to obtain. Recent results for several face-centered cubic (fcc) binary metal alloys suggest a linear correlation between thermodynamic stability and elastic properties at a fixed stoichiometry. This study aims to investigate the generality of these findings by considering a similar correlation for binary body-centered cubic (bcc) alloys. As a model system, Ta-W was chosen due to its simple phase diagram with solid solution in the whole concentration range. Interestingly, the elastic constants c{sub 44} and c{sub 12} show an opposing trend to that observed for fcc alloys: Energetically favorable structures are mechanically weaker than those further away from the ground-state line. This phenomenon may be related to the anomalous behavior of c{sub 44} with increasing pressure or temperature, which has been reported in the literature for Ta-W. We will discuss the interesting behavior of Ta-W with regard to its electronic structure.

Solid solution hardening in face centered binary alloys: Gliding statistics of a dislocation in random solid solution by atomistic simulation

International Nuclear Information System (INIS)

Patinet, S.

2009-12-01

The glide of edge and screw dislocation in solid solution is modeled through atomistic simulations in two model alloys of Ni(Al) and Al(Mg) described within the embedded atom method. Our approach is based on the study of the elementary interaction between dislocations and solutes to derive solid solution hardening of face centered cubic binary alloys. We identify the physical origins of the intensity and range of the interaction between a dislocation and a solute atom. The thermally activated crossing of a solute atom by a dislocation is studied at the atomistic scale. We show that hardening of edge and screw segments are similar. We develop a line tension model that reproduces quantitatively the atomistic calculations of the flow stress. We identify the universality class to which the dislocation depinning transition in solid solution belongs. (author)

Anion exchange behavior of Ti, Zr, Hf, Nb and Ta as homologues of Rf and Db in mixed HF-acetone solutions

International Nuclear Information System (INIS)

Aksenov, N.V.; Bozhikov, G.A.; Starodub, G.Ya.; Dmitriev, S.N.; Filosofov, D.V.; Jon Sun Jin; Radchenko, V.I.; Lebedev, N.A.; Novgorodov, A.F.

2009-01-01

We studied in detail the sorption behavior of Ti, Zr, Hf, Nb and Ta on AG 1 anion exchange resin in HF-acetone mixed solutions as a function of organic cosolvent and acid concentrations. Anion exchange behavior was found to be strongly acetone concentration dependent. The distribution coefficients of Ti, Zr, Hf and Nb increased and those of Ta decreased with increasing content of acetone in HF solutions. With increasing HF concentration, anion exchange equilibrium analysis indicated the formation of fluoride complexes of group-4 elements with charge -3 and Ta with charge -2. For Nb the slope of -2 increased up to -5. Optimal conditions for separation of the elements using AIX chromatography were found. Group-4 elements formed MF 7 3- (M = Ti, Zr, Hf) complexes whose sorption decreased Ti > Hf > Zr in reverse order of complex stability. This fact is of particular interest for studying ion exchange behavior of Rf compared to Ti. The advantages of studying chemical properties of Rf and Db in aqueous HF solutions mixed with organic solvents are briefly discussed

Thermotransport in interstitial solid solutions

International Nuclear Information System (INIS)

Fogel'son, R.L.

1982-01-01

On the basis of literature data the problem of thermotransport of impurities (H, N, O, C) in interstitial solid solutions is considered. It is shown that from experimental data on the thermotransport an important parameter of dissolved atoms can be found which characterizes atom state in these solutions-enthalpy of transport

Superhard Rhenium/Tungsten Diboride Solid Solutions.

Science.gov (United States)

Lech, Andrew T; Turner, Christopher L; Lei, Jialin; Mohammadi, Reza; Tolbert, Sarah H; Kaner, Richard B

2016-11-02

Rhenium diboride (ReB 2 ), containing corrugated layers of covalently bonded boron, is a superhard metallic compound with a microhardness reaching as high as 40.5 GPa (under an applied load of 0.49 N). Tungsten diboride (WB 2 ), which takes a structural hybrid between that of ReB 2 and AlB 2 , where half of the boron layers are planar (as in AlB 2 ) and half are corrugated (as in ReB 2 ), has been shown not to be superhard. Here, we demonstrate that the ReB 2 -type structure can be maintained for solid solutions of tungsten in ReB 2 with tungsten content up to a surprisingly large limit of nearly 50 atom %. The lattice parameters for the solid solutions linearly increase along both the a- and c-axes with increasing tungsten content, as evaluated by powder X-ray and neutron diffraction. From micro- and nanoindentation hardness testing, all of the compositions within the range of 0-48 atom % W are superhard, and the bulk modulus of the 48 atom % solid solution is nearly identical to that of pure ReB 2 . These results further indicate that ReB 2 -structured compounds are superhard, as has been predicted from first-principles calculations, and may warrant further studies into additional solid solutions or ternary compounds taking this structure type.

Preparation of NaTaO3 by Spray Pyrolysis and Evaluation of Apparent Photocatalytic Activity for Hydrogen Production from Water

Directory of Open Access Journals (Sweden)

Hyun Woo Kang

2008-01-01

Full Text Available NaTaO3 photocatalyst was prepared by spray pyrolysis process and tested as photocatalyst for water splitting under UV light. Precursor solution was prepared from NaNO3 and Ta(OC2H55 in nitric acid solution and spray-pyrolyzed in air at between 973 and 1273 K. Considerable enhancement of photocatalytic activity was achieved by loading 0.05∼0.2 wt% of NiO on the surface of NaTaO3. The NiO loading was more effective on the NaTaO3 synthesized by spray pyrolysis in comparison with that synthesized by solid-state reaction. The quantum yield (QY of NiO/NaTaO3 photocatalyst was measured by chemical actinometry using potassium ferrioxalate and compared with the apparent photocatalytic activities (APA which would be more useful for the purpose of photocatalytic reactor design than the quantum yield. The apparent photocatalytic activity (APA was defined by the rate of hydrogen production divided by weight of catalyst, volume of reactant mixture, duration of irradiation, and power of UV lamp. The validity of the apparent photocatalytic activity (APA was discussed based on our results and reported activities of NaTaO3 photocatalyst loaded with or without NiO.

Crystal structure and lithium ion conductivity of A-site deficient perovskites La1/3-xLi3xTaO3

International Nuclear Information System (INIS)

Mizumoto, Katsuyoshi; Hayashi, Shinsuke

1997-01-01

The crystal structure and lithium ion conductivity of La 1/3-x Li 3x TaO 3 solid solutions with the A-site deficient perovskite structure have been studied. Single phase solid solutions were obtained in the range of x=0 to 1/6. Change from tetragonal to cubic structure and decrease in the lattice volume were observed with increasing the x value. The maximum conductivity obtained was 7 x 10 -3 S·m -1 at x=0.06. The composition-dependence on the carrier concentration was calculated and compared with conductivity data. (author)

Thermal diffusivity of samarium-gadolinium zirconate solid solutions

International Nuclear Information System (INIS)

Pan, W.; Wan, C.L.; Xu, Q.; Wang, J.D.; Qu, Z.X.

2007-01-01

We synthesized samarium-gadolinium zirconate solid solutions and determined their thermal diffusivities, Young's moduli and thermal expansion coefficients, which are very important for their application in thermal barrier coatings. Samarium-gadolinium zirconate solid solutions have extremely low thermal diffusivity between 20 and 600 deg. C. The solid solutions have lower Young's moduli and higher thermal expansion coefficients than those of pure samarium and gadolinium zirconates. This combination of characteristics is promising for the application of samarium and gadolinium zirconates in gas turbines. The mechanism of phonon scattering by point defects is discussed

Thermophysical Properties of Solid and Liquid Ti-6Al-4V (TA6V) Alloy

Science.gov (United States)

Boivineau, M.; Cagran, C.; Doytier, D.; Eyraud, V.; Nadal, M.-H.; Wilthan, B.; Pottlacher, G.

2006-03-01

Ti-6Al-4V (TA6V) titanium alloy is widely used in industrial applications such as aeronautic and aerospace due to its good mechanical properties at high temperatures. Experiments on two different resistive pulse heating devices (CEA Valduc and TU-Graz) have been carried out in order to study thermophysical properties (such as electrical resistivity, volume expansion, heat of fusion, heat capacity, normal spectral emissivity, thermal diffusivity, and thermal conductivity) of both solid and liquid Ti-6Al-4V. Fast time-resolved measurements of current, voltage, and surface radiation and shadowgraphs of the volume have been undertaken. At TU-Graz, a fast laser polarimeter has been used for determining the emissivity of liquid Ti-6Al-4V at 684.5 nm and a differential scanning calorimeter (DSC) for measuring the heat capacity of solid Ti-6Al-4V. This study deals with the specific behavior of the different solid phase transitions (effect of heating rate) and the melting region, and emphasizes the liquid state ( T > 2000 K).

Solid state synthesis, crystal growth and optical properties of urea and p-chloronitrobenzene solid solution

Energy Technology Data Exchange (ETDEWEB)

Rai, R.N., E-mail: rn_rai@yahoo.co.in [Department of Chemistry, Centre of Advanced Study, Banaras Hindu University, Varanasi 221005 (India); Kant, Shiva; Reddi, R.S.B. [Department of Chemistry, Centre of Advanced Study, Banaras Hindu University, Varanasi 221005 (India); Ganesamoorthy, S. [Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam 603102, Tamilnadu (India); Gupta, P.K. [Laser Materials Development & Devices Division, Raja Ramanna Centre for Advanced Technology, Indore 452013 (India)

2016-01-15

Urea is an attractive material for frequency conversion of high power lasers to UV (for wavelength down to 190 nm), but its usage is hindered due to its hygroscopic nature, though there is no alternative organic NLO crystal which could be transparent up to 190 nm. The hygroscopic character of urea has been modified by making the solid solution (UCNB) of urea (U) and p-chloronitrobenzene (CNB). The formation of the solid solution of CNB in U is explained on the basis of phase diagram, powder XRD, FTIR, elemental analysis and single crystal XRD studies. The solubility of U, CNB and UCNB in ethanol solution is evaluated at different temperatures. Transparent single crystals of UCNB are grown from its saturated solution in ethanol. Optical properties e.g., second harmonic generation (SHG), refractive index and the band gap for UCNB crystal were measured and their values were compared with the parent compounds. Besides modification in hygroscopic nature, UCNB has also shown the higher SHG signal and mechanical hardness in comparison to urea crystal. - Highlights: • The hygroscopic character of urea was modified by making the solid solution • Solid solution formation is support by elemental, powder- and single crystal XRD • Crystal of solid solution has higher SHG signal and mechanical stability. • Refractive index and band gap of solid solution crystal have determined.

Effect of Ta substitution method on the mechanical properties of Ni3(Si,Ti) intermetallic alloy

International Nuclear Information System (INIS)

Imajo, Daiki; Kaneno, Yasuyuki; Takasugi, Takayuki

2013-01-01

In this study, Ta was added to an L1 2 -type Ni 3 (Si,Ti) alloy at different levels and into different substitution sites, substituting for either Ni, Ti or Si. The solubility limits of Ta in the L1 2 phase were 1.9 at%, 5.7 at% and 1.0 at% when Ta substituted for Ni, Ti and Si, respectively. The lattice parameters in the L1 2 phase region increased in the order of the Ta(Ni)>Ta(Si)>Ta(Ti) quaternary alloys, in which Ta substituted for Ni, Si and Ti, respectively. The room-temperature hardness in the L1 2 phase region increased linearly with increasing Ta content, and the increment rate increased in the order of the Ta(Ni)>Ta(Si)>Ta(Ti) quaternary alloys. Similarly, the room-temperature 0.2% proof stress as well as the tensile strength in the L1 2 phase region increased linearly with increasing Ta content, and the increment rate increased in the order of the Ta(Ni)>Ta(Si)>Ta(Ti) quaternary alloys. High tensile elongation was observed at room temperature when the microstructures remain in the L1 2 single phase. At high temperatures, a positive temperature dependence of the hardness as well as the flow strength was observed in the quaternary alloys. It was also shown that the wear resistance of the quaternary Ta(Ti) alloys was improved and attributed to plastically induced hardening of the worn surfaces combined with the positive temperature dependence of the flow strength. The strengthening and hardening resulting from Ta addition was suggested to be due to the hardening of the solid solution arising from the misfits in the atomic radius between Ta and the constituent atoms Ni, Ti or Si

SOLISOL-handling of solid solutions. Version 1.1

International Nuclear Information System (INIS)

Boerjesson, S.; Emren, A.

1992-09-01

SOLISOL is a C computer program designed to model geochemical reactions involving solid solutions. The program searches equilibrium concentrations of the components in the aqueous phase and the solid solution given by limited quantities of the solid solution components. The equilibrium code PHREEQE is used as a subprogram in SOLISOL. Subprograms external to PHREEQE extract information from PHREEQE results, take care of conserved properties, calculate solubilities and produce inputdata for PHREEQE. The essential idea in this process is to calculate solubilities for the components in terms of saturation indices, and give directions to PHREEQE on how to search for the equilibrium under those constraints. (au)

Niobium Nb and tantalum Ta

International Nuclear Information System (INIS)

Busev, A.I.; Tiptsova, V.G.; Ivanov, V.M.

1978-01-01

The basic methods for determining niobium and tantalum in various objects are described. Nb and Ta are separated with the aid of N-benzoyl-N-phenylhydroxylamine by precipitating Nb(5) from a tartaric acid solution with subsequent precipitation of Ta from the filtrate. The gravimetric determination of Nb and Ta in steels is based on their quantitative separation from a diluted solution by way of hydrolysis with subsequent after-precipitation with phenylarsonic acid (in the absence of W). The gravimetric determination of Nb in the presence of W is carried out with the aid of Cupferron. To determine Nb in its carbide, Nb(5) reduced to Nb(3) is titrated with a solution of K 2 Cr 2 O 7 in the presence of phenyl-anthranilic acid. The photometric determination of Nb in tungsten-containing steels and in ores containing Ti, W, Mo and Cr is based on the rhodanide method. Nb is determined in alloys with Zr and Ti photometrically with the aid of 4-(2-pyridylazo)-resorcin and in alloyed steels with the aid of benzhydroxamic acid. The latter complex is extracted with chloroform. This method is used to determine Nb in rocks. The photometric determination of Ta in TiCl 4 is carried out with the aid of pyrogallol, in commercial niobium with the aid of methyl violet, and in steel with the aid of 4-(-pyridylazo)-resorcin. Also described is the polarographic determination of Nb in tantalum pentoxide

Effect of Ta substitution method on the mechanical properties of Ni{sub 3}(Si,Ti) intermetallic alloy

Energy Technology Data Exchange (ETDEWEB)

Imajo, Daiki; Kaneno, Yasuyuki; Takasugi, Takayuki, E-mail: takasugi@mtr.osakafu-u.ac.jp

2013-12-20

In this study, Ta was added to an L1{sub 2}-type Ni{sub 3}(Si,Ti) alloy at different levels and into different substitution sites, substituting for either Ni, Ti or Si. The solubility limits of Ta in the L1{sub 2} phase were 1.9 at%, 5.7 at% and 1.0 at% when Ta substituted for Ni, Ti and Si, respectively. The lattice parameters in the L1{sub 2} phase region increased in the order of the Ta(Ni)>Ta(Si)>Ta(Ti) quaternary alloys, in which Ta substituted for Ni, Si and Ti, respectively. The room-temperature hardness in the L1{sub 2} phase region increased linearly with increasing Ta content, and the increment rate increased in the order of the Ta(Ni)>Ta(Si)>Ta(Ti) quaternary alloys. Similarly, the room-temperature 0.2% proof stress as well as the tensile strength in the L1{sub 2} phase region increased linearly with increasing Ta content, and the increment rate increased in the order of the Ta(Ni)>Ta(Si)>Ta(Ti) quaternary alloys. High tensile elongation was observed at room temperature when the microstructures remain in the L1{sub 2} single phase. At high temperatures, a positive temperature dependence of the hardness as well as the flow strength was observed in the quaternary alloys. It was also shown that the wear resistance of the quaternary Ta(Ti) alloys was improved and attributed to plastically induced hardening of the worn surfaces combined with the positive temperature dependence of the flow strength. The strengthening and hardening resulting from Ta addition was suggested to be due to the hardening of the solid solution arising from the misfits in the atomic radius between Ta and the constituent atoms Ni, Ti or Si.

Multi-component solid solution alloys having high mixing entropy

Science.gov (United States)

Bei, Hongbin

2015-10-06

A multi-component high-entropy alloy includes a composition selected from the following group: VNbTaTiMoWRe, VNbTaTiMoW, VNbTaTiMoRe, VNbTaTiWRe, VNbTaMoWRe, VNbTiMoWRe, VTaTiMoWRe, NbTaTiMoWRe, VNbTaTiMo, VNbTaTiW, VNbTaMoW, VNbTiMoW, VTaTiMoW, NbTaTiMoW, VNbTaTiRe, VNbTaMoRe, VNbTiMoRe, VTaTiMoRe, NbTaTiMoRe, VNbTaWRe, VNbTiWRe, VTaTiWRe, NbTaTiWRe, VNbMoWRe, VTaMoWRe, NbTaMoWRe, VTiMoWRe, NbTiMoWRe, TaTiMoWRe, wherein relative amounts of each element vary by no more than .+-.15 atomic %.

The problem of intermixing of metals possessing no mutual solubility upon explosion welding (Cu–Ta, Fe–Ag, Al–Ta)

International Nuclear Information System (INIS)

Greenberg, B.A.; Ivanov, M.A.; Rybin, V.V.; Elkina, O.A.; Antonova, O.V.; Patselov, A.M.; Inozemtsev, A.V.; Plotnikov, A.V.; Volkova, A.Yu.; Besshaposhnikov, Yu.P.

2013-01-01

On the basis of the results obtained for joints of dissimilar metals such as copper–tantalum and iron–silver, the reason of immiscible suspensions mixing upon explosion welding has been cleared out. It has been found that the interface (plain or wavy) is not smooth and contains inhomogeneities, namely, cusps and local melting zones. The role of granulating fragmentation providing partitioning of initial materials as a main channel of input energy dissipation has been revealed. It has been shown that in joints of metals possessing normal solubility the local melting zones are true solutions, but if metals possess no mutual solubility the local melting zones are colloidal solutions. Realization of either emulsion or suspension variant takes place. The results can be used in the development of new joints of metals possessing no mutual solubility. - Highlights: ► Immiscible pairs Ta/Cu and Fe/Ag are welded successfully by explosive welding. ► Fragmentation provides for partitioning as the main energy dissipation channel. ► Immiscible metals form colloidal solid solutions during solidification. ► Melting and boiling temperatures ratio determines the colloidal solution type. ► Local melting zones being in suspension form enhance welds hardening.

A bona fide two-dimensional percolation model: an insight into the optimum photoactivator concentration in La2/3-xEuxTa2O7 nanosheets

Directory of Open Access Journals (Sweden)

Tadashi C Ozawa, Katsutoshi Fukuda, Yasuo Ebina, Kosuke Kosuda, Akira Sato, Yuichi Michiue, Keiji Kurashima and Takayoshi Sasaki

2011-01-01

Full Text Available La–Eu solid solution nanosheets La2/3−xEuxTa2O7 have been synthesized, and their photoluminescence properties have been investigated. La2/3−xEuxTa2O7 nanosheets were prepared from layered perovskite compounds Li2La2/3−xEuxTa2O7 as the precursors by soft chemical exfoliation reactions. Both the precursors and the exfoliated nanosheets exhibit a decrease in intralayer lattice parameters as the Eu contents increase. However, there is a discontinuity in this trend between the nominal Eu content ranges x≤ 0.3 and x ≥ 0.4. This discontinuity is attributed to the difference in degree of TaO6 octahedra tilting for the La- and Eu-rich phases. La2/3−xEuxTa2O7 nanosheets exhibit red emission, characteristic of the f–f transitions in Eu3+ photoactivators. The photoluminescence emission can be obtained from both host and direct photoactivator excitation. However, photoluminescence emission through host excitation is much more dominant than that through direct photoactivator excitation, and this behavior is consistent with that of all the other rare-earth photoactivated nanosheets reported previously. The absolute photoluminescence quantum efficiency of the La2/3−xEuxTa2O7 nanosheets increases as the experimentally determined Eu contents increase up to x=0.45 and decrease above it. This result is in good agreement with the optimum photoactivator concentration expected from the percolation theory. These solid solution La2/3−xEuxTa2O7 nanosheets are excellent models for validating the theory of optimum photoactivator concentration in the truly two-dimensional photoactivator matrix.

Carbonitrides in the system Ta-TaC-TaN

International Nuclear Information System (INIS)

Ritzhaupt-Kleissl, H.J.

1975-04-01

Specimens have been prepared in the binary section TaC-TaN and the carbon-rich region of the Ta-TaC-TaN system by hot pressing and subsequent homogenisation. It was possible to prepare nitrogen-rich carbonitrides by homogenizing them at 1,800 0 C under a nitrogen-pressure of 50 at up to the composition of 70 mol% TaN/30 mol% TaC. Those carbonitrides containing less than 25 at% nitrogen could be prepared by homogenisation at 2,000 0 C under a nitrogen-pressure of 600 Torr. Subsequent ageing at temperatures of 1,200, 1,300 and 1,400 0 C in high vacuum as well as at 1 at nitrogen resulted in the appearance of precipitations of epsilon-TaN, β-Ta 2 (C,N) and of the zeta-phase. The type amount and shape of the precipitated phases are dependent on the ageing conditions and on the composition the specimens. Single phase specimens with compositions close to the non-metal deficient phase boundary as well as multi-phase carbonitrides with high nitrogen contents and very fine precipitates showed values of the Vickers-hardness up to 3,000 kp/mm 2 at room temperature. With regard to the hot hardness up to a temperature of 1,300 0 C specimens aged in high vacuum were superior to those which were only homogenized as well as to those aged under a nitrogen-pressure of 1 at. On an average the best hardness-values have been found at room temperature as well as at temperatures up to 1,300 0 C for carbonitrides consisting of 50 mol% TaC/50 mol% TaN after homogenisation and subsequent ageing for 40 h at 1,300 0 C. (orig.) [de

NaTaO3 photocatalysts of different crystalline structures for water splitting into H2 and O2

International Nuclear Information System (INIS)

Lin, W.-H.; Cheng, C.; Hu, C.-C.; Teng, H.

2006-01-01

Perovskite-type NaTaO 3 derived from a sol-gel synthesis exhibited a larger surface area and a remarkably higher photocatalytic activity in water splitting than the solid-state synthesized NaTaO 3 . The sol-gel and solid-state NaTaO 3 had different crystalline structures of monoclinic P2/m and orthorhombic Pcmn, respectively. Diffuse reflectance spectra showed that the sol-gel specimen had a slightly larger band gap. The band structure analysis revealed an indirect band gap for the sol-gel NaTaO 3 , contrary to the direct band gap of the solid-state one. The difference in the electronic structure and surface area explained the higher photocatalytic activity of the sol-gel NaTaO 3

Comparative study of Ta, TaN and Ta/TaN bi-layer barriers for Cu-ultra low-k porous polymer integration

International Nuclear Information System (INIS)

Yang, L.Y.; Zhang, D.H.; Li, C.Y.; Foo, P.D.

2004-01-01

Tantalum (Ta), TaN and bilayer Ta/TaN barriers deposited on ultra-low-k porous polymer (ULKPP) and the thermal stability of their structures are comparatively investigated using various techniques. The Ta/ultra-low-k polymer shows the smallest sheet resistance, but the poorest thermal stability, while TaN on the ultra-low-k polymer shows the highest resistance but the best thermal stability. The bi-layer Ta/TaN barrier takes the advantage of both Ta and TaN barriers and gives reasonable resistance and thermal stability. The electrical tests indicate that the Cu lines with the TaN and bi-layer Ta/TaN barriers exhibit the smaller leakage current and higher breakdown voltage compared with the Cu lines with the Ta barrier. The better thermal stability of the TaN and the bi-layer Ta/TaN barriers is mainly due to the amorphous/nanostructure and less grain boundaries of the barriers. In addition, the texture discontinuity at the Ta/TaN interfaces in the bi-layers barrier also plays an important role in reducing mutual diffusion of Ta atoms in the Ta barrier and some atoms in the ultra-low-k porous polymer

Local Variability of the Peierls Barrier of Screw Dislocations in Ta-10W.

Energy Technology Data Exchange (ETDEWEB)

Foiles, Stephen M. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2017-10-01

It is well know that the addition of substitutional elements changes the mechanical behavior of metals, a effect referred to solid solution hardening. For body-centered-cubic (BCC) metals, screw dislocation play a key role in the mechanical properties. Here the detailed modification of the Peierls barrier for screw dislocation motion in Ta with W substitutional atoms is computing using density functional theory (DFT). A reduced order model (ROM) of the influence of W substitution on the Peierls barrier is developed. The mean field change in the Peierls barrier for a Ta10W alloy is determined and shown to be larger than anticipated based on simple elasticity considerations. The ROM could be used in future calculations to determine the local variability of the Peierls barrier and the resultant influence on the motion of screw dislocation in this alloy.

Modelling of initial stages of interstitial solid solution decomposition in bcc metals

Energy Technology Data Exchange (ETDEWEB)

Blanter, M S

1982-01-01

By means of a model of deformation interaction of interstitial atoms added by interlocking of the nearest positions the configuration of cluster of alien atoms intruded into octahedral ..cap alpha..-Fe, V, Nb and Ta interstitially sites is computerized. The cluster structure is determined by elastic properties, of the crystal lattice of the metal-solvent. Clusters in ..cap alpha..-Fe have a plate form in a plane (001) of half lattice period width, in V, Nb and Ta - of monatomic plate in a plane (110). Clusters of interstitials must be sufficiently stable and arise even in solutions low concentration.

Fabrication and Application of (1-x) NaCl+xKCl Solid Solution

International Nuclear Information System (INIS)

Kyi Kyi Lwin

2011-12-01

(1-X)NaCl+xKCl solid solution are prepared by the starting materials NaCl (0.9, 0.95) in equal molar ratio. The solid solutions are heat-treated at various temperature and XRD analyses are carried out for the solid solutions to examine the crystalline phase, crystallographic orientation and lattice parameters. The electrical properties of the solutions are determined by using the conductometer. The solid solutions are utilized as crystal oscillator and outcoming frequencies, capacitances and dielectric constants are also investigated.

Microstructure and Wear Resistance of Laser-Clad (Co, Ni61.2B26.2Si7.8Ta4.8 Coatings

Directory of Open Access Journals (Sweden)

Luan Zhang

2017-10-01

Full Text Available It has been reported that a quaternary Co61.2B26.2Si7.8Ta4.8 alloy is a good glass former and can be laser-clad to an amorphous composite coating with superior hardness and wear resistance. In this paper, alloys with varying Ni contents to substitute for Co are coated on the surface of #45 carbon steel using a 5-kW CO2 laser source for the purpose of obtaining protective coatings. In contrast to the quaternary case, the clad layers are characterized by a matrix of α-(Fe, Co, Ni solid solution plus CoB, Co3B, and Co3Ta types of precipitates. The cladding layer is divided into four regions: Near-surface dendrites, α-(Fe, Co, Ni solid solution plus dispersed particles in the middle zone, columnar bonding zone, and heat-affected area that consists of martensite. The hardness gradually decreases with increasing Ni content, and the maximum hardness occurs in the middle zone. Both the friction coefficient and wear volume are minimized in the alloy containing 12.2% Ni. Compared with the previous cobalt-based quaternary alloy Co61.2B26.2Si7.8Ta4.8, the addition of the Ni element reduces the glass-forming ability and henceforth the hardness and wear resistance of the clad layers.

Estudio de las soluciones de los ferroeléctricos LiNbO3 y LiTaO3

Directory of Open Access Journals (Sweden)

Villafuerte Castrejón, M. E.

2002-06-01

Full Text Available Ceramic compounds LiNbO3 and LiTaO3 have been widely studied in the last years due to their interesting optical and electrical properties (piezoelectricity, piroelectricity, ferroelectricity. For this reason these materials are regarded excellent candidates for technological applications. An important characteristic of these compounds is the facility to form solid solution series, a large number of cations can be accommodated in the lattice and thus different optical and electrical properties have been obtained. In this work a review of LiNbO3 and LiTaO3 solid solutions is presented, the formation mechanisms, cation sites in the unitcell and some of the most representative properties are also included.Los compuestos cerámicos LiNbO3 y LiTaO3 han sido estudiados considerablemente en los últimos años, debido a las interesantes propiedades ópticas y eléctricas (piezoelectricidad, piroelectricidad, ferroelectricidad que presentan. Por estas razones estos materiales se consideran excelentes candidatos para un gran número de aplicaciones tecnológicas. Una característica importante de estos compuestos, es la facilidad con la que forman series de soluciones sólidas, incorporando diferentes cationes en sus redes. Se han obtenido series de soluciones sólidas con cationes de diferente tamaño y diferente carga con la consiguiente variación de las propiedades eléctricas y ópticas. En este trabajo se presenta un resumen de los estudios de las soluciones sólidas de LiNbO3 y LiTaO3, los mecanismos de formación y los sitios que ocupan los cationes en la celda unidad, así como algunas de sus propiedades físicas más representativas.

Heterogeneous Ferroelectric Solid Solutions Phases and Domain States

CERN Document Server

Topolov, Vitaly

2012-01-01

The book deals with perovskite-type ferroelectric solid solutions for modern materials science and applications, solving problems of complicated heterophase/domain structures near the morphotropic phase boundary and applications to various systems with morphotropic phases. In this book domain state–interface diagrams are presented for the interpretation of heterophase states in perovskite-type ferroelectric solid solutions. It allows to describe the stress relief in the presence of polydomain phases, the behavior of unit-cell parameters of coexisting phases and the effect of external electric fields. The novelty of the book consists in (i) the first systematization of data about heterophase states and their evolution in ferroelectric solid solutions (ii) the general interpretation of heterophase and domain structures at changing temperature, composition or electric field (iii) the complete analysis of interconnection domain structures, unit-cell parameters changes, heterophase structures and stress relief.

SEMICONDUCTOR TECHNOLOGY: TaN wet etch for application in dual-metal-gate integration technology

Science.gov (United States)

Yongliang, Li; Qiuxia, Xu

2009-12-01

Wet-etch etchants and the TaN film method for dual-metal-gate integration are investigated. Both HF/HN O3/H2O and NH4OH/H2O2 solutions can etch TaN effectively, but poor selectivity to the gate dielectric for the HF/HNO3/H2O solution due to HF being included in HF/HNO3/H2O, and the fact that TaN is difficult to etch in the NH4OH/H2O2 solution at the first stage due to the thin TaOxNy layer on the TaN surface, mean that they are difficult to individually apply to dual-metal-gate integration. A two-step wet etching strategy using the HF/HNO3/H2O solution first and the NH4OH/H2O2 solution later can fully remove thin TaN film with a photo-resist mask and has high selectivity to the HfSiON dielectric film underneath. High-k dielectric film surfaces are smooth after wet etching of the TaN metal gate and MOSCAPs show well-behaved C-V and Jg-Vg characteristics, which all prove that the wet etching of TaN has little impact on electrical performance and can be applied to dual-metal-gate integration technology for removing the first TaN metal gate in the PMOS region.

Synthesis of (U,Zr)C solid solutions under exothermic conditions

International Nuclear Information System (INIS)

Wang, L.L.; Moore, H.G.; Gladson, J.W.

1993-01-01

The reactions of forming (U,Zr)C solid solutions from their elemental components or similarly less stable reactants such as UC 2 are strongly exothermic due to the high stability of these solid solutions. A simple approach of utilizing this heat of formation energy to assist the solid solution reaction process is to intimately mix the less stable reactant powders and then pressed them into a compact. The compact is then heated to the ignition temperature of the reaction. The feasibility of this reaction method to synthesize (U,Zr)C solid solutions has been demonstrated in this study. The preliminary results also show that both the initial composition and the heating rate have a significant effect on the nature of the reaction process. As expected the degree of powder mixing was also found to affect the completeness of the reaction

CHANGES IN THE ELECTRICAL SURFACE CHARGE AND TRANSPLANTATION PROPERTIES OF TA3 ASCITES TUMOR CELLS DURING SHORT-TERM MAINTENANCE IN AN ISOTONIC SALT SOLUTION

Energy Technology Data Exchange (ETDEWEB)

Tenforde, T. S.; Richards, W. R.; Kelly, L. S.

1980-12-01

TA3 ascites tumor cells maintained in vitro as a dilute suspension in 0.9% NaCl solution (physiological saline) were found to undergo time-dependent degenerative processes leading to alterations in both membrane characteristics and tumor transplantation properties. A 30% decrease in the negative cellular surface charge density occurred within 2 hr. when TA3 cells were incubated in a 0.9% NaCl solution at 23 °C. A similar reduction in negative surface charge density occurred within 0.5 hr. when the medium was maintained at 37 °C. This time-dependent reduction in surface charge was prevented when cellular metabolism was blocked either by maintaining the medium at 4 °C. or by adding 1 mM cyanide ion to a 23 °C medium. TA3 cells incubated as a dilute suspension in 0.9% NaCl solution at 23 °C also exhibited a large 9 time-dependent reduction in proliferative capacity in isogeneic LAF1/J hosts, as indicated by an increase in the tumor dose for 50% mortality (TD50). Lowering the temperature of the medium to 4 °C was observed to slow the onset of the degenerative processes that lead to a decreased transplantability of TA3 cells. The modification in growth properties of TA3 cells maintained in vitro was found to be attributable in part to an alteration in tumor histocompatibility. This effect was demonstrated by comparing the tumor growth kinetics and TD50 values in normal hosts versus hosts that had been immunosuppressed by whole-body irradiation. Following the in vitro maintenance of TA3 cells, nigrosin dye exclusion tests were performed as a means of assessing cell viability. Evidence obtained in this series of experiments indicated that vital staining is an inadequate criterion for judging either the extent of cell membrane damage or the loss of cellular proliferative capacity.

The problem of intermixing of metals possessing no mutual solubility upon explosion welding (Cu-Ta, Fe-Ag, Al-Ta)

Energy Technology Data Exchange (ETDEWEB)

Greenberg, B.A., E-mail: bella@imp.uran.ru [Institute of Metal Physics, Ural Branch, Russian Academy of Sciences, S. Kovalevskoi str. 18, Ekaterinburg, 620990 (Russian Federation); Ivanov, M.A. [Kurdyumov Institute of Metal Physics, National Academy of Sciences of Ukraine, Vernadskogo blvd. 36, Kiev, 03680 (Ukraine); Rybin, V.V. [State Polytechnical University, Politekhnicheskaya str. 29, St. Petersburg, 195251 (Russian Federation); Elkina, O.A.; Antonova, O.V.; Patselov, A.M.; Inozemtsev, A.V.; Plotnikov, A.V.; Volkova, A.Yu. [Institute of Metal Physics, Ural Branch, Russian Academy of Sciences, S. Kovalevskoi str. 18, Ekaterinburg, 620990 (Russian Federation); Besshaposhnikov, Yu.P. [OJSC Ural Chemical Machine Building Plant, Khibinogorskii Lane 33, Ekaterinburg, 620010 (Russian Federation)

2013-01-15

On the basis of the results obtained for joints of dissimilar metals such as copper-tantalum and iron-silver, the reason of immiscible suspensions mixing upon explosion welding has been cleared out. It has been found that the interface (plain or wavy) is not smooth and contains inhomogeneities, namely, cusps and local melting zones. The role of granulating fragmentation providing partitioning of initial materials as a main channel of input energy dissipation has been revealed. It has been shown that in joints of metals possessing normal solubility the local melting zones are true solutions, but if metals possess no mutual solubility the local melting zones are colloidal solutions. Realization of either emulsion or suspension variant takes place. The results can be used in the development of new joints of metals possessing no mutual solubility. - Highlights: Black-Right-Pointing-Pointer Immiscible pairs Ta/Cu and Fe/Ag are welded successfully by explosive welding. Black-Right-Pointing-Pointer Fragmentation provides for partitioning as the main energy dissipation channel. Black-Right-Pointing-Pointer Immiscible metals form colloidal solid solutions during solidification. Black-Right-Pointing-Pointer Melting and boiling temperatures ratio determines the colloidal solution type. Black-Right-Pointing-Pointer Local melting zones being in suspension form enhance welds hardening.

The calcium oxide influence on formation of manganese, calcium pyrovanadate solid solutions

International Nuclear Information System (INIS)

Vatolin, N.A.; Volkova, P.I.; Sapozhnikova, T.V.; Ovchinnikova, L.A.

1988-01-01

The X-ray graphic, derivatographic, microscopic and chemical methods are used to study solid solutions of manganese, calcium pyrovanadates containing 1-10 mass% CaO and the products of interaction of reprocessing charges of vanadium-containing converter slags intended for he formation of manganese and calcium pyrovanadates with additions of calcium oxide within 10-90 mass%. It is established that in the case of 1-6 mass% CaO content in manganese pyrovanadate solid interstitial solutions appear, while at 6-20 mass% CaO - solid substitution solutions form. The results of calculating elementary cell parameters as well as melting temperatures and pyrovanadate solid solution solubility depending on CaO content are presented. The best solubility of introduction solid solutions during vanadium extraction according to the lime technology is found

X-Ray Characterization of Non-Equilibrium Solid Solutions

International Nuclear Information System (INIS)

Brown, A.; Rosdahl, Oe.

1975-01-01

The Rudman approach to composition line broadening in X-ray diffraction patterns, originally designed for the study of diffusion in alloys, is seen to provide a basis for characterizing inhomogeneous solid solutions. Limitations, imposed on this treatment when the cell dimensions of the primary components differ by less than 0.1 A, are attributable to experimental effects such as instrument broadening. These limitations can be overcome by a rigorous numerical treatment of the measured data. Thus, separate elimination of the Kα 2 radiation component followed by iterative deconvolution are advocated for the recovery of the intrinsic broadening. This course of action is made possible chiefly through the availability of large, fast memory computers and primary data recorded in the form of a step scan on punched paper tape. The characteristics of inhomogeneous solid solutions made available by the above treatment are the identity of closely similar, solid solution phases, the frequency distribution curve for a chosen component, and the degree of homogeneity of the X-ray sample

Comparative solution and solid-phase glycosylations toward a disaccharide library

DEFF Research Database (Denmark)

Agoston, K.; Kröger, Lars; Agoston, Agnes

2009-01-01

A comparative study on solution-phase and solid-phase oligosaccharide synthesis was performed. A 16-member library containing all regioisomers of Glc-Glc, Glc-Gal, Gal-Glc, and Gal-Gal disaccharides was synthesized both in solution and on solid phase. The various reaction conditions for different...

On calculation of lattice parameters of refractory metal solid solutions

International Nuclear Information System (INIS)

Barsukov, A.D.; Zhuravleva, A.D.; Pedos, A.A.

1995-01-01

Technique for calculating lattice periods of solid solutions is suggested. Experimental and calculation values of lattice periods of some solid solutions on the basis of refractory metals (V-Cr, Nb-Zr, Mo-W and other) are presented. Calculation error was correlated with experimental one. 7 refs.; 2 tabs

Precipitation of Nd-Ca carbonate solid solution at 25 degrees C

International Nuclear Information System (INIS)

Carroll, S.A.

1993-01-01

The formation of a Nd-Ca carbonate solid solution was studied by monitoring the reactions of calcite with aqueous Nd, orthorhombic NdOHCO 3 (s) with aqueous Ca, and calcite with hexagonal Nd-carbonate solid phase as a function of time at 25 degrees C and controlled pCO 2 (g). All experiments reached steady state after 200 h of reaction. The dominant mechanism controlling the formation of the solid solution was precipitation of a Nd-Ca carbonate phase from the bulk solution as individual crystals or at the orthorhombic NdOHCO 3 (s)-solution interface. The lack of Nd adsorption or solid solution at the calcite-solution interface suggests that the solid solution was orthorhombic and may be modeled as a mixture of orthorhombic NdOHCO 3 (s) and aragonite. Orthorhombic NdOHCO 3 (s) was determined to be the stable Nd-carbonate phase in the Nd-CO 2 -H 2 O system at pCO 2 (g) 0.1 atmospheres at 25 degrees C. The equilibrium constant corrected to zero ionic strength for orthorhombic NdOHCO 3 (s) solubility is 10 10.41(±0.29) for the following: NdOHCO 3 (s) + 3H + = Nd 3+ + CO 2 (g) + H 2 O. Results are discussed in relation to radioactive waste disposal by burial, and specifically in relation to americium chemistry

Robust tribo-mechanical and hot corrosion resistance of ultra-refractory Ta-Hf-C ternary alloy films.

Science.gov (United States)

Yate, Luis; Coy, L Emerson; Aperador, Willian

2017-06-08

In this work we report the hot corrosion properties of binary and ternary films of the Ta-Hf-C system in V 2 O 5 -Na 2 SO 4 (50%wt.-50%wt.) molten salts at 700 °C deposited on AISI D3 steel substrates. Additionally, the mechanical and nanowear properties of the films were studied. The results show that the ternary alloys consist of solid solutions of the TaC and HfC binary carbides. The ternary alloy films have higher hardness and elastic recoveries, reaching 26.2 GPa and 87%, respectively, and lower nanowear when compared to the binary films. The corrosion rates of the ternary alloys have a superior behavior compared to the binary films, with corrosion rates as low as 0.058 μm/year. The combination and tunability of high hardness, elastic recovery, low nanowear and an excellent resistance to high temperature corrosion demonstrates the potential of the ternary Ta-Hf-C alloy films for applications in extreme conditions.

Features of solid solutions composition in magnesium with yttrium alloys

International Nuclear Information System (INIS)

Drits, M.E.; Rokhlin, L.L.; Tarytina, I.E.

1983-01-01

Additional data on features of yttrium solid solutions composition in magnesium in the course of their decomposition investigation in the case of aging are obtianed. The investigation has been carried out on the base of a binary magnesium-yttrium alloy the composition of which has been close to maximum solubility (at eutectic temperature) and magnesium-yttrium alloys additionally doped with zinc. It is shown that higher yttrium solubility in solid magnesium than it has been expected, issueing from the difference in atomic radii of these metals indicates electron yttrium-magnesium atoms interaction. In oversaturated magnesium-yttrium solid solutions at earlier decomposition stages Mg 3 Cd type ordering is observed. At aging temperatures up to 250 deg C and long exposures corresponding to highest strengthening in oversaturated magnesium yttrium solid solutions a rhombic crystal lattice phase with three symmetric orientations is formed

Precipitation in Al–Mg solid solution prepared by solidification under high pressure

International Nuclear Information System (INIS)

Jie, J.C.; Wang, H.W.; Zou, C.M.; Wei, Z.J.; Li, T.J.

2014-01-01

The precipitation in Al–Mg solid solution containing 21.6 at.% Mg prepared by solidification under 2 GPa was investigated. The results show that the γ-Al 12 Mg 17 phase is formed and the β′ phase cannot be observed in the solid solution during ageing process. The precipitation of γ and β phases takes place in a non-uniform manner during heating process, i.e. the γ and β phases are first formed in the interdendritic region, which is caused by the inhomogeneous distribution of Mg atoms in the solid solution solidified under high pressure. Peak splitting of X-ray diffraction patterns of Al(Mg) solid solution appears, and then disappears when the samples are aged at 423 K for different times, due to the non-uniform precipitation in Al–Mg solid solution. The direct transformation from the γ to β phase is observed after ageing at 423 K for 24 h. It is considered that the β phase is formed through a peritectoid reaction of α + γ → β which needs the diffusion of Mg atoms across the interface of α/γ phases. - Highlights: • The γ phase is formed and the β′ phase is be observed in Al(Mg) solid solution. • Peak splitting of XRD pattern of Al(Mg) solid solution appears during aged at 150 °C. • The β phase is formed through a peritectoid reaction of α + γ → β

X-Ray Characterization of Non-Equilibrium Solid Solutions

Energy Technology Data Exchange (ETDEWEB)

Brown, A; Rosdahl, Oe

1975-07-01

The Rudman approach to composition line broadening in X-ray diffraction patterns, originally designed for the study of diffusion in alloys, is seen to provide a basis for characterizing inhomogeneous solid solutions. Limitations, imposed on this treatment when the cell dimensions of the primary components differ by less than 0.1 A, are attributable to experimental effects such as instrument broadening. These limitations can be overcome by a rigorous numerical treatment of the measured data. Thus, separate elimination of the Kalpha{sub 2} radiation component followed by iterative deconvolution are advocated for the recovery of the intrinsic broadening. This course of action is made possible chiefly through the availability of large, fast memory computers and primary data recorded in the form of a step scan on punched paper tape. The characteristics of inhomogeneous solid solutions made available by the above treatment are the identity of closely similar, solid solution phases, the frequency distribution curve for a chosen component, and the degree of homogeneity of the X-ray sample

Bioactivity analysis of the Ta (V doped SiO2–CaO–Na2O–P2O5 ceramics prepared by solid state sintering method

Directory of Open Access Journals (Sweden)

Rehana Zia

2016-02-01

Full Text Available The main objective of the study was to control the degradation rate of material at a higher degradation rate improving the chemical stability of the material. Ta is known to have good chemical resistance, biocompatibility and show no adverse biological response. In the present study, SiO2–Na2O–CaO–P2O5 bioceramics with different Ta2O5 contents was prepared by solid state sintering method at 1000 °C. The as-sintered ceramics were subjected to immersion studies in stimulated body fluid (SBF for 21 days under static condition and characterized by XRD, FTIR, SEM, and AAS. The findings of the research indicate that the addition of Ta2O5 controlled degradability, and all samples showed sufficient bioactivity.

Using the methods of radiospectroscopy (EPR, NMR) to study the nature of the defect structure of solid solutions based on lead zirconate titanate (PZT)

Czech Academy of Sciences Publication Activity Database

Bykov, I. P.; Zagorodniy, A.Y.; Yurchenko, L.P.; Korduban, A.M.; Nejezchleb, K.; Trachevsky, V.V.; Dimza, V.; Jastrabík, Lubomír; Dejneka, Alexandr

2014-01-01

Roč. 61, č. 8 (2014), 1379-1385 ISSN 0885-3010 R&D Projects: GA TA ČR TA01010517; GA ČR GAP108/12/1941 Institutional support: RVO:68378271 Keywords : lead zirconate titanate ( PZT ) * EPR * NMR * XPS spectroscopy Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.512, year: 2014

[Effects of Low-Molecular-Weight Organic Acids on the Speciation of Pb in Purple Soil and Soil Solution].

Science.gov (United States)

Liu, Jiang; Jiang, Tao; Huang, Rong; Zhang, Jin-zhong; Chen, Hong

2016-04-15

Lead (Pb) in purple soil was selected as the research target, using one-step extraction method with 0.01 mol · L⁻¹ sodium nitrate as the background electrolyte to study the release effect of citric acid (CA), tartaric acid (TA) and acetic acid (AC) with different concentrations. Sequential extraction and geochemical model (Visual Minteq v3.0) were applied to analyze and predict the speciation of Pb in soil solid phase and soil solution phase. Then the ebvironmental implications and risks of low-molecule weight organic acid (LMWOA) on soil Pb were analyzed. The results indicated that all three types of LMWOA increased the desorption capacity of Pb in purple soil, and the effect followed the descending order of CA > TA > AC. After the action of LMWOAs, the exchangeable Pb increased; the carbonate-bound Pb and Fe-Mn oxide bound Pb dropped in soil solid phase. Organic bound Pb was the main speciation in soil solution phase, accounting for 45.16%-75.05%. The following speciation of Pb in soil solution was free Pb, accounting for 22.71%-50.25%. For CA and TA treatments, free Pb ions and inorganic bound Pb in soil solution increased with increasing LMWOAs concentration, while organic bound Pb suffered a decrease in this process. An opposite trend for AC treatment was observed compared with CA and TA treatments. Overall, LMWOAs boosted the bioavailability of Pb in purple soil and had a potential risk to contaminate underground water. Among the three LMWOAs in this study, CA had the largest potential to activate soil Pb.

Modelling solid solutions with cluster expansion, special quasirandom structures, and thermodynamic approaches

Science.gov (United States)

Saltas, V.; Horlait, D.; Sgourou, E. N.; Vallianatos, F.; Chroneos, A.

2017-12-01

Modelling solid solutions is fundamental in understanding the properties of numerous materials which are important for a range of applications in various fields including nanoelectronics and energy materials such as fuel cells, nuclear materials, and batteries, as the systematic understanding throughout the composition range of solid solutions for a range of conditions can be challenging from an experimental viewpoint. The main motivation of this review is to contribute to the discussion in the community of the applicability of methods that constitute the investigation of solid solutions computationally tractable. This is important as computational modelling is required to calculate numerous defect properties and to act synergistically with experiment to understand these materials. This review will examine in detail two examples: silicon germanium alloys and MAX phase solid solutions. Silicon germanium alloys are technologically important in nanoelectronic devices and are also relevant considering the recent advances in ternary and quaternary groups IV and III-V semiconductor alloys. MAX phase solid solutions display a palette of ceramic and metallic properties and it is anticipated that via their tuning they can have applications ranging from nuclear to aerospace industries as well as being precursors for particular MXenes. In the final part, a brief summary assesses the limitations and possibilities of the methodologies discussed, whereas there is discussion on the future directions and examples of solid solution systems that should prove fruitful to consider.

Turbulent solutal convection and surface patterning in solid dissolution

International Nuclear Information System (INIS)

Sullivan, T.S.; Liu, Y.; Ecke, R.E.

1996-01-01

We describe experiments in which crystals of NaCl, KBr, and KCl are dissolved from below by aqueous solutions containing concentrations of the respective salts from zero concentration to near saturation. The solution near the solid-liquid interface is gravitationally unstable, producing turbulent hydrodynamic motion similar to thermal convection from a single surface cooled from above. The coupling of the fluid flow with the solid dissolution produces irregular patterns at the solid-liquid interface with a distribution of horizontal length scales. The dissolution mass flux and the pattern length scales are compared with a turbulent boundary layer model. Remarkable agreement is found, showing that the fluid motion controls both the dissolution rate and the interface patterning. copyright 1996 The American Physical Society

Magnetic susceptibilities of Ca/sub y/U/sub 1-y/O/sub 2+x/ solid solutions

International Nuclear Information System (INIS)

Hinatsu, Y.; Fujino, T.

1988-01-01

Magnetic susceptibilities of Ca/sub y/U/sub 1-y/O/sub 2+x/ solid solutions with fluorite structure were measured from 4.2 K to room temperature. An antiferromagnetic transition was observed for all the solid solutions examined in this study (y ≤ 0.33). The Neel temperature of the oxygen-hypostoichiometric solid solutions (x 2 solid solutions, but different from that of (U,Th)O 2 solid solutions. The effective magnetic moment decreased with increasing calcium concentration, which indicates the oxidation of uranium in the solid solutions. From the analysis of the magnetic susceptibility data, it was found that the oxidation state of uranium was either tetravalent or pentavalent. The Neel temperature of the hyperstoichiometric solid solutions (x > 0) did not change appreciably with calcium concentrations. From the comparison of the magnetic susceptibility data of the hypostoichiometric solid solutions with those of the hyperstoichiometric solid solutions, the effect of oxygen vacancies is more significant than that of interstitial oxygens on the decrease of magnetic interactions between uranium ions

Thermal expansion studies on uranium-neodymium mixed oxide solid solutions

International Nuclear Information System (INIS)

Panneerselvam, G.; Venkata Krishnan, R.; Antony, M.P.; Nagarajan, K.

2012-01-01

Uranium-Neodymium mixed oxides solid solutions (U 1-y Nd y ) O 2 (y=0.2-0.95) were prepared by combustion synthesis using citric acid as fuel. Structural characterization and computation of lattice parameter was carried out from room temperature X-ray diffraction measurements. Single-phase fluorite structure was observed up to y=0.80. For solid solutions with y>0.80 additional Nd 2 O 3 lines were visible

Reaction paths and equilibrium end-points in solid-solution aqueous-solution systems

Science.gov (United States)

Glynn, P.D.; Reardon, E.J.; Plummer, Niel; Busenberg, E.

1990-01-01

Equations are presented describing equilibrium in binary solid-solution aqueous-solution (SSAS) systems after a dissolution, precipitation, or recrystallization process, as a function of the composition and relative proportion of the initial phases. Equilibrium phase diagrams incorporating the concept of stoichiometric saturation are used to interpret possible reaction paths and to demonstrate relations between stoichiometric saturation, primary saturation, and thermodynamic equilibrium states. The concept of stoichiometric saturation is found useful in interpreting and putting limits on dissolution pathways, but there currently is no basis for possible application of this concept to the prediction and/ or understanding of precipitation processes. Previously published dissolution experiments for (Ba, Sr)SO4 and (Sr, Ca)C??O3orth. solids are interpreted using equilibrium phase diagrams. These studies show that stoichiometric saturation can control, or at least influence, initial congruent dissolution pathways. The results for (Sr, Ca)CO3orth. solids reveal that stoichiometric saturation can also control the initial stages of incongruent dissolution, despite the intrinsic instability of some of the initial solids. In contrast, recrystallisation experiments in the highly soluble KCl-KBr-H2O system demonstrate equilibrium. The excess free energy of mixing calculated for K(Cl, Br) solids is closely modeled by the relation GE = ??KBr??KClRT[a0 + a1(2??KBr-1)], where a0 is 1.40 ?? 0.02, a1, is -0.08 ?? 0.03 at 25??C, and ??KBr and ??KCl are the mole fractions of KBr and KCl in the solids. The phase diagram constructed using this fit reveals an alyotropic maximum located at ??KBr = 0.676 and at a total solubility product, ???? = [K+]([Cl-] + [Br-]) = 15.35. ?? 1990.

Core level photoemission spectroscopy and chemical bonding in Sr2Ta2O7

DEFF Research Database (Denmark)

Atuchin, V. V.; Grivel, Jean-Claude; Zhang, Z. M.

2009-01-01

Electronic parameters of constituent element core levels of strontium pyrotantalate (Sr2Ta2O7) were measured with X-ray photoelectron spectroscopy (XPS). The Sr2Ta2O7 powder sample was synthesized using standard solid state method. The valence electron transfer on the formation of the Sr-O and Ta......-O bonds was characterized by the binding energy differences between the O 1s and cation core levels, Delta(O-Sr) = BE(O 1s) - BE(Sr 3d(5/2)) and Delta(O-Ta) = BE(O 1s) - BE(Ta 4f(7/2)). The chemical bonding effects were considered on the basis of our XPS results for Sr2Ta2O7 and earlier published...

Synthesis by two methods and crystal structure determination of a new pyrochlore-related compound Sm{sub 2}FeTaO{sub 7}

Energy Technology Data Exchange (ETDEWEB)

Torres-Martinez, Leticia M., E-mail: lettorresg@yahoo.com [Departamento de Ecomateriales y Energia, Facultad de Ingenieria Civil, Universidad Autonoma de Nuevo Leon, Cd. Universitaria, San Nicolas de los Garza, Nuevo Leon 66450 (Mexico); Ruiz-Gomez, Miguel A. [Departamento de Ecomateriales y Energia, Facultad de Ingenieria Civil, Universidad Autonoma de Nuevo Leon, Cd. Universitaria, San Nicolas de los Garza, Nuevo Leon 66450 (Mexico); Facultad de Ciencias Quimicas, Universidad Autonoma de San Luis Potosi, Av. Manuel Nava 6, San Luis Potosi, S.L.P. 78290 (Mexico); Figueroa-Torres, M.Z.; Juarez-Ramirez, Isaias [Departamento de Ecomateriales y Energia, Facultad de Ingenieria Civil, Universidad Autonoma de Nuevo Leon, Cd. Universitaria, San Nicolas de los Garza, Nuevo Leon 66450 (Mexico); Moctezuma, Edgar [Facultad de Ciencias Quimicas, Universidad Autonoma de San Luis Potosi, Av. Manuel Nava 6, San Luis Potosi, S.L.P. 78290 (Mexico); and others

2012-04-16

Graphical abstract: The monoclinic (space group C2/c) structure of a new compound, Sm{sub 2}FeTaO{sub 7} shows an alternating Sm-O and Fe/Ta-O layers. In the Fe/Ta-O layer, Fe/Ta1 and Fe/Ta3 cations are coordinated by six oxygen atoms, forming irregular octahedral interconnected into a hexagonal tungsten bronze (HTB) type network. The HTB layer is a fundamental framework in the pyrohlore-related structure. Highlights: Black-Right-Pointing-Pointer Pyrochlore-related compound Sm{sub 2}FeTaO{sub 7} prepared by solid state reaction and sol-gel. Black-Right-Pointing-Pointer Sm{sub 2}FeTaO{sub 7} crystallizes with a monoclinic crystal structure and space group C2/c. Black-Right-Pointing-Pointer The compound is synthesized by sol-gel at lower temperature and time than solid state. Black-Right-Pointing-Pointer Surface area of sol-gel Sm{sub 2}FeTaO{sub 7} is 10 times higher than that prepared by solid state. - Abstract: This paper reports on the synthesis of a new pyrochlore-related compound Sm{sub 2}FeTaO{sub 7} by both solid state reaction and sol-gel synthesis routes. Structural features were determined by X-ray powder diffraction and Rietveld refinement and were corroborated using Transmission Electron Microscopy (TEM). The results revealed that Sm{sub 2}FeTaO{sub 7} crystallized in the monoclinic system with space group C2/c and the following cell parameters: a = 13.1307(5) Angstrom-Sign , b = 7.5854(3) Angstrom-Sign , c = 11.6425(4) Angstrom-Sign and {beta} = 100.971(2) Degree-Sign . The monoclinic structure of Sm{sub 2}FeTaO{sub 7} showed an arrangement of alternating Sm-O and Fe/Ta-O layers and two types of irregular octahedra of Fe/Ta-O, which are interconnected into a hexagonal tungsten bronze (HTB)-type network. On the other hand, Sm{sub 2}FeTaO{sub 7} prepared by sol-gel was obtained with lower particle sizes than the solid state produced compound. The difference in particle size causes a difference of one order of magnitude in the specific surface area. In

Ion-Exchange Reaction Of A-Site In A2Ta2O6 Pyrochlore Crystal Structure

Directory of Open Access Journals (Sweden)

Matsunami M.

2015-06-01

Full Text Available Na+ or K+ ion rechargeable battery is started to garner attention recently in Place of Li+ ion cell. It is important that A+ site ion can move in and out the positive-electrode materials. When K2Ta2O6 powder had a pyrochlore structure was only dipped into NaOH aqueous solution at room temperature, Na2Ta2O6 was obtained. K2Ta2O6 was fabricated from a tantalum sheet by a hydrothermal synthesize with KOH aqueous solution. When Na2Ta2O6 was dipped into KOH aqueous solution, K2Ta2O6 was obtained again. If KTaO3 had a perovskite structure was dipped, Ion-exchange was not observed by XRD. Because a lattice constant of pyrochlore structure of K-Ta-O system is bigger than perovskite, K+ or Na+ ion could shinny through and exchange between Ta5+ and O2− ion site in a pyrochlore structure. K+ or Na+ ion exchange of A2Ta2O6 pyrochlore had reversibility. Therefore, A2Ta2O6 had a pyrochlore structure can be expected such as Na+ ion rechargeable battery element.

Radiological soil survey adjacent to TA-35, TA-48, TA-50, and TA-55

International Nuclear Information System (INIS)

Purtymun, W.D.; Becker, N.M.; Maes, M.N.

1985-01-01

The 137 Cs concentrations in soil from five new locations (in technical areas where radioactive materials are processed or have been processed) are at or below the maximum levels (1.4 pCi/g) found in regional soils. The 238 Pu and /sup 239,240/Pu soil concentrations at Station 2 were greater than were those found in regional soils (1977 and 1978-1982 Summaries). Station 2 is located south of TA-50. The total uranium soil concentrations exceed regional background concentrations at all stations. However, these levels do not indicate contamination but reflect natural uranium leached from soil derived from the tuff. These concentrations are similar to the data collected in 1977. Uranium concentrations in soils vary and depend on the rock type that has weathered to form the soil. A comparison of the averages and standard deviations of radiochemical analyses collected in 1977 and 1983 indicates only slight variations between the 2 yr. The five new stations established in 1983 will provide long-term monitoring of the possible airborne deposition of contaminants in the areas around TA-35, TA-48, TA-50, and TA-55. Comparing 1977 with 1983 data indicates no significant increase in radioactivity of the soil adjacent to these technical areas

Thermodynamic characteristics of systems with solid solutions composed of crystal hydrates of lanthanide and yttrium chlorides, at 250C. III. Systems of Roozeboom's type IV, with restricted solid solutions

International Nuclear Information System (INIS)

Sokolova, N.P.

1983-01-01

The values of the activity, the activity coefficients, the free energy of mixing and the excess free energy of mixing have been calculated for CeCl 3 -LnCl 3 -H 2 O systems (where Ln identical with Sm, Gd, Dy, Ho, Er, Y) containing solid solutions of types IV and IVa. It is shown that the stability of the solid solutions decreases with increasing difference between the radii of the cations of cerium and the second lanthanide, which enter into the composition of the components of the solid solutions. The factors determining the composition of a liquid solution corresponding to the eutonic point are specified

The effect of microstructure and temperature on the oxidation behavior of two-phase Cr-Cr2X (X=Nb,Ta) alloys

International Nuclear Information System (INIS)

Brady, M.P.; Tortorelli, P.F.

1998-01-01

The oxidation behavior of Cr(X) solid solution (Cr ss ) and Cr 2 X Laves phases (X = Nb, Ta) was studied individually and in combination at 950--1,100 C in air. The Cr ss phase was significantly more oxidation resistant than the Cr 2 X Laves phase. At 950 C, two-phase alloys of Cr-Cr 2 Nb and Cr-Cr 2 Ta exhibited in-situ internal oxidation, in which remnants of the Cr 2 X Laves phase were incorporated into a growing chromia scale. At 1,100 C, the Cr-Cr 2 Nb alloys continued to exhibit in-situ internal oxidation, which resulted in extensive O/N penetration into the alloy ahead of the alloy-scale interface and catastrophic failure during cyclic oxidation. IN contrast, the Cr-Cr 2 Ta alloys exhibited a transition to selective Cr oxidation and the formation of a continuous chromia scale. The oxidation mechanism is interpreted in terms of multiphase oxidation theory

Solid lipid nanoparticles suspension versus commercial solutions for dermal delivery of minoxidil.

Science.gov (United States)

Padois, Karine; Cantiéni, Céline; Bertholle, Valérie; Bardel, Claire; Pirot, Fabrice; Falson, Françoise

2011-09-15

Solid lipid nanoparticles have been reported as possible carrier for skin drug delivery. Solid lipid nanoparticles are produced from biocompatible and biodegradable lipids. Solid lipid nanoparticles made of semi-synthetic triglycerides stabilized with a mixture of polysorbate and sorbitan oleate were loaded with 5% of minoxidil. The prepared systems were characterized for particle size, pH and drug content. Ex vivo skin penetration studies were performed using Franz-type glass diffusion cells and pig ear skin. Ex vivo skin corrosion studies were realized with a method derived from the Corrositex(®) test. Solid lipid nanoparticles suspensions were compared to commercial solutions in terms of skin penetration and skin corrosion. Solid lipid nanoparticles suspensions have been shown as efficient as commercial solutions for skin penetration; and were non-corrosive while commercial solutions presented a corrosive potential. Solid lipid nanoparticles suspensions would constitute a promising formulation for hair loss treatment. Copyright © 2011 Elsevier B.V. All rights reserved.

Low temperature kinetics of In-Cd solid solution decomposition

Czech Academy of Sciences Publication Activity Database

Pal-Val, P.P.; Pal-Val, L.N.; Ostapovets, A.A.; Vaněk, Přemysl

2008-01-01

Roč. 137, - (2008), s. 35-42 ISSN 1012-0394 Institutional research plan: CEZ:AV0Z10100520 Keywords : low temperatures * In-based alloys * solid solutions * isothermal structure instability * Young's modulus * electrical resistivity * phase diagrams Subject RIV: BM - Solid Matter Physics ; Magnetism http://www.scientific.net/3-908451-53-1/35/

NMR-ON of 182Ta and 183Ta in Fe

International Nuclear Information System (INIS)

Allsop, A.L.; Chaplin, D.H.; Murray, D.W.; Stone, N.J.

1980-01-01

Nuclear magnetic resonance has been observed on radioactive 182 Ta and 183 Ta oriented at low temperature in an Fe host, by detection of the change in spatial anisotropy of γ-rays emitted during nuclear decay. By measuring the resonant frequencies of 183 Ta in four different applied magnetic fields the nuclear magnetic moment and hyperfine field have been deduced. These are: vertical stroke μ( 183 Ta;I = 7/2) = 2.28(3)μsub(N) and Bsub(h)sub(f)(TaFe at 0 K) = -67.2(1.3)T. The sin of the ground state of 182 Ta has been determined as I = 3 by comparing resonance results with those obtained in a thermal equilibrium nuclear orientation study. The ratio of the resonant frequencies observed for 182 Ta and 183 Ta at one applied field value yields a magnetic moment for the former of vertical stroke μ( 182 Ta;I = 3) vertical stroke = 2.91(3)μsub(N). The spin lattice relaxation time for 183 TaFe (0.12 at% Ta) at 18 mK in an applied field of 0.5 T has been found to be 40(10)s. (orig.)

Dislocation cross-slip in fcc solid solution alloys

International Nuclear Information System (INIS)

Nöhring, Wolfram Georg; Curtin, W.A.

2017-01-01

Cross-slip is a fundamental process of screw dislocation motion and plays an important role in the evolution of work hardening and dislocation structuring in metals. Cross-slip has been widely studied in pure FCC metals but rarely in FCC solid solutions. Here, the cross-slip transition path in solid solutions is calculated using atomistic methods for three representative systems of Ni-Al, Cu-Ni and Al-Mg over a range of solute concentrations. Studies using both true random alloys and their corresponding average-alloy counterparts allow for the independent assessment of the roles of (i) fluctuations in the spatial solute distribution in the true random alloy randomness and (ii) average alloy properties such as stacking fault energy. The results show that the solute fluctuations dominate the activation energy barrier, i.e. there are large sample-to-sample variations around the average activation barrier. The variations in activation barrier correlate linearly with the energy difference between the initial and final states. The distribution of this energy difference can be computed analytically in terms of the solute/dislocation interaction energies. Thus, the distribution of cross-slip activation energies can be accurately determined from a parameter-free analytic model. The implications of the statistical distribution of activation energies on the rate of cross-slip in real alloys are then identified.

K(3)TaF(8) from laboratory X-ray powder data.

Science.gov (United States)

Smrcok, Lubomír; Cerný, Radovan; Boca, Miroslav; Macková, Iveta; Kubíková, Blanka

2010-02-01

The crystal structure of tripotassium octafluoridotantalate, K(3)TaF(8), determined from laboratory powder diffraction data by the simulated annealing method and refined by total energy minimization in the solid state, is built from discrete potassium cations, fluoride anions and monocapped trigonal-prismatic [TaF(7)](2-) ions. All six atoms in the asymmetric unit are in special positions of the P6(3)mc space group: the Ta and one F atom in the 2b (3m) sites, the K and two F atoms in the 6c (m) sites, and one F atom in the 2a (3m) site. The structure consists of face-sharing K(6) octahedra with a fluoride anion at the center of each octahedron, forming chains of composition [FK(3)](2+) running along [001] with isolated [TaF(7)](2-) trigonal prisms in between. The structure of the title compound is different from the reported structure of Na(3)TaF(8) and represents a new structure type.

Phase segregation in cerium-lanthanum solid solutions

NARCIS (Netherlands)

Belliere, V.; Joorst, G; Stephan, O; de Groot, FMF; Weckhuysen, BM

2006-01-01

Electron energy-loss spectroscopy (EELS) in combination with scanning transmission electron microscopy ( STEM) reveals that the La enrichment at the surface of cerium-lanthanum solid solutions is an averaged effect and that segregation occurs in a mixed oxide phase. This separation occurs within a

Geochemical and numerical modelling of interactions between solid solutions and an aqueous solution. Extension of a reactive transport computer code called Archimede and application to reservoirs diagenesis; Modelisation geochimique et numerique des interactions entre des solutions solides et une solution aqueuse: extension du logiciel de reaction-transport archimede et application a la diagenese des reservoirs

Energy Technology Data Exchange (ETDEWEB)

Nourtier-Mazauric, E.

2003-03-15

This thesis presents a thermodynamic and kinetic model of interactions between a fluid and ideal solid solutions represented by several end-members. The reaction between a solid solution and the aqueous solution results from the competition between the stoichiometric dissolution of the initial solid solution and the co-precipitation of the least soluble solid solution in the fluid at considered time. This model was implemented in ARCHIMEDE, a computer code of reactive transport in porous media, then applied to various examples. In the case of binary solid solutions, a graphical method allowed to determine the compositions of the precipitating solid solutions, with the aid of the end-member chemical potentials. The obtained program could be used to notably model the diagenesis of clayey or carbonated oil reservoirs, or the ground pollutant dispersion. (author)

Synthesis, characterization and thermal expansion studies on thorium-praseodymium mixed oxide solid solutions

International Nuclear Information System (INIS)

Panneerselvam, G.; Antony, M.P.; Srinivasan, T.G.; Vasudeva Rao, P.R.

2010-01-01

Full text: Thorium-praseodymium mixed oxide solid solutions containing 15, 25, 40 and 55 mole percent of praseodymia were synthesized by mixing the solutions of thorium nitrate in water and praseodymium oxide (Pr 6 O 11 ) in conc. HNO 3 . Subsequently, their hydroxides were co-precipitated by the addition of aqueous ammonia. Further the precipitate was dried at 50 deg C, calcined at 600 deg C for 4 hours and sintered at 1200 deg C for 6 h in air. X-ray diffraction measurements were performed for phase identification and lattice parameter derivation. Single-phase fluorite structure was observed for all the compositions. Bulk and theoretical densities of solid solutions were also determined by immersion and X-ray techniques. Thermal expansion coefficients and percentage linear thermal expansion of the solid solutions were determined using high temperature X-ray diffraction technique in the temperature range 300 to 1700 K for the first time. The room temperature lattice constants estimated for above compositions are 0.5578, 0.5565, 0.5545 and 0.5526 nm, respectively. The mean linear thermal expansion coefficients for the solid solutions are 15.48 x 10 -6 K -1 , 18.35 x 10 -6 K -1 , 22.65 x 10 -6 K -1 and 26.95 x 10 -6 K -1 , respectively. The percentage linear thermal expansions in this temperature range are 1.68, 1.89, 2.21 and 2.51 respectively. It is seen that the solid solutions are stable up to 1700 K. It is also seen that the effect and nature of the dopant are the important parameters influencing the thermal expansion of the ThO 2 . The lattice parameter of the solid solutions exhibited a decreasing trend with respect to praseodymia addition. The percentage linear thermal expansion of the solid solutions increases steadily with increasing temperature

Modified Ta/MCM-41 catalysts for enantioselective oxidation of thioanisole

OpenAIRE

Fadhli, Marwa; Khedher, Ilyes; Fraile, José M.

2015-01-01

Ta-MCM41 catalysts have been prepared by grafting of Ta(OEt)5 on MCM41, pre-calcined at three different temperatures (550, 650 and 750 °C). These solids have been modified with two chiral ligands: R-(+)-diethyl l-tartrate (DET) and R-(+)-diisopropyl l-tartrate (DIPT). The formation of the chiral tantalum species and their influence on the structure of MCM41 have been studied by several characterization techniques, such as XRD, FTIR, N2 adsorption isotherms and MAS NMR. The grafted tantalum sp...

Solute-matrix and Solute-Solute Interactions during Supercritical Fluid Extraction of Sea Buckthorn Leaves

Czech Academy of Sciences Publication Activity Database

Sajfrtová, Marie; Sovová, Helena

2012-01-01

Roč. 42, SI (2012), s. 1682-1691 E-ISSN 1877-7058. [International Congress of Chemical and Process Engineering CHISA 2012 and 15th Conference PRES 2012 /20./. Prague, 25.08.2012-29.08.2012] R&D Projects: GA TA ČR TA01010578 Institutional support: RVO:67985858 Keywords : supercritical fluid extraction * sea buckthom leaves * solute-solute interaction Subject RIV: CI - Industrial Chemistry, Chemical Engineering

All-proportional solid-solution Rh–Pd–Pt alloy nanoparticles by femtosecond laser irradiation of aqueous solution with surfactant

Energy Technology Data Exchange (ETDEWEB)

Sarker, Md. Samiul Islam, E-mail: samiul-phy@ru.ac.bd; Nakamura, Takahiro; Sato, Shunichi [Tohoku University, Institute of Multidisciplinary Research for Advanced Materials (Japan)

2015-06-15

Formation of Rh–Pd–Pt solid-solution alloy nanoparticles (NPs) by femtosecond laser irradiation of aqueous solution in the presence of polyvinylpyrrolidone (PVP) or citrate as a stabilizer was studied. It was found that the addition of surfactant (PVP or citrate) significantly contributed to reduce the mean size of the particles to 3 nm for PVP and 10 nm for citrate, which was much smaller than that of the particles fabricated without any surfactants (20 nm), and improved the dispersion state as well as the colloidal stability. The solid-solution formation of the Rh–Pd–Pt alloy NPs was confirmed by the XRD results that the diffraction pattern was a single peak, which was found between the positions corresponding to each pure Rh, Pd, and Pt NPs. Moreover, all the elements were homogeneously distributed in every particle by STEM-EDS elemental mapping, strongly indicating the formation of homogeneous solid-solution alloy. Although the Rh–Pd–Pt alloy NPs fabricated with PVP was found to be Pt rich by EDS observation, the composition of NPs fabricated with citrate almost exactly preserved the feeding ratio of ions in the mixed solution. To our best knowledge, these results demonstrated for the first time, the formation of all-proportional solid-solution Rh–Pd–Pt alloy NPs with well size control.

179Ta and 180Ta structure by transfer reactions

International Nuclear Information System (INIS)

Warde, Elias.

1979-01-01

Transfer reactions (α,t); ( 3 He,d); (p,t) and (p,d) have been used to study the nuclear spectroscopy of 179 Ta and 180 Ta. In 179 Ta, 5/2 - and 9/2 - states of the 1/2(541) configuration have been identified. The core-quasiproton interaction has to be taken into account in order to explain the two-nucleon transfer intensities in the 181 Ta(p,t) 179 Ta reaction. A level scheme has been proposed for 180 Ta for the first time. Especially the ground state is identified with the (1 + ,1) level of the [7/2 + (404)sub(p), 9/2 + (624)sub(n)] configuration and spin (9 - ,9) of the configuration [9/2 - (514)sub(p), 9/2 + (624)sub(n)] has been assigned to the long-lived isomer. From the observed configurations in 180 Ta, the matrix elements of the effective residual interaction vsub(np) have been deduced and compared to theoretical predictions [fr

Ab initio identified design principles of solid-solution strengthening in Al

International Nuclear Information System (INIS)

Ma Duancheng; Friák, Martin; Pezold, Johann von; Raabe, Dierk; Neugebauer, Jörg

2013-01-01

Solid-solution strengthening in six Al–X binary systems is investigated using first-principle methods. The volumetric mismatch parameter and the solubility enthalpy per solute were calculated. We derive three rules for designing solid-solution strengthened alloys: (i) the solubility enthalpy per solute is related to the volumetric mismatch by a power law; (ii) for each annealing temperature, there exists an optimal solute–volume mismatch to achieve maximum strength; and (iii) the strengthening potential of high volumetric mismatch solutes is severely limited by their low solubility. Our results thus show that the thermodynamic properties of the system (here Al–X alloys) set clear upper bounds to the achievable strengthening effects owing to the reduced solubility with increasing volume mismatch. (paper)

Nanocrystalline β-Ta Coating Enhances the Longevity and Bioactivity of Medical Titanium Alloys

Directory of Open Access Journals (Sweden)

Linlin Liu

2016-09-01

Full Text Available A β-Ta nanocrystalline coating was engineered onto a Ti-6Al-4V substrate using a double cathode glow discharge technique to improve the corrosion resistance and bioactivity of this biomedical alloy. The new coating has a thickness of ~40 μm and exhibits a compact and homogeneous structure composed of equiaxed β-Ta grains with an average grain size of ~22 nm, which is well adhered on the substrate. Nanoindentation and scratch tests indicated that the β-Ta coating exhibited high hardness combined with good resistance to contact damage. The electrochemical behavior of the new coating was systematically investigated in Hank’s physiological solution at 37 °C. The results showed that the β-Ta coating exhibited a superior corrosion resistance as compared to uncoated Ti-6Al-4V and commercially pure tantalum, which was attributed to a stable passive film formed on the β-Ta coating. The in vitro bioactivity was studied by evaluating the apatite-forming capability of the coating after seven days of immersion in Hank’s physiological solution. The β-Ta coating showed a higher apatite-forming ability than both uncoated Ti-6Al-4V and commercially pure Ta, suggesting that the β-Ta coating has the potential to enhance functionality and increase longevity of orthopaedic implants.

Atomic layer deposition and properties of mixed Ta2O5 and ZrO2 films

Directory of Open Access Journals (Sweden)

Kaupo Kukli

2017-02-01

Full Text Available Thin solid films consisting of ZrO2 and Ta2O5 were grown by atomic layer deposition at 300 °C. Ta2O5 films doped with ZrO2, TaZr2.75O8 ternary phase, or ZrO2 doped with Ta2O5 were grown to thickness and composition depending on the number and ratio of alternating ZrO2 and Ta2O5 deposition cycles. All the films grown exhibited resistive switching characteristics between TiN and Pt electrodes, expressed by repetitive current-voltage loops. The most reliable windows between high and low resistive states were observed in Ta2O5 films mixed with relatively low amounts of ZrO2, providing Zr to Ta cation ratio of 0.2.

Structural and electronic investigations of PbTa4O11 and BiTa7O19 constructed from α-U3O8 types of layers

Science.gov (United States)

Boltersdorf, Jonathan; Maggard, Paul A.

2015-09-01

The PbTa4O11 and BiTa7O19 phases were prepared by ion-exchange and solid-state methods, respectively, and their structures were characterized by neutron time-of-flight diffraction and Rietveld refinement methods (PbTa4O11, R 3 (No. 146), a=6.23700(2) Å, c=36.8613(1) Å; BiTa7O19, P 6 bar c 2 (No. 188), a=6.2197(2) Å, c=20.02981(9) Å). Their structures are comprised of layers of TaO6 octahedra surrounded by three 7-coordinate Pb(II) cations or two 8-coordinate Bi(III) cations. These layers alternate down the c-axis with α-U3O8 types of single and double TaO7 pentagonal bipyramid layers. In contrast to earlier studies, both phases are found to crystallize in noncentrosymmetric structures. Symmetry-lowering structural distortions within PbTa4O11, i.e. R 3 bar c →R3, are found to be a result of the displacement of the Ta atoms within the TaO7 and TaO6 polyhedra, towards the apical and facial oxygen atoms, respectively. In BiTa7O19, relatively lower reaction temperatures leads to an ordering of the Bi/Ta cations within a lower-symmetry structure, i.e., P63/mcm→ P 6 bar c 2 . In the absence of Bi/Ta site disorder, the Ta-O-Ta bond angles decrease and the Ta-O bond distances increase within the TaO7 double layers. Scanning electron microscopy images reveal two particle morphologies for PbTa4O11, hexagonal rods and finer irregularly-shaped particles, while BiTa7O19 forms as aggregates of irregularly-shaped particles. Electronic-structure calculations confirm the highest-energy valence band states are comprised of O 2p-orbitals and the respective Pb 6s-orbital and Bi 6s-orbital contributions. The lowest-energy conduction band states are composed of Ta 5d-orbital contributions that are delocalized over the TaO6 octahedra and layers of TaO7 pentagonal bipyramids. The symmetry-lowering distortions in the PbTa4O11 structure, and the resulting effects on its electronic structure, lead to its relatively higher photocatalytic activity compared to similar structures without

Thermodynamic properties of solid solutions in the system Ag2S–Ag2Se

International Nuclear Information System (INIS)

Pal’yanova, G.A.; Chudnenko, K.V.; Zhuravkova, T.V.

2014-01-01

We have summarized experimental data on the phase diagram of the system Ag 2 S–Ag 2 Se. Standard thermodynamic functions of four solid solutions in this system have been calculated using the model of regular and subregular solutions: a restricted fcc solid solution γ-Ag 2 S-Ag 2 S 1−x Se x (x 2 S–Ag 2 Se, monoclinic solid solution (α) from Ag 2 S to Ag 2 S 0.4 Se 0.6 , and orthorhombic solid solution (α) from Ag 2 S 0.3 Se 0.7 to the Ag 2 Se. G mix and S mix have been evaluated using the subregular model for asymmetric solution for the region Ag 2 S 0.4 Se 0.6 –Ag 2 S 0.3 Se 0.7 . The thermodynamic data can be used for modeling in complex natural systems and in matters of semiconductor materials

Diffusion kinetics and spinodal decay of quasi-equilibrium solid solutions

International Nuclear Information System (INIS)

Zakharov, M.A.

2000-01-01

Phenomenological theory for rearrangement of solid solutions with the hierarchy of the component atomic mobilities is elaborated in the approximation of the local equilibrium. The hydrodynamic stage of the evolution of these solutions is studied as a sequence of quasi-equilibrium states characterized by implementation of some conditions of the total equilibrium. On the basis of separation of fast and slow constituents of diffusion and on the basis of the method of reduced description one derived equation for evolution of separations of fast components in quasi-equilibrium solid solutions at the arbitrary stages of rearrangement in terms of the generalized lattice model taking account of the proper volumes of the components. The conditions of the stability of quasi-equilibrium solutions to the spinodal decomposition are determined and the equations of metastability boundaries of such systems are derived [ru

Solid solution in Al-4.5 wt% Cu produced by mechanical alloying

International Nuclear Information System (INIS)

Fogagnolo, J.B.; Amador, D.; Ruiz-Navas, E.M.; Torralba, J.M.

2006-01-01

Mechanical alloying has been used to produce oxide dispersion strengthened alloys, intermetallic compounds, aluminium alloys and to obtain nanostructured and amorphous materials, as well as to extend the solid solution limit. In this work, Al and Cu elemental powders were subjected to high-energy milling to produce Al-4.5 wt% Cu powder alloy. The powders obtained were characterized by scanning electron microscopy, X-ray diffraction (XRD) and differential scanning calorimetry (DSC), aiming to explore if the copper is present in solid solution or as small particles after high-energy milling. Related to the formation of a supersaturated solid solution, the results of scanning electron microscopy and X-ray diffraction are non-conclusive: the copper could be dispersed with a very small size, undetectable to both techniques. The Al 2 Cu precipitation at temperatures between 160 and 230 deg. C, verified by DSC and XRD analyses, substantiated that mechanical alloying had produced a supersaturated solid solution of copper in aluminium. The crystallite size as a function of milling time and annealing temperature was also determined by X-ray techniques

Stoichiometry behavior of TaN, TaCN and TaC thin films produced by magnetron sputtering

International Nuclear Information System (INIS)

Vargas, M.; Castillo, H.A.; Restrepo-Parra, E.; De La Cruz, W.

2013-01-01

Thin films were synthesized in a magnetron sputtering system using a target of Ta with 99.99% purity and silicon substrates (1 1 1). The gases used for the film growth were (Ar + N 2 ), (Ar + CH 4 + N 2 ) and (Ar + CH 4 ) mixtures for TaN, TaCN and TaC, respectively. The substrate temperature increased from room temperature to 500 °C. The chemical composition and bonding configuration were examined using X-ray photoelectron spectroscopy (XPS), revealing Ta-N, Ta-C-N, Ta-C and C-C bonds. Moreover, the crystallographic structure was analyzed using X-ray diffraction (XRD), indicating the presence of (1 1 1) and (2 0 0) planes belonging to a face-centered cubic structure. The stoichiometry variation dependence on the CH 4 and N 2 flow was analyzed, and the influence of the substrate temperature on the coatings was investigated. Finally, scanning electron microscopy (SEM) was used to determine the evolution on the grain formation in the coatings as the substrate temperature increased.

Stoichiometry behavior of TaN, TaCN and TaC thin films produced by magnetron sputtering

Energy Technology Data Exchange (ETDEWEB)

Vargas, M. [Centro de Nanociencia y Nanotecnología, Universidad Nacional Autónoma de México, A.P. 2681, C.P. 22860, Ensenada, B.C. (Mexico); Castillo, H.A. [Centro de Enseñanza Técnica y Superior, CETYS Universidad, Campus Tijuana, Tijuana, B.C. (Mexico); Restrepo-Parra, E., E-mail: erestrepopa@unal.edu.co [Universidad Nacional de Colombia Sede Medellín Colombia, Facultad de Minas, Manizales (Colombia); De La Cruz, W. [Centro de Nanociencia y Nanotecnología, Universidad Nacional Autónoma de México, A.P. 2681, C.P. 22860, Ensenada, B.C. (Mexico)

2013-08-15

Thin films were synthesized in a magnetron sputtering system using a target of Ta with 99.99% purity and silicon substrates (1 1 1). The gases used for the film growth were (Ar + N{sub 2}), (Ar + CH{sub 4} + N{sub 2}) and (Ar + CH{sub 4}) mixtures for TaN, TaCN and TaC, respectively. The substrate temperature increased from room temperature to 500 °C. The chemical composition and bonding configuration were examined using X-ray photoelectron spectroscopy (XPS), revealing Ta-N, Ta-C-N, Ta-C and C-C bonds. Moreover, the crystallographic structure was analyzed using X-ray diffraction (XRD), indicating the presence of (1 1 1) and (2 0 0) planes belonging to a face-centered cubic structure. The stoichiometry variation dependence on the CH{sub 4} and N{sub 2} flow was analyzed, and the influence of the substrate temperature on the coatings was investigated. Finally, scanning electron microscopy (SEM) was used to determine the evolution on the grain formation in the coatings as the substrate temperature increased.

Hydrothermal crystallization of zirconia and zirconia solid solutions

International Nuclear Information System (INIS)

Pyda, W.; Haberko, K.; Bucko, M.M.

1991-01-01

Zirconia as well as yttria-zirconia and calcia-zirconia solid-solution powders were crystallized under hydrothermal conditions from (co)precipitated hydroxides. The morphology of the power particles is strongly dependent on the crystallization conditions. The powders crystallized in a water solution of Na, K, and Li hydroxides show elongated particles of much larger sizes than those which result from the process carried out in pure water or a water solution of Na, K, or Li chlorides. The shapes of the latter particles are isometric. In this paper the growth mechanism of the elongated particles is suggested

A thermodynamic model for solid solutions and its application to the C-Fe-Co, C-Fe-Ni and Mn-Cr-Pt solid dilutions

International Nuclear Information System (INIS)

Tao, D.P.

2004-01-01

Based on the free volume theory and the lattice model, the partition functions of pure solids and their mixtures were expressed. This resulted in the establishment of a thermodynamic model for solid solutions. The model naturally combines the excess entropy and excess enthalpy of a solution by means of new expressions of the configurational partition functions of solids and their mixtures derived from statistical thermodynamics, which is approximate to real solid solutions, that is S E ≠0 (V E ≠0) and H E ≠0. It can describe the thermodynamic properties of partially miscible systems and predict the thermodynamic properties in a multicomponent solid solution system using only the related binary infinite dilute activity coefficients. The predicted activity coefficients from the model are in good agreement with the experimental data of the ternary solid dilutions. This shows that the prediction effect of the proposed model is of better stability and reliability because it has a good physical basis

Density of thermal vacancies in γ-Ti-Al-M, M = Si, Cr, Nb, Mo, Ta or W

International Nuclear Information System (INIS)

Woodward, C.; Kajihara, S.

1999-01-01

Modifications to alloy chemistry are often used to tailor the intrinsic flow behavior of structural materials. Models of creep in intermetallic alloys must account for the influence of chemistry on the available intrinsic creep mechanisms. As in simple metals the presence of vacancies strongly influences bulk diffusion processes in these materials. Limiting the density of constitutional and thermal vacancies by alloying may produce materials with enhanced creep properties. The energy of intrinsic and substitutional point defects in L1 0 TiAl is calculated within a first principles, local density functional theory framework. Relaxed structures and energies for vacancies, antisites and solid solutions are calculated using a plane-wave-pseudopotential method. Calculated defect energies are used within a canonical ensemble formalism to estimate the point defect densities as a function of temperature and composition. The density of vacancies is found to be sensitive to the underlying stoichiometry of TiAl. The dependence of the vacancy concentration for solid solutions of Si, Cr, Nb, Mo, Ta and W is also predicted

Magnetic clusters in ilmenite-hematite solid solutions

DEFF Research Database (Denmark)

Frandsen, Cathrine; Burton, B. P.; Rasmussen, Helge Kildahl

2010-01-01

We report the use of high-field 57Fe Mössbauer spectroscopy to resolve the magnetic ordering of ilmenite-hematite [xFeTiO3−(1−x)Fe2O3] solid solutions with x>0.5. We find that nanometer-sized hematite clusters exist within an ilmenite-like matrix. Although both phases are antiferromagnetically...

EPR of gamma irradiated solid sucrose and UV spectra of its solution. An attempt for calibration of solid state/EPR dosimetry

International Nuclear Information System (INIS)

Yordanov, N.D.; Karakirova, Y.

2007-01-01

A simple new approach for independent calibration of solid state/EPR (SS/EPR) dosimetry system is reported. It is based on the fact that: (i) gamma-irradiation of solid sucrose (sugar) induces stable EPR detectable free radicals accompanied by UV detectable brown colour stable in the solid state and in solution; (ii) both the EPR intensity of gamma-irradiated solid sucrose and its solution UV absorbance linearly depend on the absorbed dose high energy radiation and may be independently used for dosimetric purpose; (iii) UV spectrometers are calibrated. The correlation between EPR response and absorbed dose radiation of solid sucrose and UV absorption of its solutions is used in the present communication for calibration purpose. The procedure of sucrose extraction from sucrose-paraffin dosimeters is described. The calibration procedure may be applied to any other (alanine, self-calibrated, etc.) SS/EPR dosimeters, simultaneously irradiated with sucrose

The elastic solid solution model for minerals at high pressures and temperatures

Science.gov (United States)

Myhill, R.

2018-02-01

Non-ideality in mineral solid solutions affects their elastic and thermodynamic properties, their thermobaric stability, and the equilibrium phase relations in multiphase assemblages. At a given composition and state of order, non-ideality in minerals is typically modelled via excesses in Gibbs free energy which are either constant or linear with respect to pressure and temperature. This approach has been extremely successful when modelling near-ideal solutions. However, when the lattice parameters of the solution endmembers differ significantly, extrapolations of thermodynamic properties to high pressures using these models may result in significant errors. In this paper, I investigate the effect of parameterising solution models in terms of the Helmholtz free energy, treating volume (or lattice parameters) rather than pressure as an independent variable. This approach has been previously applied to models of order-disorder, but the implications for the thermodynamics and elasticity of solid solutions have not been fully explored. Solid solution models based on the Helmholtz free energy are intuitive at a microscopic level, as they automatically include the energetic contribution from elastic deformation of the endmember lattices. A chemical contribution must also be included in such models, which arises from atomic exchange within the solution. Derivations are provided for the thermodynamic properties of n-endmember solutions. Examples of the use of the elastic model are presented for the alkali halides, pyroxene, garnet, and bridgmanite solid solutions. Elastic theory provides insights into the microscopic origins of non-ideality in a range of solutions, and can make accurate predictions of excess enthalpies, entropies, and volumes as a function of volume and temperature. In solutions where experimental data are sparse or contradictory, the Helmholtz free energy approach can be used to assess the magnitude of excess properties and their variation as a function

Lithium ion diffusion measurements on a garnet-type solid conductor Li6.6La3Zr1.6Ta0.4O12 by using a pulsed-gradient spin-echo NMR method.

Science.gov (United States)

Hayamizu, Kikuko; Matsuda, Yasuaki; Matsui, Masaki; Imanishi, Nobuyuki

2015-09-01

The garnet-type solid conductor Li7-xLa3Zr2-xTaxO12 is known to have high ionic conductivity. We synthesized a series of compositions of this conductor and found that cubic Li6.6La3Zr1.6Ta0.4O12 (LLZO-Ta) has a high ionic conductivity of 3.7×10(-4)Scm(-1) at room temperature. The (7)Li NMR spectrum of LLZO-Ta was composed of narrow and broad components, and the linewidth of the narrow component varied from 0.69kHz (300K) to 0.32kHz (400K). We carried out lithium ion diffusion measurements using pulsed-field spin-echo (PGSE) NMR spectroscopy and found that echo signals were observed at T≥313K with reasonable sensitivity. The lithium diffusion behavior was measured by varying the observation time and pulsed-field gradient (PFG) strength between 313 and 384K. We found that lithium diffusion depended significantly on the observation time and strength of the PFG, which is quite different from lithium ion diffusion in liquids. It was shown that lithium ion migration in the solid conductor was distributed widely in both time and space. Copyright © 2015 Elsevier Inc. All rights reserved.

Influence of isotopic disorder on solid state amorphization and polyamorphism in solid H2O -D2O solutions

Science.gov (United States)

Gromnitskaya, E. L.; Danilov, I. V.; Lyapin, A. G.; Brazhkin, V. V.

2015-10-01

We present a low-temperature and high-pressure ultrasonic study of elastic properties of isotopic H2O-D2O solid solutions, comparing their properties with those of the isotopically pure H2O and D2O ices. Measurements were carried out for solid state amorphization (SSA) from 1h to high-density amorphous (HDA) ice upon compression up to 1.8 GPa at 77 K and for the temperature-induced (77 -190 K ) u-HDA (unrelaxed HDA) → e-HDA (expanded HDA) → low-density amorphous (LDA )→1 c cascade of ice transformations near room pressure. There are many similarities in the elasticity behaviour of H2O ,D2O , and H2O-D2O solid solutions, including the softening of the shear elastic modulus as a precursor of SSA and the HDA →LDA transition. We have found significant isotopic effects during H/D substitution, including elastic softening of H2O -D2O solid solutions with respect to the isotopically pure ices in the case of the bulk moduli of ices 1c and 1h and for both bulk and shear elastic moduli of HDA ice at high pressures (>1 GPa ) . This softening is related to the configurational isotopic disorder in the solid solutions. At low pressures, the isotope concentration dependence of the elastic moduli of u-HDA ice changes remarkably and becomes monotonic with pronounced change of the bulk modulus (≈20 %) .

Contribution to the study of the structure of silver krypton solid solutions; Contribution a l'etude de la structure des solutions solides argent-krypton

Energy Technology Data Exchange (ETDEWEB)

Levy, V; Tullairet, J; Delaplace, J; Antolin-Baudier, J; Adda, Y [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1964-07-01

The silver-krypton solid solutions formed by electrical discharge have been studied by X-rays, electrical resistivity and electronic transmission microscopy. The crystalline parameter and residual resistivity measurements have shown that the krypton atom behaves very differently to those of other elements of the periodic classification when dissolved in silver. The recovery of the crystalline parameter and of the electrical resistivity has been studied as a function of temperature. (authors) [French] Les solutions solides argent, krypton, realisees par decharges electrique ont ete etudiees par Rayons X, resistivite electrique et microscopie electronique en transmission. Les mesures de parametre cristallin et de resistivite residuelle ont montre que le comportement de l'atome de krypton est tres different de celui des autres elements de la classification periodique en solution dans l'argent. La restauration du parametre cristallin et de la resistivite electrique en fonction de la temperature a ete etudiee. (auteurs)

Crystal structure of the mixed-metal trisulfide BaCu1/3Ta2/3S3

Directory of Open Access Journals (Sweden)

Kejun Bu

2017-05-01

Full Text Available The mixed-metal title compound, BaCu1/3Ta2/3S3 [barium copper(II tantalum(V trisulfide], was prepared through solid-state reactions. The crystal structure adopts the BaTaS3 structure type and consists of face-sharing [MS6] (M = Ta,Cu octahedra (point-group symmetry -3m. that are condensed into infinite chains along [001]. Adjacent chains are linked through the barium cations (site symmetry -6m2, which exhibit a coordination number of twelve. The M site is occupied by 2/3 of TaV and 1/3 of CuII, whereby the average M—S distances are slightly longer than those of ordered BaTaS3. The classical charge balance of the title compound can be represented by [Ba2+] [(Ta/Cu4+] [S2−]3.

Influence of lead oxide addition on LnTiTaO 6 (Ln = Ce, Pr and Nd)

Indian Academy of Sciences (India)

The effect of PbO addition on the structural, processing and microwave dielectric properties of LnTiTaO6 (Ln = Ce, Pr and Nd) ceramics are reported. Conventional solid state ceramic route was used for the preparation of samples. Phase pure LnTiTaO6 (Ln = Ce, Pr and Nd) ceramics are prepared at a calcination ...

Computationally efficient and quantitatively accurate multiscale simulation of solid-solution strengthening by ab initio calculation

International Nuclear Information System (INIS)

Ma, Duancheng; Friák, Martin; Pezold, Johann von; Raabe, Dierk; Neugebauer, Jörg

2015-01-01

We propose an approach for the computationally efficient and quantitatively accurate prediction of solid-solution strengthening. It combines the 2-D Peierls–Nabarro model and a recently developed solid-solution strengthening model. Solid-solution strengthening is examined with Al–Mg and Al–Li as representative alloy systems, demonstrating a good agreement between theory and experiments within the temperature range in which the dislocation motion is overdamped. Through a parametric study, two guideline maps of the misfit parameters against (i) the critical resolved shear stress, τ 0 , at 0 K and (ii) the energy barrier, ΔE b , against dislocation motion in a solid solution with randomly distributed solute atoms are created. With these two guideline maps, τ 0 at finite temperatures is predicted for other Al binary systems, and compared with available experiments, achieving good agreement

TaEDS1 genes positively regulate resistance to powdery mildew in wheat.

Science.gov (United States)

Chen, Guiping; Wei, Bo; Li, Guoliang; Gong, Caiyan; Fan, Renchun; Zhang, Xiangqi

2018-04-01

Three EDS1 genes were cloned from common wheat and were demonstrated to positively regulate resistance to powdery mildew in wheat. The EDS1 proteins play important roles in plant basal resistance and TIR-NB-LRR protein-triggered resistance in dicots. Until now, there have been very few studies on EDS1 in monocots, and none in wheat. Here, we report on three common wheat orthologous genes of EDS1 family (TaEDS1-5A, 5B and 5D) and their function in powdery mildew resistance. Comparisons of these genes with their orthologs in diploid ancestors revealed that EDS1 is a conserved gene family in Triticeae. The cDNA sequence similarity among the three TaEDS1 genes was greater than 96.5%, and they shared sequence similarities of more than 99.6% with the respective orthologs from diploid ancestors. The phylogenetic analysis revealed that the EDS1 family originated prior to the differentiation of monocots and dicots, and EDS1 members have since undergone clear structural differentiation. The transcriptional levels of TaEDS1 genes in the leaves were obviously higher than those of the other organs, and they were induced by Blumeria graminis f. sp. tritici (Bgt) infection and salicylic acid (SA) treatment. The BSMV-VIGS experiments indicated that knock-down the transcriptional levels of the TaEDS1 genes in a powdery mildew-resistant variety of common wheat compromised resistance. Contrarily, transient overexpression of TaEDS1 genes in a susceptible common wheat variety significantly reduced the haustorium index and attenuated the growth of Bgt. Furthermore, the expression of TaEDS1 genes in the Arabidopsis mutant eds1-1 complemented its susceptible phenotype to powdery mildew. The above evidences strongly suggest that TaEDS1 acts as a positive regulator and confers resistance against powdery mildew in common wheat.

Methylene blue degradation by NaTaO3 sol-gel doped with Sm and La

International Nuclear Information System (INIS)

Torres-Martinez, Leticia M.; Cruz-Lopez, Arquimedes; Juarez-Ramirez, Isaias; Meza-de la Rosa, Ma. Elena

2009-01-01

In this work, NaTaO 3 compounds doped with 1 M% of La and Sm, were prepared by the sol-gel (SG) method and solid state (SS) reaction; and tested as photocatalysts on the degradation of methylene blue (MB) under UV light. The structural characterization by X-ray powder diffraction revealed that the crystallization of the NaTaO 3 phase prepared by the sol-gel method started at 600 deg. C, reaching maximum crystallization at 800 deg. C. It was determined that the presence of Sm and La retard the crystallization of the NaTaO 3 phase. On the other hand, the compounds synthesized in this work showed particle sizes in the nanometric scale, as it was observed by scanning electron microscopy (SEM). The specific surface area of the compounds synthesized by the sol-gel method, showed values 4 times higher than those obtained by the solid state reaction, favoring their functional and photocatalytic performance in the methylene blue degradation. In addition, the best photocatalytic performance was shown by the NaTaO 3 doped with Sm and heated at 600 deg. C, having a half-life time of 65 min.

The growth and tensile deformation behavior of the silver solid solution phase with zinc

International Nuclear Information System (INIS)

Wu, Jiaqi; Lee, Chin C.

2016-01-01

The growth of homogeneous silver solid solution phase with zinc are conducted at two different compositions. X-ray diffraction (XRD) and Scanning electron microscope/Energy dispersive X-ray spectroscopy (SEM/EDX) are carried out for phase identification and chemical composition verification. The mechanical properties of silver solid solution phase with zinc are evaluated by tensile test. The engineering and true stress vs. strain curves are presented and analyzed, with those of pure silver in comparison. According to the experimental results, silver solid solution phase with zinc at both compositions show tempered yield strength, high tensile strength and large uniform strain compared to those of pure silver. Fractography further confirmed the superior ductility of silver solid solution phase with zinc at both compositions. Our preliminary but encouraging results may pave the way for the silver based alloys to be applied in industries such as electronic packaging and structure engineering.

Synthesis, characterization and thermal expansion studies on ThO2-SmO1.5 solid solutions

International Nuclear Information System (INIS)

Panneerselvam, G.; Antony, M.P.

2008-01-01

Full text: A highly homogeneous Th 1-x Sm x O 2 ; 0 ≤ x ≤ 0.8 solid solutions were synthesized by co-precipitation technique and the co-precipitated samples were sintered at 1473 K. Compositions of the solid solutions were characterized by standard wet-chemical analysis. X-ray diffraction measurements were performed in the sintered pellets for structural analysis, lattice parameter calculation and determination of solid solubility of SmO 1.5 in ThO 2 matrix. Bulk and theoretical densities of solid solutions were also determined. A fluorite structure was observed for ThO 2 -SmO 1.5 solid solutions with 0-55.2 mol % SmO 1.5 . Their thermal expansion coefficients were measured using high temperature X-ray diffraction technique. The mean linear thermal expansivity, αm for ThO 2 -SmO 1.5 solid solutions containing 17.9, 41.7 and 52.0 mole percent of SmO 1.5 were determined in the temperature range 298 to 2000 K for the first time. The mean linear thermal expansion coefficients for ThO 2 -SmO 1.5 solid solutions are 10.47x10 -6 K -1 , 11.16x10 -6 K -1 and 11.45x10 -6 K -1 , respectively. The percentage linear thermal expansion in this temperature range, for ThO 2 -SmO 1.5 solid solutions containing 17.9, 41.7 and 52.0 mol % SmO 1.5 are 1.82,1.94 and 1.99 respectively. It is suggested that the solid solutions are stable up to 2000 K. It is also suggested that the effect and nature of the dopant are the important parameters influenced in the thermal expansion of the ThO 2

Microstructures and Surface Stabilities of {Ni-0.4C-6Ta- xCr, 0 ≤ x ≤ 50 Wt Pct} Cast Alloys at High Temperature

Science.gov (United States)

Berthod, Patrice

2018-06-01

Nickel-based cast alloys rich in chromium and reinforced by TaC carbides are potentially very interesting alloys for applications at elevated temperatures. Unfortunately, unlike cobalt-chromium and iron-chromium alloys, it is difficult to obtain exclusively TaC as primary carbides in Ni-Cr alloys. In alloys containing 30 wt pct Cr tantalum, carbides coexist with chromium carbides. The latter tend to weaken the alloy at elevated temperatures because they become rapidly spherical and then quickly lose their reinforcing effect. In this work, we attempted to stabilize TaC as a single carbide phase by testing different chromium contents in the [0, 50 wt pct] range. Six alloys containing 0.4C and 6Ta, weight contents corresponding to equivalent molar contents, were elaborated by foundry, and their as-cast microstructures were characterized. Samples of all alloys were exposed to 1127 °C and 1237 °C for 24 hours to characterize their stabilized microstructures. The surface fractions of chromium carbides and tantalum carbides were measured by image analysis, and their evolutions vs the chromium content were studied. For the chosen C and Ta contents, it appears that obtaining TaC only is possible by decreasing the chromium content to 10 wt pct. At the same time, TaC fractions are unfortunately too low because a large portion of tantalum integrates into the solid solution in the matrix. A second consequence is a critical decrease in oxidation resistance. Other possible methods to stabilize TaC as a single carbide are evocated, such as the simultaneous increase in Ta and decrease in chromium from 30 wt pct Cr.

Method of quantitative x-ray diffractometric analysis of Ta-Ta2C system

International Nuclear Information System (INIS)

Gavrish, A.A.; Glazunov, M.P.; Korolev, Yu.M.; Spitsyn, V.I.; Fedoseev, G.K.

1976-01-01

The syste86 Ta-Ta 2 C has beemonsidered because of specific features of diffraction patterns of the components, namely, overlapping of the most intensive reflexes of both phases. The method of standard binary system has been used for quantitative analysis. Because of overlapping of the intensive reflexes dsub(1/01)=2.36(Ta 2 C) and dsub(110)=2.33(Ta), the other, most intensive, reflexes have been used for quantitative determination of Ta 2 C and Ta: dsub(103)=1.404 A for tantalum subcarbide and dsub(211)=1.35A for tantalum. Besides, the TaTa 2 C phases have been determined quantitatively with the use of another pair of reflexes: dsub(102)=1.82 A for Ta 2 C and dsub(200)=1.65 A for tantalum. The agreement between the results obtained while performing the quantitative phase analysis is good. To increase reliability and accuracy of the quantitative determination of Ta and Ta 2 C, it is expedient to carry out the analysis with the use of two above-mentioned pairs of reflexes located in different regions of the diffraction spectrum. Thus, the procedure of quantitative analysis of Ta and Ta 2 C in different ratios has been developed taking into account the specific features of the diffraction patterns of these components as well as the ability of Ta 2 C to texture in the process of preparation

Synthesis and characterization of type solid solution in the binary ...

Indian Academy of Sciences (India)

We have investigated Bi2O3–Eu2O3 binary system by doping with Eu2O3 in the composition range from 1 to 10 mole% via solid state reactions and succeeded to stabilize -Bi2O3 ... Our experimental observations strongly suggested that oxygen deficiency type non-stoichiometry is present in doped type solid solutions.

The LiBH₄-LiI Solid Solution as an Electrolyte in an All-Solid-State Battery

DEFF Research Database (Denmark)

Sveinbjörnsson, Dadi Þorsteinn; Christiansen, Ane Sælland; Viskinde, Rasmus

2014-01-01

The charge and discharge performance of an all-solid-state lithium battery with the LiBH4-LiI solid solution as an electrolyte is reported. Lithium titanate (Li4Ti5O12) was used as the positive electrode and lithium metal as the negative electrode. The performance of the all-solid-state cell...

Theromdynamics of carbon in nickel-based multicomponent solid solutions

International Nuclear Information System (INIS)

Bradley, D.J.

1978-04-01

The activity coefficient of carbon in nickel, nickel-titanium, nickel-titanium-chromium, nickel-titanium-molybdenum and nickel-titanium-molybdenum-chromium alloys has been measured at 900, 1100 and 1215 0 C. The results indicate that carbon obeys Henry's Law over the range studied (0 to 2 at. percent). The literature for the nickel-carbon and iron-carbon systems are reviewed and corrected. For the activity of carbon in iron as a function of composition, a new relationship based on re-evaluation of the thermodynamics of the CO/CO 2 equilibrium is proposed. Calculations using this relationship reproduce the data to within 2.5 percent, but the accuracy of the calibrating standards used by many investigators to analyze for carbon is at best 5 percent. This explains the lack of agreement between the many precise sets of data. The values of the activity coefficient of carbon in the various solid solutions are used to calculate a set of parameters for the Kohler-Kaufman equation. The calculations indicate that binary interaction energies are not sufficient to describe the thermodynamics of carbon in some of the nickel-based solid solutions. The results of previous workers for carbon in nickel-iron alloys are completely described by inclusion of ternary terms in the Kohler-Kaufman equation. Most of the carbon solid solution at high temperatures in nickel and nickel-titantium alloys precipitates from solution on quenching in water. The precipitate is composed of very small particles (greater than 2.5 nm) of elemental carbon. The results of some preliminary thermomigration experiments are discussed and recommendations for further work are presented

Nanometric solid solutions of the fluorite and perovskite type crystal structures: Synthesis and properties

Directory of Open Access Journals (Sweden)

Snežana Bošković

2012-09-01

Full Text Available In this paper a short review of our results on the synthesis of nanosized CeO2, CaMnO3 and BaCeO3 solid solutions are presented. The nanopowders were prepared by two innovative methods: self propagating room temperature synthesis (SPRT and modified glycine/nitrate procedure (MGNP. Different types of solid solutions with rare earth dopants in concentrations ranging from 0–0.25 mol% were synthesized. The reactions forming solid solutions were studied. In addition, the characteristics of prepared nanopowders, phenomena during sintering and the properties of sintered samples are discussed.

Adsorption of tannic acid from aqueous solution onto surfactant-modified zeolite

Energy Technology Data Exchange (ETDEWEB)

Lin, Jianwei, E-mail: jwlin@shou.edu.cn [College of Marine Science, Shanghai Ocean University, No. 999 Hucheng Huan Road, Pudong District, Shanghai 201306 (China); Zhan, Yanhui; Zhu, Zhiliang [State Key Laboratory of Pollution Control and Resource Reuse, Tongji University, Shanghai 200092 (China); Xing, Yunqing [College of Marine Science, Shanghai Ocean University, No. 999 Hucheng Huan Road, Pudong District, Shanghai 201306 (China)

2011-10-15

Graphical abstract: Surfactant-modified zeolites (SMZs) with various loadings of cetylpyridinium bromide (CPB) were used as adsorbents to remove tannic acid (TA) from aqueous solution. Highlights: {yields} Surfactant modified zeolites (SMZs) have a good tannic acid (TA) adsorption capacity. {yields} Adsorption capacity for SMZ with bilayer was relatively high at solution pH 3.5-7.0. {yields} Adsorption was well described by pseudo-second-order kinetic model. {yields} Adsorption fitted well with Langmuir, Redlich-Peterson and Sips isotherm models. {yields} Coexisting Cu(II) in aqueous solution resulted in markedly enhanced TA adsorption. - Abstract: Surfactant-modified zeolites (SMZs) with various loadings of cetylpyridinium bromide (CPB) were used as adsorbents to remove tannic acid (TA) from aqueous solution. The TA adsorption efficiencies for natural zeolite and various SMZs were compared. SMZ presented higher TA adsorption efficiency than natural zeolite, and SMZ with higher loading amount of CPB exhibited higher TA adsorption efficiency. The adsorption of TA onto SMZ as a function of contact time, initial adsorbate concentration, temperature, ionic strength, coexisting Cu(II) and solution pH was investigated. The adsorbents before and after adsorption were characterized by X-ray diffraction (XRD), field emission scanning electron microscope (FE-SEM), thermogravimetric analysis (TGA), and Fourier transform infrared (FT-IR) spectroscopy. The adsorption kinetics of TA onto SMZ with CPB bilayer coverage (SMZ-CBC) followed a pseudo-second-order model. The equilibrium adsorption data of TA onto SMZ-CBC were well represented by Langmuir, Redlich-Peterson and Sips isotherm models. The calculated thermodynamic parameters indicated that TA adsorption onto SMZ-CBC was spontaneous and exothermic. The TA adsorption capacity for SMZ-CBC slightly decreased with increasing ionic strength but significantly increased with increasing Cu(II) concentration. The TA adsorption

Thermal conductivities of (ZrxPu(1-x)/2Am(1-x)/2)N solid solutions

International Nuclear Information System (INIS)

Nishi, Tsuyoshi; Takano, Masahide; Akabori, Mitsuo; Arai, Yasuo

2011-01-01

The thermal conductivity of Zr-based transuranium (TRU) nitride solid solutions is important for designing subcritical cores in nitride-fueled ADS. Some results have been reported concerning the thermal conductivities of (Zr,Pu)N. However, there have been no experimental data on the thermal conductivities of Zr-based nitride solid solutions containing MA. In this study, the authors prepared sintered samples of (Zr x Pu (1-x)/2 Am (1-x)/2) N (x=0.0, 0.58, 0.80) solid solutions. The thermal diffusivity and heat capacity of (Zr x Pu (1-x)/2 Am (1-x)/2) N solid solutions were measured using a laser flash method and drop calorimetry, respectively. Thermal conductivities were determined from the measured thermal diffusivities, heat capacities and bulk densities over a temperature range of 473 to 1473 K. The thermal conductivities of (Zr 0.58 Pu 0.21 Am 0.21 )N and (Zr 0.80 Pu 0.10 Am 0.10 )N solid solutions were found to be higher than that of (Pu 0.5 Am 0.5 )N due to the high thermal conductivity of ZrN as the principal component, although they were lower than that of ZrN due to the impurifying effect of the transuranium elements. Thus, the thermal conductivities of (Zr x Pu (1-x)/2 Am (1-x)/2) N solid solutions increased with increasing ZrN concentration. Moreover, in order to help to promote the design study of nitride-fueled ADS, the thermal conductivity of the (Zr x Pu (1-x)/2 Am (1-x)/2) N solid solutions were fitted to an equation using the least squares method. (author)

Long-term behavior of refractory thorium-plutonium dioxide solid solutions

Energy Technology Data Exchange (ETDEWEB)

Claparede, Laurent, E-mail: laurent.claparede@umontpellier.fr [ICSM, UMR 5257 CNRS/CEA/Univ. Montpellier/ENSCM, Site de Marcoule, Bât. 426, BP 17171, 30207 Bagnols/Cèze (France); Guigue, Mireille [CEA, Nuclear Energy Division, RadioChemistry & Processes Department, BP 17171, 30207 Bagnols/Cèze (France); Jouan, Gauthier [CEA, Nuclear Energy Division, DTEC Department, BP 17171, 30207 Bagnols/Cèze (France); Nadah, Nassima [CEA, Nuclear Energy Division, RadioChemistry & Processes Department, BP 17171, 30207 Bagnols/Cèze (France); Dacheux, Nicolas [ICSM, UMR 5257 CNRS/CEA/Univ. Montpellier/ENSCM, Site de Marcoule, Bât. 426, BP 17171, 30207 Bagnols/Cèze (France); Moisy, Philippe [CEA, Nuclear Energy Division, RadioChemistry & Processes Department, BP 17171, 30207 Bagnols/Cèze (France)

2017-01-15

The long-term behavior of Th{sub 0.87}Pu{sub 0.13}O{sub 2} was examined in nitric acid concentrations. The normalized dissolution rates after 3380 days, range from (1.4 ± 0.2) × 10{sup −6} g m{sup −2} d{sup −1} in 5 M HNO{sub 3} down to (3.2 ± 0.4) × 10{sup −8} g m{sup −2} d{sup −1} in 10{sup −3} M HNO{sub 3}, which confirms the high chemical durability of this solid solution. The amounts of plutonium measured in solution lead to 0.9% and 2.1% of dissolved solid in 1 M and 5 M HNO{sub 3}, respectively. In such conditions, the time required to reach the full dissolution of the material varies from 430 years (5 M HNO{sub 3}) to 18,000 years (10{sup −3} M HNO{sub 3}). Moreover, the partial order related to the proton activity (n = 0.45 ± 0.03) suggests that the dissolution is mainly driven by surface reactions occurring at the solid/liquid interface. The characterization of the leached samples by SEM shows small microstructural modifications (i.e. detachment of crystallites) and the absence of neoformed phase while from PXRD, the unit cell parameter and crystallite size are not significantly affected. - Highlights: • Leaching tests of Th{sub 0.87}Pu{sub 0.13}O{sub 2} were performed for 9 years in several nitric acid solutions. • The high chemical durability of thorium-plutonium oxide solid solutions was confirmed. • The solubility of plutonium(IV) was not controlled by the precipitation of plutonium tetrahydroxide in these experiments.

Synthesis and characterization of solid solutions in ABCO 4 system

Science.gov (United States)

Novoselov, A.; Zimina, G.; Komissarova, L.; Pajaczkowska, A.

2006-01-01

Formation of continuous solid solutions with a tetragonal structure of K 2NiF 4-type was investigated by direct solid-state synthesis, carbonate precipitations, the freeze-drying method and the Czochralski crystal growth technique. In the systems of SrLaAlO 4-CaLaAlO 4, SrNdAlO 4-CaNdAlO 4, SrPrAlO 4-CaPrAlO 4, SrLaAlO 4-SrLaGaO 4 and SrLaAlO 4-SrLaFeO 4 solid solutions are formed in the whole concentration range (0.0⩽ x⩽1.0) and in the systems of SrLaAlO 4-SrLaMnO 4 and SrLaAlO 4-SrLaCrO 4 in the limited compositional interval of (0.0⩽ x⩽0.20) and (0.0⩽ x⩽0.25), respectively, with composition dependency of lattice constants following Vegard's law.

The complex synthesis and solid state chemistry of ceria-lanthana solid solutions prepared via a hexamethylenetetramine precipitation

International Nuclear Information System (INIS)

Fleming, P.G.; Holmes, J.D.; Otway, D.J.; Morris, M.A.

2011-01-01

Mixed oxide solid solutions are becoming ever more commercially important across a range of applications. However, their synthesis can be problematical. Here, we show that ceria-lanthana solid solutions can be readily prepared via simple precipitation using hexamethylenetetramine. However, the solution chemistry can be complex, which results in the precipitated particles having a complex structure and morphology. Great care must be taken in both the synthesis and characterisation to quantify the complexity of the product. Even very high heat treatments were not able to produce highly homogeneous materials and X-ray diffractions reveals the non-equilibrium form of particles prepared in this way. Unexpected crystal structures are revealed including a new metastable cubic La 2 O 3 phase. - Graphical abstract: The suggested mechanism for the formation of dual fluorite phase particles, where Step 1 corresponds to room temperature aging, Step 2; heating the solution to 90 deg. C, Step 3; cooling of the solution to room temperature, Step 4; calcination to 500 deg. C, Step 5; calcination to 700 deg. C and Step 6; calcination to 1300 deg. C. The terminology of e.g. La 1-x Ce x (OH) 3 is used to indicate the formation of a mixed oxy-hydroxy participate rather than a definitive assignment of stoichiometry. Similarly, La 1-y Ce y O 2 only implies a mixed solid solution. Highlights: → Mol% of prepared Ce-La oxides did not follow that of reactant mol%. → Complex reaction pathway found to be dependent on metal solution concentrations. → At certain concentrations core shell particles were found to form. → A reaction model was produced based on cationic solubility. → Report lanthana solubility higher than previously reported in CeO 2 .

Direct and indirect effects of radiation on polar solid solutions

International Nuclear Information System (INIS)

Ershov, V.G.; Gaponova, I.S.

1982-01-01

Radiation-chemical decomposition of a solute is due to the direct effect of ionizing radiation on it and also to its reaction with radical-ion products of radiolysis of the solution. At low temperature, the movement of the reagents is limited, and thus it is possible to isolate and evaluate the contribution of direct and indirect effects of radiation on the solute. The present paper is devoted to an investigation of the mechanism of formation of radicals from a solute (LiNO 2 ) in a polar solid solution (CH 3 OH) under the effect of γ-radiation

Characterization of solid-solution interface by potentiometric titration and electrophoretic mobility

International Nuclear Information System (INIS)

Lindecker, C.; Drot, R.; Fourest, B.; Simoni, E.

1999-01-01

The study of nuclear waste storage in deep geological sites involves the understanding of processes which could produce a possible dispersion or retention of radioelements. The dispersion of solid particles in aqueous solution is consequently important to be characterized. In this bi-phased system it is necessary to determine the characteristics of the solid-solution interface. The method used of this study is the techniques of potentiometric titration applied to heterogeneous systems. The material studied were phosphate matrices which were synthesized in the laboratory. The dependence of their surface change upon the nature of the electrolytes was investigated

Electrodeposited ultrafine TaOx/CB catalysts for PEFC cathode application: Their oxygen reduction reaction kinetics

KAUST Repository

Seo, Jeongsuk

2014-12-01

Ultrafine TaOx nanoparticles were electrodeposited on carbon black (CB) powder in a nonaqueous Ta complex solution at room temperature, and the resultant TaOx/CB catalysts were assessed as oxygen reduction reaction (ORR) electrocatalysts for polymer electrolyte fuel cell (PEFC) cathodes. The Ta electrodeposition process was scaled up using a newly designed working electrode containing a CB dense layer, without introducing any binder such as the ionomer Nafion in the electrode for electrodeposition. The electrodeposited TaOx/CB powders were removed from the deposition electrode and subsequent H2 treatment at varying temperatures between 523 and 1073 K was attempted to increase the ORR performance. The TaOx/CB samples were characterized by SEM, STEM, XPS, and EELS measurements. XPS and EELS results indicated the reduced nature of the Ta species caused by the high-temperature treatment in H2, while STEM images clearly revealed that the TaOx particles aggregated as the treatment temperature increased. When the TaOx/CB catalyst, which was treated at 873 K for 2 h, was deposited on a glassy carbon substrate with Nafion ionomer, it resulted in the highest activity among the samples investigated, giving an onset potential of 0.95 VRHE at -2 μA cm-2 in a 0.1 M H2SO4 solution. Moreover, the long-term stability test with 10,000 cycles of the voltammetry only led to a 6% loss in the ORR currents, demonstrating the high stability of the TaOx/CB catalysts. Kinetic analysis by R(R)DE indicated that the four-electron transfer pathway in the ORR process was dominant for this TaOx/CB catalyst, and Tafel plots showed a slope corresponding to a one-electron reaction for the rate-determining step.

Electrodeposited ultrafine TaOx/CB catalysts for PEFC cathode application: Their oxygen reduction reaction kinetics

KAUST Repository

Seo, Jeongsuk; Anjum, Dalaver H.; Takanabe, Kazuhiro; Kubota, Jun; Domen, Kazunari

2014-01-01

Ultrafine TaOx nanoparticles were electrodeposited on carbon black (CB) powder in a nonaqueous Ta complex solution at room temperature, and the resultant TaOx/CB catalysts were assessed as oxygen reduction reaction (ORR) electrocatalysts for polymer electrolyte fuel cell (PEFC) cathodes. The Ta electrodeposition process was scaled up using a newly designed working electrode containing a CB dense layer, without introducing any binder such as the ionomer Nafion in the electrode for electrodeposition. The electrodeposited TaOx/CB powders were removed from the deposition electrode and subsequent H2 treatment at varying temperatures between 523 and 1073 K was attempted to increase the ORR performance. The TaOx/CB samples were characterized by SEM, STEM, XPS, and EELS measurements. XPS and EELS results indicated the reduced nature of the Ta species caused by the high-temperature treatment in H2, while STEM images clearly revealed that the TaOx particles aggregated as the treatment temperature increased. When the TaOx/CB catalyst, which was treated at 873 K for 2 h, was deposited on a glassy carbon substrate with Nafion ionomer, it resulted in the highest activity among the samples investigated, giving an onset potential of 0.95 VRHE at -2 μA cm-2 in a 0.1 M H2SO4 solution. Moreover, the long-term stability test with 10,000 cycles of the voltammetry only led to a 6% loss in the ORR currents, demonstrating the high stability of the TaOx/CB catalysts. Kinetic analysis by R(R)DE indicated that the four-electron transfer pathway in the ORR process was dominant for this TaOx/CB catalyst, and Tafel plots showed a slope corresponding to a one-electron reaction for the rate-determining step.

Atomistic study of ternary oxides as high-temperature solid lubricants

Science.gov (United States)

Gao, Hongyu

Friction and wear are important tribological phenomena tightly associated with the performance of tribological components/systems such as bearings and cutting machines. In the process of contact and sliding, friction and wear lead to energy loss, and high friction and wear typically result in shortened service lifetime. To reduce friction and wear, solid lubricants are generally used under conditions where traditional liquid lubricants cannot be applied. However, it is challenging to maintain the functionality of those materials when the working environment becomes severe. For instance, at elevated temperatures (i.e., above 400 °C), most traditional solid lubricants, such as MoS2 and graphite, will easily oxidize or lose lubricity due to irreversible chemical changes. For such conditions, it is necessary to identify materials that can remain thermally stable as well as lubricious over a wide range of temperatures. Among the currently available high-temperature solid lubricants, Ag-based ternary metal oxides have recently drawn attention due to their low friction and ability to resist oxidation. A recent experimental study showed that the Ag-Ta-O ternary exhibited an extremely low coefficient of friction (0.06) at 750 °C. To fully uncover the lubricious nature of this material as a high-temperature solid lubricant, a series of tribological investigations were carried out based on one promising candidate - silver tantalate (AgTaO3). The study was then extended to alternative materials, Cu-Ta-O ternaries, to accommodate a variety of application requirements. We aimed to understand, at an atomic level, the effects of physical and chemical properties on the thermal, mechanical and tribological behavior of these materials at high temperatures. Furthermore, we investigated potassium chloride films on a clean iron surface as a representative boundary lubricating system in a nonextreme environment. This investigation complemented the study of Ag/Cu-Ta-O and enhanced the

Hydrothermal synthesis of pollucite, analcime and their solid solutions and analysis of their properties

Energy Technology Data Exchange (ETDEWEB)

Jing, Zhenzi, E-mail: zzjing@tongji.edu.cn [Key Laboratory of Advanced Civil Engineering Materials, Ministry of Education, Tongji University, 4800 Cao' an Road, Shanghai 201804 (China); Cai, Kunchuan; Li, Yan; Fan, Junjie; Zhang, Yi; Miao, Jiajun; Chen, Yuqian [Key Laboratory of Advanced Civil Engineering Materials, Ministry of Education, Tongji University, 4800 Cao' an Road, Shanghai 201804 (China); Jin, Fangming [School of Environmental Science and Engineering, Shanghai Jiao Tong University, 800 Dongchuan Road, Shanghai 200240 (China)

2017-05-15

Pollucite, as a perfect long-term potential host for radioactive Cs immobilization, barely exists in pure form naturally but in an isomorphism form between pollucite and analcime due to coexistence of Cs and Na. Pollucite could be hydrothermally synthesized with Cs-polluted soil or clay minerals which contain Cs and Na, and it is necessary to study the properties of the synthesis if Cs and Na contained. Pure pollucite, analcime and their solid solutions were hydrothermally synthesized with chemicals, and it was found that the most formed pollucite analcime solid solutions with Cs/(Cs + Na) ratios of 2/6–5/6 had very similar properties in mineral composition, morphology and size, structural water (Cs cations) and coordination environment to pollucite. This also suggests that even coexistence of Cs and Na in nature, pollucite favors to form due to site preference for Cs over Na, which leads to the property and the structure of the most solid solutions similar to that of pollucite. - Highlights: •Pure pollucite barely exists in nature due to coexistence of Cs and Na. •Pollucite, analcime and their solid solutions could be hydrothermally synthesized. •Most formed solid solutions were found to have similar properties to pollucite. •Even coexistence in nature, pollucite favors to form due to site preference for Cs over Na.

Light refractive index in indium phosphide and InP-containing solid solutions

International Nuclear Information System (INIS)

Yas'kov, A.D.

1983-01-01

Spectral and temperatUre dependences of the InP and Gasub(x)Insub(1-x)P refractive indexes in the range of 0.98-1.3 μm are measured. The obtained in this case and published earlier experimental data on refractive index dispersion of the InP and solid solutions with its participation are generalized within the framework of a simple model approach based on a consecutiVe account of measured parameters of zone structure with the solid solution composition

First-principles investigation of optoelectronic and redox properties of (Ta1-xNbx)ON compounds for photocatalysis

KAUST Repository

Harb, Moussab

2015-01-01

We investigate essential fundamental properties of monoclinic (Ta1-xNbx)ON (x = 0.0625, 0.125, 0.25, and 0.5) solid solution semiconductor materials for water splitting using first-principles computations on the basis of density functional theory (DFT) and density functional perturbation theory (DFPT) using the PBE and HSE06 functionals. The formation energies, band gaps, UV-vis optical absorption coefficients, dielectric constants, charge carrier effective masses, and band edge energy positions of these compounds are evaluated. Similarly to TaON, our calculations reveal strongly 3D delocalized characters of the band edge electronic states through the crystal lattices, high dielectric constants, small hole effective masses along the [001] direction, and small electron effective masses along the [100] direction. This leads to good exciton dissociation ability into free charge carriers, good hole mobility along the [001] direction, and good electron mobility along the [100] direction. The main difference, however, is related to their band edge positions with respect to water redox potentials. TaON with a calculated band gap energy of 3.0 eV is predicted as a good candidate for water oxidation and O2 evolution while the (Ta1-xNbx)ON materials (for 0.25 ≤ x ≤ 0.5) with calculated band gap energies between 2.8 and 2.9 eV reveal suitable band edge positions for water oxidation and H+ reduction. These results offer a grand opportunity for these compounds to be properly synthesized and tested for solar-driven overall water-splitting reactions.

First-principles investigation of optoelectronic and redox properties of (Ta1-xNbx)ON compounds for photocatalysis

KAUST Repository

Harb, Moussab

2015-03-05

We investigate essential fundamental properties of monoclinic (Ta1-xNbx)ON (x = 0.0625, 0.125, 0.25, and 0.5) solid solution semiconductor materials for water splitting using first-principles computations on the basis of density functional theory (DFT) and density functional perturbation theory (DFPT) using the PBE and HSE06 functionals. The formation energies, band gaps, UV-vis optical absorption coefficients, dielectric constants, charge carrier effective masses, and band edge energy positions of these compounds are evaluated. Similarly to TaON, our calculations reveal strongly 3D delocalized characters of the band edge electronic states through the crystal lattices, high dielectric constants, small hole effective masses along the [001] direction, and small electron effective masses along the [100] direction. This leads to good exciton dissociation ability into free charge carriers, good hole mobility along the [001] direction, and good electron mobility along the [100] direction. The main difference, however, is related to their band edge positions with respect to water redox potentials. TaON with a calculated band gap energy of 3.0 eV is predicted as a good candidate for water oxidation and O2 evolution while the (Ta1-xNbx)ON materials (for 0.25 ≤ x ≤ 0.5) with calculated band gap energies between 2.8 and 2.9 eV reveal suitable band edge positions for water oxidation and H+ reduction. These results offer a grand opportunity for these compounds to be properly synthesized and tested for solar-driven overall water-splitting reactions.

The Effects of Al and Ti Additions on the Structural Stability, Mechanical and Electronic Properties of D8m-Structured Ta5Si3

Directory of Open Access Journals (Sweden)

Linlin Liu

2016-05-01

Full Text Available In the present study, the influence of substitutional elements (Ti and Al on the structural stability, mechanical properties, electronic properties and Debye temperature of Ta5Si3 with a D8m structure were investigated by first principle calculations. The Ta5Si3 alloyed with Ti and Al shows negative values of formation enthalpies, indicating that these compounds are energetically stable. Based on the values of formation enthalpies, Ti exhibits a preferential occupying the Ta4b site and Al has a strong site preference for the Si8h site. From the values of the bulk modulus (B, shear modulus (G and Young’s modulus (E, we determined that both Ti and Al additions decrease both the shear deformation resistance and the elastic stiffness of D8m structured Ta5Si3. Using the shear modulus/bulk modulus ratio (G/B, Poisson’s ratio (υ and Cauchy’s pressure, the effect of Ti and Al additions on the ductility of D8m-structured Ta5Si3 are explored. The results show that Ti and Al additions reduce the hardness, resulting in solid solution softening, but improve the ductility of D8m-structured Ta5Si3. The electronic calculations reveal that Ti and Al additions change hybridization between Ta-Si and Si-Si atoms for the binary D8m-structured Ta5Si3. The new Ta-Al bond is weaker than the Ta-Si covalent bonds, reducing the covalent property of bonding in D8m-structured Ta5Si3, while the new strong Ti4b-Ti4b anti-bonding enhances the metallic behavior of the binary D8m-structured Ta5Si3. The change in the nature of bonding can well explain the improved ductility of D8m-structured Ta5Si3 doped by Ti and Al. Moreover, the Debye temperatures, ΘD, of D8m-structured Ta5Si3 alloying with Ti and Al are decreased as compared to the binary Ta5Si3.

Effect of Ta content on martensitic transformation behavior of RuTa ultrahigh temperature shape memory alloys

International Nuclear Information System (INIS)

He Zhirong; Zhou Jingen; Furuya, Y.

2003-01-01

Effects of Ta content on martensitic transformation (MT) behavior of Ru 100-x Ta x (x=46-54 at.%) alloys have been investigated by differential scanning calorimetry, dilatometry, X-ray diffraction and optical microscopy. Ta content significantly affects the MT behavior of RuTa alloys. The one-stage reservible MT occurs in Ta-poor RuTa alloys with Ta content less than 49 at.%. The two-stage reservible MT takes place in near-equiatomic RuTa alloys. No reservible MT is observed in Ta-rich alloys with Ta content more then 52 at.% Ta. The MT temperatures and hysteresis of RuTa alloys decrease with increasing Ta content. The aged and thermal cycled processes are nearly no effect on the MT behavior of these alloys. The deforming way of RuTa alloys is twinning. The Ru 50 Ta 50 alloy is of the most excellent MT behavior among these RuTa alloys

Powder Metallurgy Processing of a WxTaTiVCr High-Entropy Alloy and Its Derivative Alloys for Fusion Material Applications.

Science.gov (United States)

Waseem, Owais Ahmed; Ryu, Ho Jin

2017-05-16

The W x TaTiVCr high-entropy alloy with 32at.% of tungsten (W) and its derivative alloys with 42 to 90at.% of W with in-situ TiC were prepared via the mixing of elemental W, Ta, Ti, V and Cr powders followed by spark plasma sintering for the development of reduced-activation alloys for fusion plasma-facing materials. Characterization of the sintered samples revealed a BCC lattice and a multi-phase structure. The selected-area diffraction patterns confirmed the formation of TiC in the high-entropy alloy and its derivative alloys. It revealed the development of C15 (cubic) Laves phases as well in alloys with 71 to 90at.% W. A mechanical examination of the samples revealed a more than twofold improvement in the hardness and strength due to solid-solution strengthening and dispersion strengthening. This study explored the potential of powder metallurgy processing for the fabrication of a high-entropy alloy and other derived compositions with enhanced hardness and strength.

Precipitation in solid solution and structural transformations in single crystals of high rhenium ruthenium-containing nickel superalloys at high-temperature creep

Energy Technology Data Exchange (ETDEWEB)

Alekseev, A.A.; Petrushin, N.V.; Zaitsev, D.V.; Treninkov, I.A.; Filonova, E.V. [All-Russian Scientific Research Institute of Aviation Materials (VIAM), Moscow (Russian Federation)

2010-07-01

The phase composition and structure of single crystals of two superalloys (alloy 1 and alloy 2) were investigated in this work. For alloy 1 (Re - 9 wt%) the kinetics of precipitation in solid solution at heat treatment (HT) was investigated. TEM and X-Ray examinations have revealed that during HT rhombic phase (R-phase) precipitation (Immm class (BCR)) occurs. The TTT diagram is plotted, it contains the time-temperature area of the existence of R-phase particles. The element content of R-phase is identified (at. %): Re- 51.5; Co- 23.5; Cr- 14.8; Mo- 4.2; W- 3.3; Ta- 2.7. For alloy 2 (Re - 6.5 wt %, Ru - 4 wt %) structural transformations at high-temperature creep are investigated. By dark-field TEM methods it is established, that in alloy 2 the additional phase with a rhombic lattice is formed during creep. Particles of this phase precipitate in {gamma}-phase and their quantity increases during high-temperature creep. It is revealed that during creep 3-D dislocation network is formed in {gamma}-phase. At the third stage of creep the process of inversion structure formation is observed in the alloy, i.e. {gamma}'-phase becomes a matrix. Thus during modeling creep the volume fraction of {gamma}'-phase in the samples increases from 30% (at creep duration of 200 hrs) up to 55% (at 500 hrs). The processes of structure formation in Re and Ru-containing nickel superalloys are strongly affected by decomposition of solid solution during high-temperature creep that includes precipitation of additional TCP-phases. (orig.)

Zirconium-cerin solid solutions: thermodynamic model and thermal stability at high temperature; Solutions solides de zirconium dans la cerine: modele thermodynamique et stabilite thermique a haute temperature

Energy Technology Data Exchange (ETDEWEB)

Janvier, C.

1998-04-02

The oxides-gaseous dioxygen equilibria and the textural thermal stability of six zirconium-cerin solutions Ce{sub 1-x}Zr{sub x}O{sub 2} (0solid solutions and the gaseous oxygen by thermal gravimetric analysis at 600 degrees Celsius has shown that these solutions have not a ideal behaviour. A thermodynamic model where the point defects of solutions are included describe them the best. It becomes then possible to know the variations of the concentrations of the point defects in terms of temperature, oxygen pressure and zirconium concentration. A kinetic study (by calcination at 950 degrees Celsius of the solid solutions) of the specific surface area decrease has revealed a minima (0

Studies on Al-Mg solid solutions using electrical resistivity and microhardness measurements

Energy Technology Data Exchange (ETDEWEB)

Gaber, A.; Afify, N.; El-Halawany, S.M.; Mossad, A. [Assiut Univ. (Egypt). Dept. of Physics

1999-08-01

Al-C at% Mg alloys (C = 0.82, 1.84, 3.76, 5.74 and 12.18) have been selected for this study. From the electrical resistivity measurements it is concluded that the resistivity increment of Al-Mg alloys (in a solid solution state) is proportional to the atomic fractional constituents (Mg and Al) as {delta}{rho}{sub all} = 64.66 c(1-c) {mu}{omega} cm. In addition, both the temperature coefficient of resistivity, {alpha}{sub all} and the relaxation time of the free electrons {tau}{sub all} in the alloys diminish with increasing the solute Mg concentration. The increase of the scattering power, {eta}, with increasing C is interpreted to be due to the contribution of electron-impurity scattering. The percentage increase due to electron-impurity scattering per one atomic percent Mg has been determined as 12.99%. The Debye temperature {theta} decreases as the Mg concentration increases. The microhardness results showed that the solid solution hardening obeys the relation {delta}HV{sub s} = 135.5C{sup 0.778} MPa which is comparable to the theory of solid solution hardening for all alloys; {delta}HV{sub s} {approx} C{sup 0.5-0.67} MPa. (orig.)

Solute redistribution in dendritic solidification with diffusion in the solid

Science.gov (United States)

Ganesan, S.; Poirier, D. R.

1989-01-01

An investigation of solute redistribution during dendritic solidification with diffusion in the solid has been performed using numerical techniques. The extent of diffusion is characterized by the instantaneous and average diffusion parameters. These parameters are functions of the diffusion Fourier number, the partition ratio and the fraction solid. Numerical results are presented as an approximate model, which is used to predict the average diffusion parameter and calculate the composition of the interdendritic liquid during solidification.

Uncertainties associated with lacking data for predictions of solid-solution partitioning of metals in soil

International Nuclear Information System (INIS)

Le, T.T. Yen; Hendriks, A. Jan

2014-01-01

Soil properties, i.e., pH and contents of soil organic matter (SOM), dissolved organic carbon (DOC), clay, oxides, and reactive metals, are required inputs to both mechanistic and empirical modeling in assessing metal solid-solution partitioning. Several of these properties are rarely measured in site-specific risk assessment. We compared the uncertainties induced by lacking data on these soil properties in estimating metal soil solution concentrations. The predictions by the Orchestra framework were more sensitive to lacking soil property data than the predictions by the transfer functions. The deviations between soil solution concentrations of Cd, Ni, Zn, Ba, and Co estimated with measured SOM and those estimated with generic SOM by the Orchestra framework were about 10 times larger than the deviations in the predictions by the transfer functions. High uncertainties were induced by lacking data in assessing solid-solution partitioning of oxy-anions like As, Mo, Sb, Se, and V. Deviations associated with lacking data in predicting soil solution concentrations of these metals by the Orchestra framework reached three-to-six orders of magnitude. The solid-solution partitioning of metal cations was strongly influenced by pH and contents of organic matter, oxides, and reactive metals. Deviations of more than two orders of magnitude were frequently observed between the estimates of soil solution concentrations with the generic values of these properties and the estimates based on the measured data. Reliable information on these properties is preferred to be included in the assessment by either the Orchestra framework or transfer functions. - Highlights: • Estimates of metal solid-solution partitioning sensitive to soil property data. • Uncertainty mainly due to lacking reactive metal contents, pH, and organic matter. • Soil solution concentrations of oxy-anions highly influenced by oxide contents. • Clay contents had least effects on solid-solution partitioning

Uncertainties associated with lacking data for predictions of solid-solution partitioning of metals in soil

Energy Technology Data Exchange (ETDEWEB)

Le, T.T. Yen, E-mail: YenLe@science.ru.nl; Hendriks, A. Jan

2014-08-15

Soil properties, i.e., pH and contents of soil organic matter (SOM), dissolved organic carbon (DOC), clay, oxides, and reactive metals, are required inputs to both mechanistic and empirical modeling in assessing metal solid-solution partitioning. Several of these properties are rarely measured in site-specific risk assessment. We compared the uncertainties induced by lacking data on these soil properties in estimating metal soil solution concentrations. The predictions by the Orchestra framework were more sensitive to lacking soil property data than the predictions by the transfer functions. The deviations between soil solution concentrations of Cd, Ni, Zn, Ba, and Co estimated with measured SOM and those estimated with generic SOM by the Orchestra framework were about 10 times larger than the deviations in the predictions by the transfer functions. High uncertainties were induced by lacking data in assessing solid-solution partitioning of oxy-anions like As, Mo, Sb, Se, and V. Deviations associated with lacking data in predicting soil solution concentrations of these metals by the Orchestra framework reached three-to-six orders of magnitude. The solid-solution partitioning of metal cations was strongly influenced by pH and contents of organic matter, oxides, and reactive metals. Deviations of more than two orders of magnitude were frequently observed between the estimates of soil solution concentrations with the generic values of these properties and the estimates based on the measured data. Reliable information on these properties is preferred to be included in the assessment by either the Orchestra framework or transfer functions. - Highlights: • Estimates of metal solid-solution partitioning sensitive to soil property data. • Uncertainty mainly due to lacking reactive metal contents, pH, and organic matter. • Soil solution concentrations of oxy-anions highly influenced by oxide contents. • Clay contents had least effects on solid-solution partitioning

Crystallite-conjugation regions in polycrystalline transition and noble metals. 1. Composition and properties of point defects in the cores of crystallite-conjugation regions in polycrystalline Cr, Ta and W

International Nuclear Information System (INIS)

Klotsman, S.M.; Kajgorodov, V.N.; Ermakov, A.V.; Rudenko, V.K.

2004-01-01

With the use of available results of theoretical investigations on structure and properties of crystallite conjugation regions (CCR) the types and relaxation volumes of point defects arising in a core of the CCR of polycrystalline Ta, W and Cr after vacuum annealing (10 -6 - 10 -5 torr) are determined. Temperature dependences are studied for isomer shifts δ 1 and δ 2 of -1 and -2 components of emission spectra of NGR-irradiation 57 Co( 57 Fe) atomic probes localized in a core of the CCR and in adjacent zones of the lattice of polycrystalline solid solutions of O(Ta), O(W) and O(Cr). A comparison of the dependences obtained is carried and the specific features observed are explained for O(Cr) [ru

Active Edge Sites Engineering in Nickel Cobalt Selenide Solid Solutions for Highly Efficient Hydrogen Evolution

KAUST Repository

Xia, Chuan

2017-01-06

An effective multifaceted strategy is demonstrated to increase active edge site concentration in NiCoSe solid solutions prepared by in situ selenization process of nickel cobalt precursor. The simultaneous control of surface, phase, and morphology result in as-prepared ternary solid solution with extremely high electrochemically active surface area (C = 197 mF cm), suggesting significant exposure of active sites in this ternary compound. Coupled with metallic-like electrical conductivity and lower free energy for atomic hydrogen adsorption in NiCoSe, identified by temperature-dependent conductivities and density functional theory calculations, the authors have achieved unprecedented fast hydrogen evolution kinetics, approaching that of Pt. Specifically, the NiCoSe solid solutions show a low overpotential of 65 mV at -10 mV cm, with onset potential of mere 18 mV, an impressive small Tafel slope of 35 mV dec, and a large exchange current density of 184 μA cm in acidic electrolyte. Further, it is shown that the as-prepared NiCoSe solid solution not only works very well in acidic electrolyte but also delivers exceptional hydrogen evolution reaction (HER) performance in alkaline media. The outstanding HER performance makes this solid solution a promising candidate for mass hydrogen production.

Current state in adsorption from multicomponent solutions of nonelectrolytes on solids

International Nuclear Information System (INIS)

Borowko, M.; Jaroniec, M.

1983-01-01

This paper surveys the research carried out on the adsorption from multicomponent liquid mixtures of nonelectrolytes on solids with emphasis on the work performed by the authors. The consistent theoretical treatment of adsorption from concentrated and dilute multicomponent solutions and its application to the liquid adsorption chromatography with the mixed mobile phase are presented. This treatment involved nonideality of the bulk and surface phases, energetic heterogeneity of the adsorbent surface and it may be extended to multilayer adsorption from solutions. The multicomponent liquid/solid adsorption systems, studied experimentally, are reviewed. Many of them have been examined by means of the equations derived for liquid adsorption on heterogeneous surfaces. These studies are summarized in this paper. Moreover, the model studies illustrating the influence of solution nonideality and adsorbent heterogeneity on the excess adsorption isotherms and the distribution coefficient are discussed. (orig.)

Face-centered-cubic Nb-Si solid solutions produced by picosecond pulsed laser quenching

International Nuclear Information System (INIS)

Wang, W.K.; Spaepen, F.

1985-01-01

Face-centered-cubic Nb/sub 100-x/Si/sub x/ solid solutions (10 2 . The lattice parameters of these solutions suggest that the solute atoms can be interstitial or substitutional, probably as a result of a change in the quenching conditions

Multiferroic properties in NdFeO3-PbTiO3 solid solutions

Science.gov (United States)

Kumar, Sunil; Pal, Jaswinder; Kaur, Shubhpreet; Agrawal, P.; Singh, Mandeep; Singh, Anupinder

2018-05-01

The x(NdFeO3) - 1-x(PbTiO3) where x = 0.2 solid solution was prepared using solid state reaction route. The X-ray diffraction (XRD) data reveals the single phase formation. The microstructure shows grain growth with lesser porosity. The energy dispersive analysis confirms the presence of elements in stochiometric proportion. The polarization vs. Electric field loop estabilished a ferroelectric type behavior but lossy in nature. This lossy nature may be due to the presence of large leakage current in solid solution. The Magnetization vs. Magnetic field plot exhibits a unsaturated hysteriss loop indicates that the sample is not purely ferromagnetic.

Structure and high-piezoelectricity in lead oxide solid solutions

NARCIS (Netherlands)

Noheda, B.

2002-01-01

A review of the recent advances in the understanding of piezoelectricity in lead oxide solid solutions is presented, giving special attention to the structural aspects. It has now become clear that the very high electromechanical response in these materials is directly related to the existence of

Existence of a solid solution from brucite to β-Co(OH)2

International Nuclear Information System (INIS)

Giovannelli, F.; Delorme, F.; Autret-Lambert, C.; Seron, A.; Jean-Prost, V.

2012-01-01

Highlights: ► A solid solution exist between Mg(OH) 2 and β-Co(OH) 2 . ► Synthesis has been performed through an easy and fast coprecipitation route. ► No long range-ordering of the cations occurs. -- Abstract: This study shows that between brucite (Mg(OH) 2 ) and β-Co(OH) 2 , all the compositions are possible. The solid solution Mg 1−x Co x (OH) 2 has been synthesized by an easy and fast coprecipitation route and characterized by XRD and TEM. Single phase powders have been obtained. The particles exhibit platelets morphology with a size close to one hundred nanometers. XRD analysis shows an evolution of the cell parameters when x increases and demonstrates that no ordering of the cations occurs. However, extra reflections on TEM electron diffraction patterns seem to indicate that local ordering can exist. The compounds issued from this solid solution could be good candidates as precursors in order to obtain Mg–Co mixed oxide with all possible cationic ratios.

Isoelectronic substitutions and aluminium alloying in the Ta-Nb-Hf-Zr-Ti high-entropy alloy superconductor

Science.gov (United States)

von Rohr, Fabian O.; Cava, Robert J.

2018-03-01

High-entropy alloys (HEAs) are a new class of materials constructed from multiple principal elements statistically arranged on simple crystallographic lattices. Due to the large amount of disorder present, they are excellent model systems for investigating the properties of materials intermediate between crystalline and amorphous states. Here we report the effects of systematic isoelectronic replacements, using Mo-Y, Mo-Sc, and Cr-Sc mixtures, for the valence electron count 4 and 5 elements in the body-centered cubic (BCC) Ta-Nb-Zr-Hf-Ti high-entropy alloy (HEA) superconductor. We find that the superconducting transition temperature Tc strongly depends on the elemental makeup of the alloy, and not exclusively its electron count. The replacement of niobium or tantalum by an isoelectronic mixture lowers the transition temperature by more than 60%, while the isoelectronic replacement of hafnium, zirconium, or titanium has a limited impact on Tc. We further explore the alloying of aluminium into the nearly optimal electron count [TaNb] 0.67(ZrHfTi) 0.33 HEA superconductor. The electron count dependence of the superconducting Tc for (HEA)Al x is found to be more crystallinelike than for the [TaNb] 1 -x(ZrHfTi) x HEA solid solution. For an aluminum content of x =0.4 the high-entropy stabilization of the simple BCC lattice breaks down. This material crystallizes in the tetragonal β -uranium structure type and superconductivity is not observed above 1.8 K.

Determination of the electronic structure and UV-Vis absorption properties of (Na2-xCux)Ta4O11 from first-principle calculations

KAUST Repository

Harb, Moussab

2013-08-29

Density functional theory (DFT) and density functional perturbation theory (DFPT) were applied to study the structural, electronic, and optical properties of a (Na2-xCux)Ta4O11 solid solution to accurately calculate the band gap and to predict the optical transitions in these materials using the screened coulomb hybrid (HSE06) exchange-correlation formalism. The calculated density of states showed excellent agreement with UV-vis diffuse reflectance spectra predicting a significant red-shift of the band gap from 4.58 eV (calculated 4.94 eV) to 2.76 eV (calculated 2.60 eV) as copper content increased from 0 to 83.3%. The band gap narrowing in these materials, compared to Na2Ta4O11, results from the incorporation of new occupied electronic states, which are strongly localized on the Cu 3d orbitals, and is located within 2.16-2.34 eV just above the valence band of Na2Ta4O11. These new occupied states, however, possess an electronic character localized on Cu, which makes hole mobility limited in the semiconductor. © 2013 American Chemical Society.

Calorimetric measurements on plutonium rich (U,Pu)O2 solid solutions

International Nuclear Information System (INIS)

Kandan, R.; Babu, R.; Nagarajan, K.; Vasudeva Rao, P.R.

2008-01-01

Enthalpy increments of U (1-y) Pu y O 2 solid solutions with y = 0.45, 0.55 and 0.65 were measured using a high-temperature differential calorimeter by employing the method of inverse drop calorimetry in the temperature range 956-1803 K. From the fit equations for the enthalpy increments, other thermodynamic functions such as heat capacity, entropy and Gibbs energy function have been computed in the temperature range 298-1800 K. The results are presented and compared with the data available in the literature. The results indicate that the enthalpies of U (1-y) Pu y O 2 solid solutions with y = 0.45, 0.55 and 0.65 obey the Neumann-Kopp's molar additivity rule

Effect of tantalum on α-martensite crystal structure in Co-Ta alloy

International Nuclear Information System (INIS)

Skorodzievskij, V.S.; Ustinov, A.I.; Chuistov, K.V.

1985-01-01

Changes in the crystal structure of α-martensite, formed during Co-Ta alloy hardening from the region of a homogeneous solid solution, are investigated by X-ray analysis methods. In case of increasing tantalum content in the alloy, intensity redistribution of X-ray scattering along the direction of the reverse space of H-K not equal to 3N (N=0, +-1, +-2...) type is fixed, which appears, depending on concentration, in continuous displacement of maxima from positions being characteristic for the initial 2H structure, as well as in occurring additional maxima and in changing the ratio between them by ipteΣity. For limiting values of tantalum concentration, where β → α-transformations are still observed, the number of intepsity maxima and their positions an the period of α-martensite reverse lattice recurrence period is closer to the location of 15R 1 -structure reverse structure unit

Investigation of TaC–TaB2 ceramic composites

Indian Academy of Sciences (India)

ture and the mechanical properties of the composites were investigated. The results .... 300 nm. Jingangzuan in the TaC/TaB2 composites SPS for 10 min at different temperatures are .... [1] Liu L, Yea F, Hea X and Zhoua Y 2011 Mater. Chem.

Solid solutions of hydrogen in niobium, molybdenum and their alloys

International Nuclear Information System (INIS)

Ishikawa, T.T.

1981-01-01

The solubility of hydrogen in niobium, molybdenum and niobium-molybdenum alloys with varying atomic fraction of molybdenum from 0.15 to 0.75 was measured on the temperature range of 673 0 K to 1273 0 k for one atmosphere hydrogen pressure. The experimental technique involved the saturation of the solvent metal or alloy with hydrogen, followed by quenching and analysis of the solid solution. The results obtained of hydrogen solubility are consistent with the quasi-regular model for the dilute interstitial solid solutions. The partial molar enthalpy and partial molar entropy in excess of the dissolved hydrogen atoms were calculated from data of solubility versus reciprocal doping temperature. The variation of the relative partial molar enthalpy of hydrogen dissolved in niobium-molybdenum alloys, with the increase of molybdenum content of the alloy was analized. (Author) [pt

75 FR 43556 - TA-W-73,381, MT Rail Link, Inc., Missoula, MT; TA-W-73,381A, Billings, MT; TA-W-73,381B, Laurel...

Science.gov (United States)

2010-07-26

... DEPARTMENT OF LABOR Employment and Training Administration TA-W-73,381, MT Rail Link, Inc., Missoula, MT; TA-W-73,381A, Billings, MT; TA-W-73,381B, Laurel, MT; TA-W-73,381C, Livingston, MT; TA-W-73... Helena, Montana. The amended notice applicable to TA-W-73,381 is hereby issued as follows: All workers of...

Limited Range Sesame EOS for Ta

Energy Technology Data Exchange (ETDEWEB)

Greeff, Carl William [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Crockett, Scott [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Rudin, Sven Peter [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Burakovsky, Leonid [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2017-03-30

A new Sesame EOS table for Ta has been released for testing. It is a limited range table covering T ≤ 26, 000 K and ρ ≤ 37.53 g/cc. The EOS is based on earlier analysis using DFT phonon calculations to infer the cold pressure from the Hugoniot. The cold curve has been extended into compression using new DFT calculations. The present EOS covers expansion into the gas phase. It is a multi-phase EOS with distinct liquid and solid phases. A cold shear modulus table (431) is included. This is based on an analytic interpolation of DFT calculations.

Thermal expansion of TRU nitride solid solutions as fuel materials for transmutation of minor actinides

International Nuclear Information System (INIS)

Takano, Masahide; Akabori, Mitsuo; Arai, Yasuo; Minato, Kazuo

2009-01-01

The lattice thermal expansion of the transuranium nitride solid solutions was measured to investigate the composition dependence. The single-phase solid solution samples of (Np 0.55 Am 0.45 )N, (Pu 0.59 Am 0.41 )N, (Np 0.21 Pu 0.52 Am 0.22 Cm 0.05 )N and (Pu 0.21 Am 0.18 Zr 0.61 )N were prepared by carbothermic nitridation of the respective transuranium dioxides and nitridation of Zr metal through hydride. The lattice parameters were measured by the high temperature X-ray diffraction method from room temperature up to 1478 K. The linear thermal expansion of each sample was determined as a function of temperature. The average thermal expansion coefficients over the temperature range of 293-1273 K for the solid solution samples were 10.1, 11.5, 10.8 and 8.8 x 10 -6 K -1 , respectively. Comparison of these values with those for the constituent nitrides showed that the average thermal expansion coefficients of the solid solution samples could be approximated by the linear mixture rule within the error of 2-3%.

A fluorescent chemosensor for Zn(II). Exciplex formation in solution and the solid state.

Science.gov (United States)

Bencini, Andrea; Berni, Emanuela; Bianchi, Antonio; Fornasari, Patrizia; Giorgi, Claudia; Lima, Joao C; Lodeiro, Carlos; Melo, Maria J; de Melo, J Seixas; Parola, Antonio Jorge; Pina, Fernando; Pina, Joao; Valtancoli, Barbara

2004-07-21

The macrocyclic phenanthrolinophane 2,9-[2,5,8-triaza-5-(N-anthracene-9-methylamino)ethyl]-[9]-1,10-phenanthrolinophane (L) bearing a pendant arm containing a coordinating amine and an anthracene group forms stable complexes with Zn(II), Cd(II) and Hg(II) in solution. Stability constants of these complexes were determined in 0.10 mol dm(-3) NMe(4)Cl H(2)O-MeCN (1:1, v/v) solution at 298.1 +/- 0.1 K by means of potentiometric (pH metric) titration. The fluorescence emission properties of these complexes were studied in this solvent. For the Zn(II) complex, steady-state and time-resolved fluorescence studies were performed in ethanol solution and in the solid state. In solution, intramolecular pi-stacking interaction between phenanthroline and anthracene in the ground state and exciplex emission in the excited state were observed. From the temperature dependence of the photostationary ratio (I(Exc)/I(M)), the activation energy for the exciplex formation (E(a)) and the binding energy of the exciplex (-DeltaH) were determined. The crystal structure of the [ZnLBr](ClO(4)).H(2)O compound was resolved, showing that in the solid state both intra- and inter-molecular pi-stacking interactions are present. Such interactions were also evidenced by UV-vis absorption and emission spectra in the solid state. The absorption spectrum of a thin film of the solid complex is red-shifted compared with the solution spectra, whereas its emission spectrum reveals the unique featureless exciplex band, blue shifted compared with the solution. In conjunction with X-ray data the solid-state data was interpreted as being due to a new exciplex where no pi-stacking (full overlap of the pi-electron cloud of the two chromophores - anthracene and phenanthroline) is observed. L is a fluorescent chemosensor able to signal Zn(II) in presence of Cd(II) and Hg(II), since the last two metal ions do not give rise either to the formation of pi-stacking complexes or to exciplex emission in solution.

Photocatalytic hydrogen production using visible-light-responsive Ta 3N5 photocatalyst supported on monodisperse spherical SiO2 particulates

KAUST Repository

Liu, Xiaoming

2014-01-01

Fine nanoparticles of Ta3N5 (10-20 nm) were synthesized on the surfaces of SiO2 spheres with a diameter of ∼550 nm. A sol-gel method was used to modify the surface of SiO2 with Ta2O5 from TaCl5 dissolved in ethanol in the presence of citric acid and polyethylene glycol. The resulting oxide composites were treated in an NH3 flow at 1123 K to form core-shell structured Ta3N5/SiO2 sub-microspheres. The obtained samples were characterized using powder X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), field emission scanning electron microscopy (FESEM), energy-dispersive X-ray spectra (EDX), transmission electron microscopy (TEM), and photocatalytic activity measurements for H 2 evolution from an aqueous methanol solution. The XRD results demonstrate the expected sequential formation of Ta2O5 layers, followed by Ta3N5 after nitridation on the Ta 2O5/SiO2 composite. SEM and TEM observations indicate that the obtained Ta3N5/SiO2 sub-microspheres have a uniform size distribution with high crystallinity and an obvious core-shell structure. The presence of support maintained the intrinsic photocatalytic activity of Ta3N5 nanoparticles, but it did drastically improve the dispersion of the photocatalysts in the solution. This study proposes the use of an inert support in photocatalytic reactors to improve ease of handling the powder photocatalyst for gas-phase photocatalysis and the suspension of the solution, controlling nature of light harvesting and degree of scattering of the photoreactor. © 2013 Elsevier Ltd. All rights reserved.

Oxidation behaviors of the TiNi/Ti_2Ni matrix composite coatings with different contents of TaC addition fabricated on Ti6Al4V by laser cladding

International Nuclear Information System (INIS)

Lv, Y.H.; Li, J.; Tao, Y.F.; Hu, L.F.

2016-01-01

The TiNi/Ti_2Ni matrix composite coatings were fabricated on Ti6Al4V by laser cladding the mixtures of NiCrBSi and different contents of TaC (0 wt%, 5 wt%, 15 wt%, 30 wt% and 40 wt%). Scanning electron microscopy (SEM), energy dispersive spectrometry (EDS) and X-ray diffractometry (XRD) were used to examine the microstructures of the coatings. Oxidation behaviors of these coatings were also investigated at 800 °C for 50 h in air. The results showed that the coating without TaC addition was mainly composed of TiNi/Ti_2Ni as the matrix and TiC/TiB_2/TiB as the reinforcement. TaC was dissolved completely and precipitated again during laser cladding. Ta and C from the added TaC mainly existed as the solute atoms in the solid solutions of TiC, TiB_2 and TiB in the coatings with TaC addition. The addition of TaC refined the microstructures of the coatings. In the oxidation test, the oxidation process was divided into the violent oxidation stage and the slow oxidation stage. The oxidation rates of the substrate and the coatings with different contents of TaC (0, 5, 15, 30, 40 wt%) were 0.644, 0.287, 0.173, 0.161, 0.223 and 0.072 mg cm"−"2 h"−"1 in the first stage, 0.884, 0.215, 0.136, 0.126, 0.108 and 0.040 mg"2 cm"−"4 h"−"1 in the second stage, respectively. The weight gain of these samples were 6.70, 3.30, 2.86, 2.64, 2.41 and 1.69 mg cm"−"2, respectively after the whole oxidation test. The oxidation film formed on the surface of the coating without TaC addition mainly consisted of TiO_2, Al_2O_3, and a small amount of NiO, Cr_2O_3 and SiO_2. Moreover, Ta_2O_5 was also formed on the surfaces of these coatings with different contents of TaC. The oxides formed during the oxidation test were supposed to be responsible for the improvement in oxidation resistance of these coatings. - Highlights: • The composite coatings with TaC addition were fabricated on Ti6Al4V by laser cladding. • Effect of TaC addition on microstructural evolution of the coatings was

Dynamic Aspects of Solid Solution Cathodes for Electrochemical Power Sources

DEFF Research Database (Denmark)

Atlung, Sven; West, Keld; Jacobsen, Torben

1979-01-01

Battery systems based on alkali metal anodes and solid solution cathodes,i.e., cathodes based on the insertion of the alkali cation in a "host lattice,"show considerable promise for high energy density storage batteries. Thispaper discusses the interaction between battery requirements...

Characterization of BaBi2Ta2O9 prepared through amorphous precursor

International Nuclear Information System (INIS)

Maczka, M.; Kepinski, L.; Hermanowicz, K.; Dacko, S.; Czapla, Z.; Hanuza, J.

2011-01-01

Research highlights: → Formation of Bi-layered BaBi 2 Ta 2 O 9 proceeds via an intermediate fluorite phase. → Mechanochemical activation lowers the synthesis temperature by 150-200 deg. C. → The lateral size of the synthesized plate-like crystallites is about 100-200 nm. → Properties of the synthesized crystallites are different from the bulk material. - Abstract: Formation of ferroelectric BaBi 2 Ta 2 O 9 by annealing of an amorphous precursor prepared by high energy milling in ball mill has been studied by X-ray, scanning electron microscopy (SEM), Raman, infrared spectroscopy (IR), diffuse reflectivity and dielectric measurements. Our results show that formation of Bi-layered BaBi 2 Ta 2 O 9 proceeds via an intermediate fluorite phase. Mechanochemical activation allows obtaining BaBi 2 Ta 2 O 9 at short time and much lower temperatures than those required in a conventional solid state reaction. The lateral size of the plate-like crystallites is about 100-200 nm and properties of the synthesized particles are different compared to the bulk material.

High-temperature, Knudsen cell-mass spectroscopic studies on lanthanum oxide/uranium dioxide solid solutions

International Nuclear Information System (INIS)

Sunder, S.; McEachern, R.; LeBlanc, J.C.

2001-01-01

Knudsen cell-mass spectroscopic experiments were carried out with lanthanum oxide/uranium oxide solid solutions (1%, 2% and 5% (metal at.% basis)) to assess the volatilization characteristics of rare earths present in irradiated nuclear fuel. The oxidation state of each sample used was conditioned to the 'uranium dioxide stage' by heating in the Knudsen cell under an atmosphere of 10% CO 2 in CO. The mass spectra were analyzed to obtain the vapour pressures of the lanthanum and uranium species. It was found that the vapour pressure of lanthanum oxide follows Henry's law, i.e., its value is directly proportional to its concentration in the solid phase. Also, the vapour pressure of lanthanum oxide over the solid solution, after correction for its concentration in the solid phase, is similar to that of uranium dioxide. (authors)

Vaporization study on vanadium-oxygen solid solution by mass spectrometric method

International Nuclear Information System (INIS)

Banchorndhevakul, W.; Matsui, Tsuneo; Naito, Keiji

1986-01-01

The vapor pressures over vanadium-oxygen solid solution (0.001 ≤ O/V ≤ 0.145) were measured by mass-spectrometric method in the temperature range of 1,855 ∼ 2,117 K. The main vapor species were observed to be V(g) and VO(g). The vapor pressure of V(g) is higher than that of VO(g) over the solid solutions with all O/V ratios except for O/V = 0.145. The vapor pressure of V(g) is nearly independent of O/V ratio. The vapor pressure of VO(g) decreases with decreasing O/V ratio. The oxygen partial pressure was calculated as a function of temperature and O/V ratio from the vapor pressures of V(g) and VO(g), from which the partial molar enthalpy and entropy of oxygen in the solid solution were determined. The partial molar enthalpy of oxygen was observed to be independent of composition, suggesting the presence of very weak interaction between interstitial oxygens. The compositional dependence of the partial molar entropy of oxygen can be explained by assuming the occupation of the octahedral site in bcc vanadium lattice by the interstitial oxygens. The excess partial molar entropy of oxygen was compared with the value derived from the sum of the contributions from the volume expansion, electronic heat capacity and vibrational terms. (author)

Studies on thermal expansion and XPS of urania-thoria solid solutions

International Nuclear Information System (INIS)

Anthonysamy, S.; Panneerselvam, G.; Bera, Santanu; Narasimhan, S.V.; Vasudeva Rao, P.R.

2000-01-01

The thermal expansion characteristics of polycrystalline (U y Th 1-y )O 2 solid solutions with y=0.13, 0.55 and 0.91 were determined in the temperature range from 298 to 1973 K by means of X-ray diffraction technique. For these temperatures, the average linear thermal expansion coefficients for (U 0.13 Th 0.87 )O 2 , (U 0.55 Th 0.45 )O 2 and (U 0.91 Th 0.09 )O 2 are 1.033x10 -5 , 1.083x10 -5 and 1.145x10 -5 K -1 , respectively. The measured thermal expansion values were compared with those calculated by applying the equations for linear thermal expansion of pure urania and thoria. It was shown that the stoichiometric (U, Th)O 2 solid solutions are almost ideal at least up to 2000 K. The binding energies of U 4f 7/2 and Th 4f 7/2 electrons of (U 0.1 Th 0.9 )O 2 , (U 0.25 Th 0.75 )O 2 , (U 0.50 Th 0.50 )O 2 , (U 0.75 Th 0.25 )O 2 and (U 0.90 Th 0.10 )O 2 were experimentally determined by X-ray photoelectron spectroscopy. The result showed the presence of only U 4+ and Th 4+ chemical states in the stoichiometric urania-thoria solid solutions

High-pressure phases of Weyl semimetals NbP, NbAs, TaP, and TaAs

Science.gov (United States)

Guo, ZhaoPeng; Lu, PengChao; Chen, Tong; Wu, JueFei; Sun, Jian; Xing, DingYu

2018-03-01

In this study, we used the crystal structure search method and first-principles calculations to systematically explore the highpressure phase diagrams of the TaAs family (NbP, NbAs, TaP, and TaAs). Our calculation results show that NbAs and TaAs have similar phase diagrams, the same structural phase transition sequence I41 md→ P6¯ m2→ P21/ c→ Pm3¯ m, and slightly different transition pressures. The phase transition sequence of NbP and TaP differs somewhat from that of NbAs and TaAs, in which new structures emerge, such as the Cmcm structure in NbP and the Pmmn structure in TaP. Interestingly, we found that in the electronic structure of the high-pressure phase P6¯ m2-NbAs, there are coexistingWeyl points and triple degenerate points, similar to those found in high-pressure P6¯ m2-TaAs.

High-temperature x-ray diffraction study of HfTiO4-HfO2 solid solutions

International Nuclear Information System (INIS)

Carpenter, D.A.

1975-01-01

High-temperature x-ray diffraction techniques were used to determine the axial thermal expansion curves of HfTiO 4 -HfO 2 solid solutions as a function of composition. Data show increasing anisotropy with increasing HfO 2 content. An orthorhombic-to-monoclinic phase transformation was detected near room temperature for compositions near the high HfO 2 end of the orthorhombic phase field and for compositions within the two-phase region (HfTiO 4 solid solution plus HfO 2 solid solution). An orthorhombic-to-cubic phase transformation is indicated by data from oxygen-deficient materials at greater than 1873 0 K. (U.S.)

The effects of additives on the microstructure and sinterability of molybdenum oxide - study of related solid solutions

International Nuclear Information System (INIS)

Kassem, M.

2006-01-01

This study focuses on the phase transformation induced during mixing a fixed quantity of MoO 3 with various concentration of V 2 O 5 , Bn 2 O 5 , Al 2 O 3 and pure aluminium. These concentrations are 2, 3, 4, 5, 10, 20, 40 and 50%. Employing several physical techniques such as x-ray powder diffraction, FTIR and DTA, different solid solution were identified. Also the compressibility and sintering of these solid solutions have been studied via the variation of the density of pellets prepared from these solid solutions (Author)

Web TA Production (WebTA)

Data.gov (United States)

US Agency for International Development — WebTA is a web-based time and attendance system that supports USAID payroll administration functions, and is designed to capture hours worked, leave used and...

Density of salt melts containing KF, KCl, K2TaF7 and Ta2O5

International Nuclear Information System (INIS)

Agulyanskij, A.I.; Stangrit, P.T.; Konstantinov, V.I.

1978-01-01

The results of density measurements by hydrostatic weighing are given for molten K 2 TaF 7 - KF, K 2 TaF 7 -KCL, K 2 TaF 7 - KF - KCl and K 2 TaF 7 - KF - KCl - Ta 2 O 5 mixtures depending on their temperature and composition. The density of the last two systems was measured at compositions close to those of commercial electrolytes. The obtained specific volume - composition dependencies show that no interaction is taking place in the mixtures studied. It is, therefore, believed that, in the K 2 TaF 7 - KF melt, tantalum is mainly present as a complex TaF 7 2- ion, and, in the K 2 TaF 7 - KCl mlt, a certain amount of TaF 6 - ions may be formed along with TaF 7 2-

Existence of a solid solution from brucite to {beta}-Co(OH){sub 2}

Energy Technology Data Exchange (ETDEWEB)

Giovannelli, F., E-mail: fabien.giovannelli@univ-tours.fr [LEMA, UMR 6157 CNRS - CEA, Universite Francois Rabelais, 15 rue de la chocolaterie, 41000 Blois (France); Delorme, F.; Autret-Lambert, C. [LEMA, UMR 6157 CNRS - CEA, Universite Francois Rabelais, 15 rue de la chocolaterie, 41000 Blois (France); Seron, A.; Jean-Prost, V. [BRGM, 3 Avenue Claude Guillemin, BP 36009, 45060 Orleans Cedex 2 (France)

2012-05-15

Highlights: Black-Right-Pointing-Pointer A solid solution exist between Mg(OH){sub 2} and {beta}-Co(OH){sub 2}. Black-Right-Pointing-Pointer Synthesis has been performed through an easy and fast coprecipitation route. Black-Right-Pointing-Pointer No long range-ordering of the cations occurs. -- Abstract: This study shows that between brucite (Mg(OH){sub 2}) and {beta}-Co(OH){sub 2}, all the compositions are possible. The solid solution Mg{sub 1-x}Co{sub x}(OH){sub 2} has been synthesized by an easy and fast coprecipitation route and characterized by XRD and TEM. Single phase powders have been obtained. The particles exhibit platelets morphology with a size close to one hundred nanometers. XRD analysis shows an evolution of the cell parameters when x increases and demonstrates that no ordering of the cations occurs. However, extra reflections on TEM electron diffraction patterns seem to indicate that local ordering can exist. The compounds issued from this solid solution could be good candidates as precursors in order to obtain Mg-Co mixed oxide with all possible cationic ratios.

On the ex situ and in situ doping of refractory Ta by pulsed laser ablation

Energy Technology Data Exchange (ETDEWEB)

Lin, Y.L.; Lin, S.S.; Shen, P. [National Sun Yat-sen University, Department of Materials and Optoelectronic Science, Kaohsiung, Taiwan (China); Chen, S. [I-Shou University, Department of Mechanical and Automation Engineering, Kaohsiung, Taiwan (China)

2017-06-15

Ex situ and in situ doping processes of refractory Ta were accomplished by pulsed laser ablation of bulk Ta in vacuum with C-O-H supply from C-coated collodion film and within tetraethyl orthosilicate (TEOS), respectively. Analytical electron microscopic observations of the resultant particulates and condensates indicated that the former process involved interdiffusion in the condensed state to form two kinds of core-shell structures, i.e., C-O-H doped Ta with α-type (bcc) core and lamellar shell and O-H doped γ-TaC{sub 1-x} with amorphous Ta-C-O-H surrounding, respectively, for potential wear and lubrication applications at high temperatures. In situ TEOS mediation, however, enhanced solute trapping to form Si-C-O-H overdoped α-Ta with significant tetragonality (c/a ratio up to 1.27) and Si-O-H doped γ-TaC{sub 1-x} with {111}{sub γ} twin/fault and occasional epitaxial relationship [ anti 123]{sub α}//[ anti 112]{sub γ}; (121){sub α}//(anti 11 anti 1){sub γ} due to particle coalescence. Such Si-C-O-H mediated Ta particles may have potential optocatalytic applications. (orig.)

Ionic thermocurrents and ionic conductivity of solid solutions of SrF2 and YbF3

NARCIS (Netherlands)

Meuldijk, J.; Hartog, den H.W.

1983-01-01

We report dielectric [ionic thermocurrent (!TC)] experiments and ionic conductivity of cubic solid solutions of the type Sr1-xYbxF2+x. These combined experiments provide us with new information concerning the ionic conductivity mechanisms which play an important role in solid solutions Sr1-xRxF2+x

Studying the Super-cooled Solid Solution Breakdown of V-1341 Aluminum Alloy

Directory of Open Access Journals (Sweden)

Yu. A. Puchkov

2017-01-01

Full Text Available Deformable alloys of the Al-Mg-Si system are widely used in aviation industry, rocket engineering, shipbuilding, as well as on railway and highway transport. These alloys are characterized by high stamping ability, weld-ability, and machinability with a comparatively high strength and corrosion resistance in a heat-strengthened state. A promising alloy of the Al-Mg-Si system with increased structural strength and manufacturability is on par with foreign analogues in properties is the V-1341 alloy [1, 2].The properties of heat-treatable aluminum alloys strongly depend on the cooling rate of the product during quenching [3-12], which determines the structure and level of residual stresses. Decrease in structural strength, tendency to pitting and inter-crystalline corrosion with slow cooling from the quenching temperature is caused by formation of coarse unequiaxed precipitate, precipitates-free zones, and also by decreasing proportion of inclusions of the strengthening phase [3-12].Thus, the relevant task is to study the effect of isothermal quenching modes on the structure of deformable V-1341 aluminum alloy thermally hardened.The paper studies the impact of isothermal time in quenching on the composition and morphology of breakdown products of the V-1341 alloy solid solution. It is shown that at isothermal time under the solid solution breakdown, at first on the dispersoid surface and then in the solid solution are formed and grow large needle-like crystals of the β'-phase which are structural concentrators of stresses. An increasing isothermal time leads to decreasing solid solution super-saturation by doping elements and vacancies. This leads to a decrease in the fraction of the coherent finely dispersed hardening β '' phase, and also to an increase in the width of the precipitates-free zone.

78 FR 28627 - TA-W-80,340; TA-W-80,340A; TA-W-80,340B

Science.gov (United States)

2013-05-15

...] Bush Industries, Inc., Mason Drive Facility, Including On-Site Leased Workers From Morris Security...., Mason Drive Facility, Jamestown, New York (TA-W-80,340) and Bush Industries, Inc., Allen Street Facility... applicable to TA-W-80,340 is hereby issued as follows: All workers of Bush Industries, Inc., Mason Drive...

Excess Gibbs energy for six binary solid solutions of molecularly simple substances

Energy Technology Data Exchange (ETDEWEB)

Lobo, L J; Staveley, L A.K.

1985-01-01

In this paper we apply the method developed in a previous study of Ar + CH/sub 4/ to the evaluation of the excess Gibbs energy G /SUP E.S/ for solid solutions of two molecularly simple components. The method depends on combining information on the excess Gibbs energy G /SUP E.L/ for the liquid mixture of the two components with a knowledge of the (T, x) solid-liquid phase diagram. Certain thermal properties o the pure substances are also needed. G /SUP E.S/ has been calculated for binary mixtures of Ar + Kr, Kr + CH/sub 4/, CO + N/sub 2/, Kr + Xe, Ar + N/sub 2/, and Ar + CO. In general, but not always, the solid mixtures are more non-ideal than the liquid mixtures of the same composition at the same temperature. Except for the Kr + CH/sub 4/ system, the ratio r = G /SUP E.S/ /G /SUP E.L/ is larger the richer the solution in the component with the smaller molecules.

B-site substituted solid solutions on the base of sodium-bismuth titanate

Directory of Open Access Journals (Sweden)

V. M. Ishchuk

2016-12-01

Full Text Available The paper presents results of studies of the formation of phases during the solid-state synthesis in the [(Na0.5Bi0.50.80Ba0.20](Ti1–yByO3 system of solid solutions with B-site substitutions. The substitutions by zirconium, tin and ion complexes (In0.5Nb0.5 and (Fe0.5Nb0.5 have been studied. It has been found that the synthesis is a multi-step process associated with the formation of a number of intermediate phases (depending on the compositions and calcination temperatures. Single-phase solid solutions have been produced at the calcination temperatures in the interval 1000–1100∘C. An increase in the substituting ions concentration leads to a linear increase of the crystal cell size. At the same time, the tolerance factor gets reduced boosting the stability of the antiferroelectric phase as compared to that of the ferroelectric phase.

Solution and solid-state electrochemiluminescence of a fac-tris(2-phenylpyridyl)iridium(III)-cored dendrimer

International Nuclear Information System (INIS)

Reid, Ellen F.; Burn, Paul L.; Lo, Shih-Chun; Hogan, Conor F.

2013-01-01

The solution phase and solid-state electrochemistry and electrochemiluminescence (ECL) of an iridium(III) complex-cored dendrimeric analogue of Ir(ppy) 3 , (G1pIr), are reported. The solid-state electrochemistry and solid-state ECL of Ir(ppy) 3 itself is also described for the first time. In solution phase, the dendrimer displays greater immunity to oxygen quenching in photoluminescence (PL) experiments and exhibits greater ECL efficiency compared to the parent Ir(ppy) 3 core under the same conditions, despite a lower photoluminescence quantum yield. It is proposed that the dendrons which effectively shield the core from PL quenching interactions in the solid-state counteract the effects of parasitic side-reactions during the solution ECL experiments. Electroactive and ECL-active solid-state films of both Ir(ppy) 3 and G1pIr were produced by drop-coating on boron doped diamond electrodes. Films of Ir(ppy) 3 produced stable co-reactant ECL. However, films of G1pIr produced lower than expected ECL intensity. This was attributed to poorer charge transport and the lipophilicity of the film limiting the rate of interaction with the co-reactant required for formation of the excited state

Structural transformation in mechanosynthesized bcc Fe-Al-Si(Ge) solid solutions during heating

International Nuclear Information System (INIS)

Kubalova, L.M.; Sviridov, I.A.; Vasilyeva, O.Ya.; Fadeeva, V.I.

2007-01-01

X-ray diffractometry and Moessbauer spectroscopy study of Fe 50 Al 25 Si 25 and Fe 50 Al 25 Ge 25 alloys obtained by mechanical alloying (MA) of elementary powders was carried out. Phase transformation during heating of synthesized products was studied using differential scanning calorimetry (DSC). After 2.5 h of MA monophase alloys containing bcc Fe(Al, Ge) solid solutions Fe(Al, Si) are formed. Fe(Al, Si) is partially ordered B2 type and Fe(Al, Ge) is completely disordered. DSC curves of synthesized alloys displayed the presence of exothermal peaks caused by phase transformation. The metastable Fe(Al, Si) solid solution transformed into FeAl 1-x Si x (B2) and FeSi 1-x Al x (B20) equilibrium phases. The Fe(Al, Ge) solid solution transformed into equilibrium phases through intermediate stage of Fe 6 Ge 3 Al 2 metastable phase formation. The Fe 6 Ge 3 Al 2 phase dissociated into three equilibrium phases: FeAl 1-x Ge x (B2), χ-Fe 6 Ge 5 and η-Fe 13 (Ge, Al) 8 (B8 2 ). The structure of Fe 6 Ge 3 Al 2 was calculated by Rietveld method, the distribution of Al and Ge in the elementary cell and its parameters were calculated. Moessbauer study showed that Fe(Al, Si) and Fe(Al, Ge) solid solutions are paramagnetic. In the equilibrium state the alloy containing Si is also paramagnetic while the alloy with Ge showed ferromagnetic properties

Influence of chemical heterogeneity of solid solutions on brittleness in chromium steels

International Nuclear Information System (INIS)

Madyanov, S.A.; Sedov, V.K.; Apaev, B.A.

1985-01-01

The role of chemical heterogeneity of solid solutions in formation of mechanical properties of Kh09, Kh15, Kh20, Kh19N2G5T chromium steels has been investigated. It is established that besides the known regioA of chemical heterogeneity in the vicinity of 475 deg C exists a high-temperature region (1000-1050 deg C), where maximum heteroge=- neity of chromium distribution in solid solution, is observed. Both types of chemical heterogeneity cause essential hardening of alloys, which becomes apparent in abrupt change of capability to microplastic deformation The mechanism of occurrence of the given temper brittleness consists in carbon diffusion into microvolunes enriched in carbide-forming elements

Cementation of the solid radioactive waste with polymer-cement solutions using the method of impregnation

International Nuclear Information System (INIS)

Gorbunova, O.

2015-01-01

Cementation of solid radioactive waste (SRW), i.e. inclusion of solid radioactive waste into cement matrix without cavities - is one of the main technological processes used for conditioning low and intermediate level radioactive waste. At FSUE 'Radon' the industrialized method of impregnation has been developed and since 2003 has been using for cementation of solid radioactive waste. The technology is that the polymer-cement solution, having high penetrating properties, is supplied under pressure through a tube to the bottom of the container in which solid radioactive waste has preliminarily been placed. The polymer-cement solution is evenly moving upwards through the channels between the particles of solid radioactive waste, fills the voids in the bulk volume of the waste and hardens, forming a cement compound, the amount of which is equal to the original volume. The aim of the investigation was a selection of a cement solution suitable for SRW impregnation (including fine particles) without solution depletion and bottom layers stuffing. It has been chosen a polymer: PHMG (polyhexamethylene-guanidine), which is a stabilizing and water-retaining component of the cement solution. The experiments confirm that the polymer increases the permeability of the cement solution by a 2-2.5 factor, the viscosity by a 1.2 factor, the stability of the consistency by a 1.5-1.7 factor, and extends the operating range of the W/C ratio to 0.5-1.1. So it is possible to penetrate a volume of SRW bigger by a 1.5-2.0 factor. It has been proved, that PHMG polymer increases strength and frost-resistance of the final compounds by a 1.8-2.7 factor, and contributes to fast strength development at the beginning of hardening and it decreases Cs-137 leashing rate by a 1.5-2 factor

Crystal chemical analysis of formation of solid solutions on the basis of compounds with garnet structure

International Nuclear Information System (INIS)

Kuz'micheva, G.M.; Kozlikin, S.N.

1989-01-01

Crystal chemical formulas permitting to evaluate the character of changes in interatomic distances during isomorphous substitution and, hence, the probability of formation of internal solid solutions and successive isomorphous substitution, are presented. The possibility of formation of introduction solid solutions is considered, using as an example Sc, Y oxides, rare earths with garnet structure

Photocatalytic hydrogen production using visible-light-responsive Ta{sub 3}N{sub 5} photocatalyst supported on monodisperse spherical SiO{sub 2} particulates

Energy Technology Data Exchange (ETDEWEB)

Liu, Xiaoming [Division of Physical Sciences and Engineering, KAUST Catalysis Center (KCC), King Abdullah University of Science and Technology (KAUST), 4700 KAUST, Thuwal 23955-6900 (Saudi Arabia); School of Environment and Chemical Engineering, Nanchang Hangkong University, Nanchang 330063 (China); Zhao, Lan [Advanced Nanofabrication, Imaging and Characterization Core Lab, King Abdullah University of Science and Technology (KAUST), 4700 KAUST, Thuwal 23955-6900 (Saudi Arabia); Domen, Kazunari [Department of Chemical System Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan); Takanabe, Kazuhiro, E-mail: kazuhiro.takanabe@kaust.edu.sa [Division of Physical Sciences and Engineering, KAUST Catalysis Center (KCC), King Abdullah University of Science and Technology (KAUST), 4700 KAUST, Thuwal 23955-6900 (Saudi Arabia)

2014-01-01

Graphical abstract: A simple and effective sol–gel process followed by nitridation in an NH{sub 3} flow has been developed to deposit Ta{sub 3}N{sub 5} semiconductor photocatalyst layers onto monodisperse spherical SiO{sub 2} particles. The obtained Ta{sub 3}N{sub 5}/SiO{sub 2} particles maintain an original spherical morphology of SiO{sub 2} and a sub-micrometer size with a narrow size distribution and without aggregation. The presence of SiO{sub 2} support shows at least no detrimental effects on photocatalytic activity, but tunes the secondary particle size to control dispersibility of the photocatalyst in the solution. - Highlights: • Fine nanoparticles of Ta{sub 3}N{sub 5} were immobilized on the surfaces of SiO{sub 2} giving SiO{sub 2}@Ta{sub 3}N{sub 5} core–shell spheres successfully produced H{sub 2} from methanol solution under visible light. • The presence of support (SiO{sub 2}) ensures the dispersion of the particulate in solution maintaining high photocatalytic activity of Ta{sub 3}N{sub 5}. • The obtained supported photocatalyst gives uniform size distribution and control the degree of dispersibility in the solution, which may control nature of light absorption and reflection of the photoreactor. - Abstract: Fine nanoparticles of Ta{sub 3}N{sub 5} (10–20 nm) were synthesized on the surfaces of SiO{sub 2} spheres with a diameter of ∼550 nm. A sol–gel method was used to modify the surface of SiO{sub 2} with Ta{sub 2}O{sub 5} from TaCl{sub 5} dissolved in ethanol in the presence of citric acid and polyethylene glycol. The resulting oxide composites were treated in an NH{sub 3} flow at 1123 K to form core–shell structured Ta{sub 3}N{sub 5}/SiO{sub 2} sub-microspheres. The obtained samples were characterized using powder X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), field emission scanning electron microscopy (FESEM), energy-dispersive X-ray spectra (EDX), transmission electron microscopy (TEM), and

Thermodynamics of CoAl2O4-CoGa2O4 solid solutions

International Nuclear Information System (INIS)

Lilova, Kristina I.; Navrotsky, Alexandra; Melot, Brent C.; Seshadri, Ram

2010-01-01

CoAl 2 O 4 , CoGa 2 O 4 , and their solid solution Co(Ga z Al 1-z ) 2 O 4 have been studied using high temperature oxide melt solution calorimetry in molten 2PbO.B 2 O 3 at 973 K. There is an approximately linear correlation between lattice parameters, enthalpy of formation from oxides, and the Ga content. The experimental enthalpy of mixing is zero within experimental error. The cation distribution parameters are calculated using the O'Neill and Navrotsky thermodynamic model. The enthalpies of mixing calculated from these parameters are small and consistent with the calorimetric data. The entropies of mixing are calculated from site occupancies and compared to those for a random mixture of Ga and Al ions on octahedral site with all Co tetrahedral and for a completely random mixture of all cations on both sites. Despite a zero heat of mixing, the solid solution is not ideal in that activities do not obey Raoult's Law because of the more complex entropy of mixing. - Graphical abstract: Measured enthalpies of mixing of CoAl 2 O 4 -CoGa 2 O 4 solid solutions are close to zero but entropies of mixing reflect the complex cation distribution, so the system is not an ideal solution.

Investigation of samarium solubility in the magnesium based solid solution

International Nuclear Information System (INIS)

Rokhlin, L.L.; Padezhnova, E.M.; Guzej, L.S.

1976-01-01

Electric resistance measurements and microscopic analysis were used to investigate the solubility of samarium in a magnesium-based solid solution. The constitutional diagram Mg-Sm on the magnesium side is of an eutectic type with the temperature of the eutectic transformation of 542 deg C. Samarium is partly soluble in solid magnesium, the less so, the lower is the temperature. The maximum solubility of samarium in magnesium (at the eutectic transformation point) is 5.8 % by mass (0.99 at. %). At 200 deg C, the solubility of samarium in magnesium is 0.4 % by mass (0.063 at. %)

Cefuroxime axetil solid dispersions prepared using solution enhanced dispersion by supercritical fluids.

Science.gov (United States)

Jun, Seoung Wook; Kim, Min-Soo; Jo, Guk Hyun; Lee, Sibeum; Woo, Jong Soo; Park, Jeong-Sook; Hwang, Sung-Joo

2005-12-01

Cefuroxime axetil (CA) solid dispersions with HPMC 2910/PVP K-30 were prepared using solution enhanced dispersion by supercritical fluids (SEDS) in an effort to increase the dissolution rate of poorly water-soluble drugs. Their physicochemical properties in solid state were characterized by differential scanning calorimeter (DSC), powder X-ray diffraction (PXRD), Fourier transform infrared spectrometry (FT-IR) and scanning electron microscopy. No endothermic and characteristic diffraction peaks corresponding to CA were observed for the solid dispersions in DSC and PXRD. FTIR analysis demonstrated the presence of intermolecular hydrogen bonds between CA and HPMC 2910/PVP K-30 in solid dispersions, resulting in the formation of amorphous or non-crystalline CA. Dissolution studies indicated that the dissolution rates were remarkably increased in solid dispersions compared with those in the physical mixture and drug alone. In conclusion, an amorphous or non-crystalline CA solid dispersion prepared using SEDS could be very useful for the formulation of solid dosage forms.

Influence of hydrostatic pressure on BCC-lattice parameter in molybdenum, niobium and vanadium with rhenium solid solutions

International Nuclear Information System (INIS)

Smol'yaninova, Eh.A.; Stribuk, E.K.; Tyavlovskij, V.I.

1987-01-01

Data on the effect of 1.8GPa hydrostatic pressure on bcc lattice parameters of solid solutions in Mo-Re, Nb-Re, V-re systems are presented. It is shown that after the application hydrostatic pressure a decrease in bcc lattice parameter is observed and the greatest change in the lattice parameter takes place in bcc of solid solutions in the Nb-Re system (DELTA A ∼ 0.0035 nm). Analysis of the experimental data obtained on the basis of calculations made for packing density change in the above-mentioned solid solutions under the pressure is carried out

Photoluminescent properties of Pr3+ doped YTiAO6 (A= Nb&Ta) euxenite compounds

Science.gov (United States)

Venugopal, Meenu; Kumar, H. Padma

2018-04-01

Pr3+ doped YTiAO6 (A = Nb and Ta) compounds were prepared by conventional solid state ceramic route. X - ray diffraction studies of the samples confirmed the euxenite orthorhombic phase formation. Effect of Pr3+ doping on the optical and luminescence properties of YTiAO6 (A = Nb and Ta) were studied. The strong absorption in the UV region are due to the absorption by the host YTiAO6 (A = Nb and Ta) and all other peaks can be attributed to that of Pr3+. Host emission peaks are observed around 485 nm and 460 nm in all samples. The red emission observed at 614 nm in the doped samples corresponds to the 1D2 to 3H4 transition of Pr3+ ion. CIE colour coordinates and chromaticity values were also discussed.

TA-2 Water Boiler Reactor Decommissioning Project

International Nuclear Information System (INIS)

Durbin, M.E.; Montoya, G.M.

1991-06-01

This final report addresses the Phase 2 decommissioning of the Water Boiler Reactor, biological shield, other components within the biological shield, and piping pits in the floor of the reactor building. External structures and underground piping associated with the gaseous effluent (stack) line from Technical Area 2 (TA-2) Water Boiler Reactor were removed in 1985--1986 as Phase 1 of reactor decommissioning. The cost of Phase 2 was approximately $623K. The decommissioning operation produced 173 m 3 of low-level solid radioactive waste and 35 m 3 of mixed waste. 15 refs., 25 figs., 3 tabs

Transport properties of dilute α -Fe (X ) solid solutions (X = C, N, O)

Science.gov (United States)

Schuler, Thomas; Nastar, Maylise

2016-06-01

We extend the self-consistent mean field (SCMF) method to the calculation of the Onsager matrix of Fe-based interstitial solid solutions. Both interstitial jumps and substitutional atom-vacancy exchanges are accounted for. A general procedure is introduced to split the Onsager matrix of a dilute solid solution into intrinsic cluster Onsager matrices, and extract from them flux-coupling ratios, mobilities, and association-dissociation rates for each cluster. The formalism is applied to vacancy-interstitial solute pairs in α -Fe (V X pairs, X = C, N, O), with ab initio based thermodynamic and kinetic parameters. Convergence of the cluster mobility contribution gives a controlled estimation of the cluster definition distance, taking into account both its thermodynamic and kinetic properties. Then, the flux-coupling behavior of each V X pair is discussed, and qualitative understanding is achieved from the comparison between various contributions to the Onsager matrix. Also, the effect of low-activation energy second-nearest-neighbor interstitial solute jumps around a vacancy on these results is addressed.

Regularities in electroconductivity and thermo-emf in systems of binary continuous solid solutions of metals

International Nuclear Information System (INIS)

Vedernikov, M.V.; Dvunitkin, V.G.; Zhumagulov, A.

1978-01-01

Given are new experimental data about specific electric resistance of 10 systems of binary continuous solid metal solutions at the temperatures of 293 and 4.2 K: Cr-V, Mo-Nb, Mo-V, Cr-Mo, Nb-V, Ti-Zr, Hf-Zr, Hf-Ti, Sc-Zr, Sc-Hf. For the first time a comparative analysis of all available data on the resistance dependence on the composition of systems of continuous solid solutions, which covers 21 systems, is carried out. The ''resistance-composition'' dependence for such alloy systems is found to be of two types. The dependence of the first type is characteristic of the systems, formed by two isoelectronic metals, the dependence of the second type - for the systems, formed by non-isoelectronic metals. Thermo-emf of each type of solid solutions differently depends on their compositions

First-Principles Modeling of ThO2 Solid Solutions with Oxides of Trivalent Cations

Science.gov (United States)

Alexandrov, Vitaly; Asta, Mark; Gronbech-Jensen, Niels

2010-03-01

Solid solutions formed by doping ThO2 with oxides of trivalent cations, such as Y2O3 and La2O3, are suitable for solid electrolyte applications, similar to doped zirconia and ceria. ThO2 has also been gaining much attention as an alternative to UO2 in nuclear energy applications, the aforementioned trivalent cations being important fission products. In both cases the mixing energetics and short-range ordering/clustering are key to understanding structural and transport properties. Using first-principles atomistic calculations, we address intra- and intersublattice interactions for both cation and anion sublattices in ThO2-based fluorite-type solid solutions and compare the results with similar modeling studies for related trivalent-doped zirconia systems.

A Ta/W mixed addenda heteropolyacid with excellent acid catalytic activity and proton-conducting property

Energy Technology Data Exchange (ETDEWEB)

Li, Shujun; Peng, Qingpo [School of Chemistry and Chemical Engineering, Henan Key Laboratory of Boron Chemistry and Advanced Energy Materials, Henan Normal University, Xinxiang, Henan 453007 (China); Chen, Xuenian, E-mail: xnchen@htu.edu.cn [School of Chemistry and Chemical Engineering, Henan Key Laboratory of Boron Chemistry and Advanced Energy Materials, Henan Normal University, Xinxiang, Henan 453007 (China); Wang, Ruoya; Zhai, Jianxin; Hu, Weihua [School of Chemistry and Chemical Engineering, Henan Key Laboratory of Boron Chemistry and Advanced Energy Materials, Henan Normal University, Xinxiang, Henan 453007 (China); Ma, Fengji, E-mail: fengji.ma@yahoo.com [College of Chemistry and Chemical Engineering, Anyang Normal University, Anyang, Henan 453000 (China); Zhang, Jie, E-mail: jie.zhang@htu.edu.cn [School of Chemistry and Chemical Engineering, Henan Key Laboratory of Boron Chemistry and Advanced Energy Materials, Henan Normal University, Xinxiang, Henan 453007 (China); Liu, Shuxia [Key Laboratory of Polyoxometalates Science of Ministry of Education, College of Chemistry, Northeast Normal University, Changchun City, Jilin 130024 (China)

2016-11-15

A new HPAs H{sub 20}[P{sub 8}W{sub 60}Ta{sub 12}(H{sub 2}O){sub 4}(OH){sub 8}O{sub 236}]·125H{sub 2}O (H-1) which comprises a Ta/W mixed addenda heteropolyanion, 20 protons, and 125 crystalline water molecules has been prepared through ion-exchange method. The structure and properties of H-1 have been explored in detail. AC impedance measurements indicate that H-1 is a good solid state proton conducting material at room temperature with a conductivity value of 7.2×10{sup −3} S cm{sup −1} (25 °C, 30% RH). Cyclic voltammograms of H-1 indicate the electrocatalytic activity towards the reduction of nitrite. Hammett acidity constant H{sub 0} of H-1 in CH{sub 3}CN is −2.91, which is the strongest among the present known HPAs. Relatively, H-1 exhibits excellent catalytic activities toward acetal reaction. - Highlights: • A Ta/W mixed addenda Heteropolyacid (H-1) was isolated. • Hammett acidity constant H{sub 0} of H-1 is the strongest among the present known HPAs. • H-1 exhibits excellent catalytic activities toward acetal reaction. • H-1 is a good solid state proton conducting material at room temperature.

Micro-electrochemical characterization of galvanic corrosion of TA2/316L composite plate

Energy Technology Data Exchange (ETDEWEB)

Cheng, X.; Li, X.; Dong, C.; Xiao, K. [Corrosion and Protection Center, University of Science and Technology Beijing (China)

2011-12-15

Galvanic corrosion behavior of TA2/316L composite plate was investigated in the solution of 3.5 wt% NaCl by galvanic potential monitoring, scanning localized electrochemical impedance spectroscopy (LEIS) and scanning vibrating micro-electrode (SVME) techniques. The results demonstrated that the pitting corrosion resistance of 316L for the galvanic combination sample is lower, and the coupled current density is higher than for the single 316L sample. It indicates that the galvanic action works on the corrosion behavior of the TA2 titanium alloy/316L stainless steel galvanic combination in sodium chloride solution. The galvanic effect width was determined as 1500 {mu}m. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Phase coexistence in ferroelectric solid solutions: Formation of monoclinic phase with enhanced piezoelectricity

Directory of Open Access Journals (Sweden)

Xiaoyan Lu

2016-10-01

Full Text Available Phase morphology and corresponding piezoelectricity in ferroelectric solid solutions were studied by using a phenomenological theory with the consideration of phase coexistence. Results have shown that phases with similar energy potentials can coexist, thus induce interfacial stresses which lead to the formation of adaptive monoclinic phases. A new tetragonal-like monoclinic to rhombohedral-like monoclinic phase transition was predicted in a shear stress state. Enhanced piezoelectricity can be achieved by manipulating the stress state close to a critical stress field. Phase coexistence is universal in ferroelectric solid solutions and may provide a way to optimize ultra-fine structures and proper stress states to achieve ultrahigh piezoelectricity.

Ta thickness-dependent perpendicular magnetic anisotropy features in Ta/CoFeB/MgO/W free layer stacks

Energy Technology Data Exchange (ETDEWEB)

Yang, SeungMo; Lee, JaBin; An, GwangGuk [Novel Functional Materials and Devices Lab, The Research Institute for Natural Science, Department of Physics, Hanyang University, Seoul 133-791 (Korea, Republic of); Kim, JaeHong [Division of Nano-Scale Semiconductor Engineering, Hanyang University, Seoul 133-791 (Korea, Republic of); Chung, WooSeong [Nano Quantum Electronics Lab, Department of Electronics and Computer Engineering, Hanyang University, Seoul 133-791 (Korea, Republic of); Hong, JinPyo, E-mail: jphong@hanyang.ac.kr [Novel Functional Materials and Devices Lab, The Research Institute for Natural Science, Department of Physics, Hanyang University, Seoul 133-791 (Korea, Republic of); Division of Nano-Scale Semiconductor Engineering, Hanyang University, Seoul 133-791 (Korea, Republic of)

2015-07-31

We describe Ta underlayer thickness influence on thermal stability of perpendicular magnetic anisotropy in Ta/CoFeB/MgO/W stacks. It is believed that thermal stability based on Ta underlay is associated with thermally-activated Ta atom diffusion during annealing. The difference in Ta thickness-dependent diffusion behaviors was confirmed with X-ray photoelectron spectroscopy analysis. Along with a feasible Ta thickness model, our observations suggest that an appropriate seed layer choice is needed for high temperature annealing stability, a critical issue in the memory industry. - Highlights: • We observed changes in the diffusion behavior with regard to Ta seed layer thickness. • It was observed that a thinner Ta seed layer induced more annealing-stable features. • However, ultra-thin (0.75 nm) Ta shows unstable characteristics about the annealing process. • It was possibly due to a rugged interface of the Ta layer by the island growth process.

Radiation induced homogeneous precipitation in undersaturated solid-solutions

International Nuclear Information System (INIS)

Cauvin, R.; Martin, G.

1979-01-01

A TEM study of 1 MeV electron irradiated Al 1.9 at% Zn solid solution shows that Zn precipitates form, under irradiation at temperatures well above the Zn solvus temperature outside irradiation. The corresponding upward shift of this temperature is dose rate dependent. This new example of radiation-induced precipitation exhibits unexpected features, which are not accounted for by the available models: (1) no correlation exists between the location of the precipitates and that of the point defects sinks; (2) the precipitation of incoherent β-phase with atomic volume smaller than that of the matrix, and of coherent G.P. zones both occurs; (3) the size of the coherent β precipitates saturates at large dose. A general mechanism for solute concentration fluctuations under irradiation is proposed which qualitatively accounts for the formation of coherent G.P. zones and for the nucleation of solute clusters with more complex structures. A reanalysis of Russell's model (1977) for the growth of incoherent precipitates shows that it may qualitatively account for the observed behavior of the β phase precipitates. (Auth.)

Uranothorite solid solutions: From synthesis to dissolution

International Nuclear Information System (INIS)

Costin, Dan-Tiberiu

2012-01-01

USiO 4 coffinite appears as one of the potential phases formed in the back-end of the alteration of spent fuel, in reducing storage conditions. A study aiming to assess the thermodynamic data associated with coffinite through an approach based on the preparation of Th 1-x U x SiO 4 uranothorite solid solutions was then developed during this work. First, the preparation of uranothorite samples was successfully undertaken in hydrothermal conditions. However, the poly-phased samples systematically formed for x ≥ 0,2 underlined the kinetic hindering linked with the preparation of uranium-enriched samples, including coffinite end-member. Nevertheless, the characterization of the various samples led to confirm the formation of an ideal solid solution and allowed the constitution of a spectroscopic database. The purification of the samples was then performed by the means of different protocols based on physical (dispersion-centrifugation) or chemical (selective dissolution of secondary phases) methods. This latter led to a complete of the impurities (Th 1-y U y O 2 mixed oxide and amorphous silica) through successive washing steps in acid then basic media. Finally, dissolution experiments were undertaken on uranothorite samples (0 ≤ xexp. ≤ 0,5) and allowed pointing out the influence of composition, pH and temperature on the normalized dissolution rate of the compounds. Also, the associated thermodynamic data, such as activation energy, indicate that the reaction is controlled by surface reactions. Once the equilibrium is reached, the analogous solubility constants were determined for each composition studied, then allowing the extrapolation to coffinite value. It was then finally possible to conclude on the inversion of coffinitisation reaction with temperature. (author) [fr

Lattice parameters and electrical resistivity of Ceria-Yttria solid solutions

International Nuclear Information System (INIS)

Rey, Jose Fernando Queiruga

2002-01-01

Ce0 2 :u mol% Y 2 O 3 (u=0, 4, 6, 8, 10 and 12) solid solutions were prepared by the conventional powder mixture technique. The main purposes of this work are: the study of the dependence of the lattice parameter of the Ceria cubic phase on the Yttria content, comparing the experimental data with data calculated according to the existing theoretical models; to determine the dependence of the ionic conductivity on the Yttria content; and to study the stability of the cubic fluorite phase after extensive thermal treatments (aging) of the Ceria-Yttria specimens. The results show that the lattice parameter of the solid solutions follows the Vegard's law and can be described by the two reported theoretical models. The 8 mol% Yttria-doped Ceria was found to present the largest value of ionic conductivity. Preliminary results show that a large decrease is found for only 1 h aging at 700 deg C and that the ionic conductivity decreases for ceramic specimens aged for times up to 10 h. (author)

Effect of ionizing radiation on solid and water solution Penicillin G

International Nuclear Information System (INIS)

Ben Salem, I.; Amine, Kh.M.; Mabrouk, Y.; Saidi, M.; Mezni, M; Boulila, N; Hafez, E

2015-01-01

Penicillin G is a conventional antibiotic used for treatment of different kinds of infectious diseases. Due to its huge quantity production and resistance to biodegradability, this molecule has been a serious concern for clinicians and environmentalists. In this study, the effect of ionizing radiation on the penicillin G powder and in water solution was investigated. The Nuclear Magnetic Resonance (NMR) and fourier transform infrared spectroscopy (FTIR) analysis showed that the ionizing radiation at 50 kGy has no effect on the integrity of solid Penicillin G. The anti-microbial assays revealed that the activity of irradiated solid Penicillin G did not reduce and was stable after storage for one month. Ionizing radiation at 50 kGy led to degradation of water solution Penicillin G. The complete disappear of peaks observed in the control sample confirmed the broken of β-lactam ring, the decarboxylation and cleavage of the thiazolidine ring. The product issued from the irradiation of Penicillin G, was completely removed by the bacterium Cupriavidus.metallidurans. Thus, the ionizing irradiation followed by a biological treatment was very effective method for removing of Penicillin G antibiotics residuals from water solution.

Thorium-d-metals compounds and solid solutions

International Nuclear Information System (INIS)

Chachkhiani, Z.B.; Chechernikov, V.I.; Chachkhiani, L.G.

1986-01-01

Thorium compounds with Fe, Co, Ni dependence of their magnetic properties on temperature, pressure and concentration of the second element are considered. Anomalous magnetic behaviour of alloys in the Th-Fe system is noted. Special attention is paid to compounds with CaCu 5 type hexagonal structure and their solid solutions. Th-Co-Ni specimens containing up to 25% Ni are ferromagnetics and the rest are paramagnetics. Specimens with 60% cobalt content do not display ferromagnetic properties up to 4.2 K. Hydrides of Th 7 M 3 H 30 type (M - Fe, Co, Ni) are also considered. Highly hydrogenized specimens (under high pressure) appear to be stronger ferromagnetics

Oxidation behaviors of the TiNi/Ti{sub 2}Ni matrix composite coatings with different contents of TaC addition fabricated on Ti6Al4V by laser cladding

Energy Technology Data Exchange (ETDEWEB)

Lv, Y.H.; Li, J., E-mail: jacob_lijun@sina.com; Tao, Y.F.; Hu, L.F.

2016-09-15

The TiNi/Ti{sub 2}Ni matrix composite coatings were fabricated on Ti6Al4V by laser cladding the mixtures of NiCrBSi and different contents of TaC (0 wt%, 5 wt%, 15 wt%, 30 wt% and 40 wt%). Scanning electron microscopy (SEM), energy dispersive spectrometry (EDS) and X-ray diffractometry (XRD) were used to examine the microstructures of the coatings. Oxidation behaviors of these coatings were also investigated at 800 °C for 50 h in air. The results showed that the coating without TaC addition was mainly composed of TiNi/Ti{sub 2}Ni as the matrix and TiC/TiB{sub 2}/TiB as the reinforcement. TaC was dissolved completely and precipitated again during laser cladding. Ta and C from the added TaC mainly existed as the solute atoms in the solid solutions of TiC, TiB{sub 2} and TiB in the coatings with TaC addition. The addition of TaC refined the microstructures of the coatings. In the oxidation test, the oxidation process was divided into the violent oxidation stage and the slow oxidation stage. The oxidation rates of the substrate and the coatings with different contents of TaC (0, 5, 15, 30, 40 wt%) were 0.644, 0.287, 0.173, 0.161, 0.223 and 0.072 mg cm{sup −2} h{sup −1} in the first stage, 0.884, 0.215, 0.136, 0.126, 0.108 and 0.040 mg{sup 2} cm{sup −4} h{sup −1} in the second stage, respectively. The weight gain of these samples were 6.70, 3.30, 2.86, 2.64, 2.41 and 1.69 mg cm{sup −2}, respectively after the whole oxidation test. The oxidation film formed on the surface of the coating without TaC addition mainly consisted of TiO{sub 2}, Al{sub 2}O{sub 3}, and a small amount of NiO, Cr{sub 2}O{sub 3} and SiO{sub 2}. Moreover, Ta{sub 2}O{sub 5} was also formed on the surfaces of these coatings with different contents of TaC. The oxides formed during the oxidation test were supposed to be responsible for the improvement in oxidation resistance of these coatings. - Highlights: • The composite coatings with TaC addition were fabricated on Ti6Al4V by laser

phase formation and thermal stability of fcc (fluorite) Ce1-xTbxO2-d solid solutions

NARCIS (Netherlands)

de Vries, Karel Jan; de Vries, K.J.; Meng, G.Y.

1998-01-01

Ce1−xTbxO2−δ solid solutions (x = 0.3, 0.4, and 0.5) were synthesized by a coprecipitation method, using ammonia. The formation process of the solid solutions was studied as a function of temperature up to 1200°C by X-ray diffraction, thermogravimetric analysis, and differential scanning

Effect of Heat Treatment on the Lithium Ion Conduction of the LiBH4–LiI Solid Solution

DEFF Research Database (Denmark)

Sveinbjörnsson, Dadi Þorsteinn; Mýrdal, Jón Steinar Garðarsson; Blanchard, Didier

2013-01-01

The LiBH4–LiI solid solution is a good Li+ conductor and a promising crystalline electrolyte for all-solid-state lithium based batteries. The focus of the present work is on the effect of heat treatment on the Li+ conduction. Solid solutions with a LiI content of 6.25–50% were synthesized by high...

Mesoporous Nb and Ta Oxides: Synthesis, Characterization and Applications in Heterogeneous Acid Catalysis

Science.gov (United States)

Rao, Yuxiang Tony

In this work, a series of mesoporous Niobium and Tantalum oxides with different pore sizes (C6, C12, C18 , ranging from 12A to 30 A) were synthesized using the ligand-assisted templating approach and investigated for their activities in a wide range of catalytic applications including benzylation, alkylation and isomerization. The as-synthesized mesoporous materials were characterized by nitrogen adsorption, powder X-ray diffraction, transmission electron microscopy (TEM), scanning electron microscopy (SEM), thermo gravimetric analysis (TGA), differential scanning calorimetry (DSC), and solid-state Nuclear magnetic resonance (NMR) techniques. In order to probe into the structural and coordination geometry of mesoporous Nb oxide and in efforts to make meaningful comparisons of mesoporous niobia prepared by the amine-templating method with the corresponding bulk sol-gel prepared Nb2O5 phase, 17O magic-angle-spinning solid-state NMR studies were conducted. The results showed a very high local order in the mesoporous sample. The oxygen atoms are coordinated only as ONb 2 in contrast with bulk phases in which the oxygen atoms are always present in a mixture of ONb2 and ONb3 coordination environments. To enhance their surface acidities and thus improve their performance as solid acid catalysts in the acid-catalyzed reactions mentioned above, pure mesoporous Nb and Ta oxides were further treated with 1M sulfuric acid or phosphoric acid. Their surface acidities before and after acid treatment were measured by Fourier transform infraRed (FT IR), amine titration and temperature programmed desorption of ammonia (NH3-TPD). Results obtained in this study showed that sulfated mesoporous Nb and Ta oxides materials possess relative high surface areas (up to 612 m 2/g) and amorphous wormhole structure. These mesoporous structures are thus quite stable to acid treatment. It was also found that Bronsted (1540 cm-1) and Lewis (1450 cm-1) acid sites coexist in a roughly 50:50 mixture

A new compound - Ta3Pb : manufacture, structure and properties

International Nuclear Information System (INIS)

Tuleushev, A.Zh.; Tuleushev, Yu.Zh.; Volodin, V.N.; Zhakanbaev, E.A.

2003-01-01

For the first time by the magnetron sputtering and tantalum deposition on substrates from molybdenum and tungsten the covers presenting the lead solution in cubic α-tantalum (up to 2.5 at % Pb) were obtained. The lead dissolution is accompanying by the Ta lattice parameter increasing from 0.3314 to 0.3321 nm in the lead concentration range from 0.2 to 2.5 at. % Pb. The cryogenic examinations of the synthesised covers conducted by four-probes electric resistance method show the absence the superconductivity up to the 4.2 K temperature. So, for the first time the Ta 2 Pb compound with A15 structure was synthesised and data for its identification were determined

EUSO-TA prototype telescope

Energy Technology Data Exchange (ETDEWEB)

Bisconti, Francesca, E-mail: francesca.bisconti@kit.edu

2016-07-11

EUSO-TA is one of the prototypes developed for the JEM-EUSO project, a space-based large field-of-view telescope to observe the fluorescence light emitted by cosmic ray air showers in the atmosphere. EUSO-TA is a ground-based prototype located at the Telescope Array (TA) site in Utah, USA, where an Electron Light Source and a Central Laser Facility are installed. The purpose of the EUSO-TA project is to calibrate the prototype with the TA fluorescence detector in presence of well-known light sources and cosmic ray air showers. In 2015, the detector started the first measurements and tests using the mentioned light sources have been performed successfully. A first cosmic ray candidate has been observed, as well as stars of different magnitude and color index. Since Silicon Photo-Multipliers (SiPMs) are very promising for fluorescence telescopes of next generation, they are under consideration for the realization of a new prototype of EUSO Photo Detector Module (PDM). The response of this sensor type is under investigation through simulations and laboratory experimentation.

EUSO-TA prototype telescope

Science.gov (United States)

Bisconti, Francesca; JEM-EUSO Collaboration

2016-07-01

EUSO-TA is one of the prototypes developed for the JEM-EUSO project, a space-based large field-of-view telescope to observe the fluorescence light emitted by cosmic ray air showers in the atmosphere. EUSO-TA is a ground-based prototype located at the Telescope Array (TA) site in Utah, USA, where an Electron Light Source and a Central Laser Facility are installed. The purpose of the EUSO-TA project is to calibrate the prototype with the TA fluorescence detector in presence of well-known light sources and cosmic ray air showers. In 2015, the detector started the first measurements and tests using the mentioned light sources have been performed successfully. A first cosmic ray candidate has been observed, as well as stars of different magnitude and color index. Since Silicon Photo-Multipliers (SiPMs) are very promising for fluorescence telescopes of next generation, they are under consideration for the realization of a new prototype of EUSO Photo Detector Module (PDM). The response of this sensor type is under investigation through simulations and laboratory experimentation.

Computationally efficient and quantitatively accurate multiscale simulation of solid-solution strengthening by ab initio calculation

Czech Academy of Sciences Publication Activity Database

Ma, D.; Friák, Martin; von Pezold, J.; Raabe, D.; Neugebauer, J.

2015-01-01

Roč. 85, FEB (2015), s. 53-66 ISSN 1359-6454 Institutional support: RVO:68081723 Keywords : Solid-solution strengthening * DFT * Peierls–Nabarro model * Ab initio * Al alloys Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 5.058, year: 2015

Local structure of Th1-xMO2 solid solutions (M = U, Pu)

International Nuclear Information System (INIS)

Hubert, S.; Heisbourg, G.; Moisy, Ph.; Dacheux, N.; Purans, J.E.

2004-01-01

X-ray absorption spectroscopy of Th 1-x U x O 2 and Th 1-x Pu x O 2 solid solutions was carried out on the Th, U L 3 -edges, and Pu L 3 edge to study the local structure environment of actinide mixed oxides. Various compositions of Th 1-x M x O 2 solid solutions have been prepared through the coprecipitation of the mixed oxalates from chloride or nitrate solutions: x = 0.11, 0.24, 0.37, 0.53, 0.67, 0.81, 0.91 and 1 for Th 1-x U x O 2 , and x = 0.13, 0.32, 0.66 and 1 for Th 1-x Pu x O 2 . They were characterized using X- ray diffraction. XRD analysis allowed to confirm that the variation of the lattice parameters varies linearly with the composition between the end members, suggesting that the atomic volume was conserved regardless of the details of the local distortions of the lattice, following the Vegard's law. Extending X-ray absorption fine structure (EXAFS) provides a direct characterization of the local distortions present in solid solutions. We found that opposite to the lattice parameter obtained by XRD, the interatomic distances given by EXAFS do not follow completely to neither the Vegard's law nor the virtual crystal approximation (VCA). However, the average lattice parameter obtained from EXAFS data for the first and the second shells agrees well with the one calculated from XRD data. (authors)

Solid solutions of platinum(II) and palladium(II) oxalato-complex salt as precursors of nanoalloys

Science.gov (United States)

Zadesenets, A. V.; Asanova, T. I.; Vikulova, E. S.; Filatov, E. Yu.; Plyusnin, P. E.; Baidina, I. A.; Asanov, I. P.; Korenev, S. V.

2013-03-01

A solid solution of platinum (II) and palladium (II) oxalato-complex salt, (NH4)2[Pt0.5Pd0.5(C2O4)2]·2H2O, has been synthesized and studied as a precursor for preparing bimetallic PtPd nanoparticles through its thermal decomposition. The smallest homogenous bimetallic PtPd nanoparticles were found to form in hydrogen and helium atmospheres. The annealing temperature and time have low effect on the bimetallic particles size. Comparative analysis of structural and thermal properties of the solid solution and individual Pt, Pd oxalato-complex salts was performed to investigate a mechanism of thermal decomposition of (NH4)2[Pt0.5Pd0.5(C2O4)2]·2H2O. Based on in situ X-ray photoemission spectroscopy investigation it was proposed a mechanism of formation of bimetallic PtPd nanoparticles from the solid-solution oxalato-complex salt during thermal decomposition.

The origin of ultrahigh piezoelectricity in relaxor-ferroelectric solid solution crystals

Energy Technology Data Exchange (ETDEWEB)

Li, Fei; Zhang, Shujun; Yang, Tiannan; Xu, Zhuo; Zhang, Nan; Liu, Gang; Wang, Jianjun; Wang, Jianli; Cheng, Zhenxiang; Ye, Zuo-Guang; Luo, Jun; Shrout, Thomas R.; Chen, Long-Qing (Penn); (Xian Jiaotong); (CIW); (Simon); (TRS Techn); (Wollongong)

2016-12-19

The discovery of ultrahigh piezoelectricity in relaxor-ferroelectric solid solution single crystals is a breakthrough in ferroelectric materials. A key signature of relaxor-ferroelectric solid solutions is the existence of polar nanoregions, a nanoscale inhomogeneity, that coexist with normal ferroelectric domains. Despite two decades of extensive studies, the contribution of polar nanoregions to the underlying piezoelectric properties of relaxor ferroelectrics has yet to be established. Here we quantitatively characterize the contribution of polar nanoregions to the dielectric/piezoelectric responses of relaxor-ferroelectric crystals using a combination of cryogenic experiments and phase-field simulations. The contribution of polar nanoregions to the room-temperature dielectric and piezoelectric properties is in the range of 50–80%. A mesoscale mechanism is proposed to reveal the origin of the high piezoelectricity in relaxor ferroelectrics, where the polar nanoregions aligned in a ferroelectric matrix can facilitate polarization rotation. This mechanism emphasizes the critical role of local structure on the macroscopic properties of ferroelectric materials.

The origin of ultrahigh piezoelectricity in relaxor-ferroelectric solid solution crystals.

Science.gov (United States)

Li, Fei; Zhang, Shujun; Yang, Tiannan; Xu, Zhuo; Zhang, Nan; Liu, Gang; Wang, Jianjun; Wang, Jianli; Cheng, Zhenxiang; Ye, Zuo-Guang; Luo, Jun; Shrout, Thomas R; Chen, Long-Qing

2016-12-19

The discovery of ultrahigh piezoelectricity in relaxor-ferroelectric solid solution single crystals is a breakthrough in ferroelectric materials. A key signature of relaxor-ferroelectric solid solutions is the existence of polar nanoregions, a nanoscale inhomogeneity, that coexist with normal ferroelectric domains. Despite two decades of extensive studies, the contribution of polar nanoregions to the underlying piezoelectric properties of relaxor ferroelectrics has yet to be established. Here we quantitatively characterize the contribution of polar nanoregions to the dielectric/piezoelectric responses of relaxor-ferroelectric crystals using a combination of cryogenic experiments and phase-field simulations. The contribution of polar nanoregions to the room-temperature dielectric and piezoelectric properties is in the range of 50-80%. A mesoscale mechanism is proposed to reveal the origin of the high piezoelectricity in relaxor ferroelectrics, where the polar nanoregions aligned in a ferroelectric matrix can facilitate polarization rotation. This mechanism emphasizes the critical role of local structure on the macroscopic properties of ferroelectric materials.

Alloying Solid Solution Strengthening of Fe-Ga Alloys: A First-Principle Study

National Research Council Canada - National Science Library

Chen, Kuiying; Cheng, Leon M

2006-01-01

... and Co in cubic solid solution of Fe-Ga alloys. Mayer bond order "BO" values were used to evaluate the atomic bond strengths in the alloys, and were then used to assess the alloying strengthening characteristics...

Electrodeposition of Al-Ta alloys in NaCl-KCl-AlCl{sub 3} molten salt containing TaCl{sub 5}

Energy Technology Data Exchange (ETDEWEB)

Sato, Kazuki; Matsushima, Hisayoshi; Ueda, Mikito, E-mail: mikito@eng.hokudai.ac.jp

2016-12-01

Highlights: • Electrodeposition of Al-Ta alloys in an AlCl{sub 3}-NaCl-KCl-TaCl{sub 5} melt was carried out. • We were obtained 72 at% Ta-Al alloy at 0.3 V. • Amorphous Ta-Al was formed in high Ta concentration. - Abstract: To form Al-Ta alloys for high temperature oxidation resistance components, molten salt electrolysis was carried out in an AlCl{sub 3}-NaCl-KCl melt containing TaCl{sub 5} at 423 K. The voltammogram showed two cathodic waves at 0.45 V and 0.7 V vs. Al/Al(III), which may correspond to reduction from Ta(V) to Ta(III) and from Ta(III) to tantalum metal, respectively. Electrodeposits of Al and Ta were obtained in the range from −0.05 to 0.3 V and the highest concentration of Ta in the electrodeposit was 72 at% at 0.3 V. With increasing Ta content in the alloy, the morphology of the electrodeposits became powdery and the particle size smaller.

solid solution, ordering and microwave dielectric properties of

Indian Academy of Sciences (India)

2017-09-05

Sep 5, 2017 ... which have application in wireless communications. Their high permittivity (εr) ... to 1:2 ordering in Nb system as the scattering power of. Nb is lower than that of Ta ... Transmission electron microscopy. (TEM) (model TECNAI ...

Copper diffusion in TaN-based thin layers

Energy Technology Data Exchange (ETDEWEB)

Nazon, J. [Universite Montpellier II, Institut Charles Gerhardt, UMR 5253 CNRS-UM2-ENSCM-UM1, cc 1504, 34095 Montpellier Cedex 5 (France); Fraisse, B. [Laboratoire Structure, Proprietes et Modelisation des Solides (UMR 8580), Ecole Centrale de Paris, Grande Voie des Vignes, 92295 Chatenay-Malabry Cedex (France); Sarradin, J. [Universite Montpellier II, Institut Charles Gerhardt, UMR 5253 CNRS-UM2-ENSCM-UM1, cc 1504, 34095 Montpellier Cedex 5 (France); Fries, S.G. [SGF Scientific Consultancy, Arndt str.9, D-52064 Aachen (Germany); Tedenac, J.C. [Universite Montpellier II, Institut Charles Gerhardt, UMR 5253 CNRS-UM2-ENSCM-UM1, cc 1504, 34095 Montpellier Cedex 5 (France); Frety, N. [Universite Montpellier II, Institut Charles Gerhardt, UMR 5253 CNRS-UM2-ENSCM-UM1, cc 1504, 34095 Montpellier Cedex 5 (France)], E-mail: Nicole.Frety@univ-montp2.fr

2008-07-15

The diffusion of Cu through TaN-based thin layers into a Si substrate has been studied. The barrier efficiency of TaN/Ta/TaN multilayers of 150 nm in thickness has been investigated and is compared with that of TaN single layers. Thermal stabilities of these TaN-based thin layers against Cu diffusion were determined from in situ X-ray diffraction experiments, conducted in the temperature range of 773-973 K. The TaN/Ta/TaN barrier appeared to be more efficient in preventing Cu diffusion than the TaN single layer.

Surface modification of Ti-30Ta alloy by electrospun PCL deposition

Energy Technology Data Exchange (ETDEWEB)

Wada, C.M.; Rangel, A.L.R.; Souza, M.A. de; Claro, A.P.R.A.; Rezende, M.C.R. [Universidade Estadual Paulista Julio de Mesquita Filho (UNESP), SP (Brazil); Almeida, R. dos S. [Universidade Estadual de Campinas (UNICAMP), SP (Brazil)

2014-07-01

Full text: Surface modifications techniques have been used for change the inert surface of the titanium alloys for better interaction. Ingots of the experimental alloy Ti30Ta were melted in an arc furnace and re-melted ten times at least. They were homogenized under vacuum at 1000 °C for 86. 4 ks to eliminate chemical segregation and cold-worked by swaging. Discs were immersed in aqueous NaOH solution for 24 h, dried at room temperature, immersed in HCl and dried at 40 °C in oven for 24 hours. Followed, PCL fibers were deposited on the Ti30Ta alloy discs surfaces by electrospinning. Plasma treatment was carried out for change PCL electrospun by using stainless steel plasma reactor. Samples were immersed in SBF 5x solution for apatite growth. Surfaces were evaluated by using SEM, X-rays diffraction and contact angle. Samples exhibited hydrophilic behavior after plasma treatment and SBF immersion. Results are very interesting for biomedical applications. (author)

Surface modification of Ti-30Ta alloy by electrospun PCL deposition

International Nuclear Information System (INIS)

Wada, C.M.; Rangel, A.L.R.; Souza, M.A. de; Claro, A.P.R.A.; Rezende, M.C.R.; Almeida, R. dos S.

2014-01-01

Full text: Surface modifications techniques have been used for change the inert surface of the titanium alloys for better interaction. Ingots of the experimental alloy Ti30Ta were melted in an arc furnace and re-melted ten times at least. They were homogenized under vacuum at 1000 °C for 86. 4 ks to eliminate chemical segregation and cold-worked by swaging. Discs were immersed in aqueous NaOH solution for 24 h, dried at room temperature, immersed in HCl and dried at 40 °C in oven for 24 hours. Followed, PCL fibers were deposited on the Ti30Ta alloy discs surfaces by electrospinning. Plasma treatment was carried out for change PCL electrospun by using stainless steel plasma reactor. Samples were immersed in SBF 5x solution for apatite growth. Surfaces were evaluated by using SEM, X-rays diffraction and contact angle. Samples exhibited hydrophilic behavior after plasma treatment and SBF immersion. Results are very interesting for biomedical applications. (author)

Structure and physical properties of Cr_5B_3-type Ta_5Si_3 and Ta_5Ge_3

International Nuclear Information System (INIS)

Yuan, Fang; Forbes, Scott; Ramachandran, Krishna Kumar; Mozharivskyj, Yurij

2015-01-01

The Cr_5B_3-type Ta_5Si_3 phase was prepared by arc-melting, while the Cr_5B_3-type Ta_5Ge_3 one was synthesized through sintering at 1000 °C. X-ray single crystal diffraction was employed to elucidate their structure. According to the magnetization measurements, both Ta_5Si_3 and Ta_5Ge_3 are Pauli paramagnets, with Ta_5Ge_3 showing a Curie-Weiss-like paramagnetic behavior at low temperatures likely due to presence of paramagnetic impurity. Both Ta_5Si_3 and Ta_5Ge_3 display a very low electrical resistivity from 2 to 300 K. The resistivity is constant below 20 K, but displays a positive temperature coefficient above 20 K. Electronic structure calculations with the TB-LMTO-ASA method support the metallic character of the two phases and suggest that the bonding is optimized in both phases. - Highlights: • Synthesis of Cr_5B_3-type Ta_5Si_3 and Ta_5Ge_3 phases with high purity by arc-melting and sintering, respectively. • Magnetization data and electrical resistivity of the Cr_5B_3-type Ta_5Si_3 and Ta_5Ge_3 phases. • Crystal and electronic structure analysis for Ta_5Si_3 and Ta_5Ge_3 phase by X-ray diffraction and TB-LMTO-ASA calculations.

Large-scale fluctuations in the diffusive decomposition of solid solutions

International Nuclear Information System (INIS)

Karpov, V.G.; Grimsditch, M.

1995-01-01

The concept of an instability in the classic Ostwald ripening theory with respect to compositional fluctuations is suggested. We show that small statistical fluctuations in the precipitate phase lead to gigantic Coulomb-like fluctuations in the solute concentration which in turn affect the ripening. As a result large-scale fluctuations in both the precipitate and solute concentrations appear. These fluctuations are characterized by amplitudes of the order of the average values of the corresponding quantities and by a space scale L∼(na) -1/2 which is considerably greater than both the average nuclear radius and internuclear distance. The Lifshitz-Slyozov theory of ripening is shown to remain locally applicable, over length scales much less than L. The implications of these findings for elastic light scattering in solid solutions that have undergone Ostwald ripening are considered

Large-scale fluctuations in the diffusive decomposition of solid solutions

Science.gov (United States)

Karpov, V. G.; Grimsditch, M.

1995-04-01

The concept of an instability in the classic Ostwald ripening theory with respect to compositional fluctuations is suggested. We show that small statistical fluctuations in the precipitate phase lead to gigantic Coulomb-like fluctuations in the solute concentration which in turn affect the ripening. As a result large-scale fluctuations in both the precipitate and solute concentrations appear. These fluctuations are characterized by amplitudes of the order of the average values of the corresponding quantities and by a space scale L~(na)-1/2 which is considerably greater than both the average nuclear radius and internuclear distance. The Lifshitz-Slyozov theory of ripening is shown to remain locally applicable, over length scales much less than L. The implications of these findings for elastic light scattering in solid solutions that have undergone Ostwald ripening are considered.

Contribution of Lattice Distortion to Solid Solution Strengthening in a Series of Refractory High Entropy Alloys

Science.gov (United States)

Chen, H.; Kauffmann, A.; Laube, S.; Choi, I.-C.; Schwaiger, R.; Huang, Y.; Lichtenberg, K.; Müller, F.; Gorr, B.; Christ, H.-J.; Heilmaier, M.

2018-03-01

We present an experimental approach for revealing the impact of lattice distortion on solid solution strengthening in a series of body-centered-cubic (bcc) Al-containing, refractory high entropy alloys (HEAs) from the Nb-Mo-Cr-Ti-Al system. By systematically varying the Nb and Cr content, a wide range of atomic size difference as a common measure for the lattice distortion was obtained. Single-phase, bcc solid solutions were achieved by arc melting and homogenization as well as verified by means of scanning electron microscopy and X-ray diffraction. The atomic radii of the alloying elements for determination of atomic size difference were recalculated on the basis of the mean atomic radii in and the chemical compositions of the solid solutions. Microhardness (μH) at room temperature correlates well with the deduced atomic size difference. Nevertheless, the mechanisms of microscopic slip lead to pronounced temperature dependence of mechanical strength. In order to account for this particular feature, we present a combined approach, using μH, nanoindentation, and compression tests. The athermal proportion to the yield stress of the investigated equimolar alloys is revealed. These parameters support the universality of this aforementioned correlation. Hence, the pertinence of lattice distortion for solid solution strengthening in bcc HEAs is proven.

Decomposition features of a supersaturated solid solution in the Mg-3.3 wt. % Yb alloy

International Nuclear Information System (INIS)

Dobromyslov, A.V.; Kajgorodova, L.I.; Sukhanov, V.D.; Dobatkina, T.V.

2007-01-01

Methods of electron microscopy, hardness measuring and X-ray diffraction analysis are applied to study decomposition kinetics for a supersaturated solid solution in a Mg-3.3 mas. % alloy on aging within a temperature range of 150-225 deg C. The mechanism of supersaturation solid solution decomposition is revealed along with the nature of phases precipitated at various stages of aging: on incomplete and extended aging as well as at maximum hardness. The types of structural constituents responsible for changes of hardness on aging are determined [ru

fs - kes ta on ja kust ta tuleb : [luuletused] / [Mesikepp, Indrek] fs

Index Scriptorium Estoniae

fs, pseud., 1971-

2004-01-01

Sisu: fs - kes ta on ja kust ta tuleb ; "töötasin arhiivis..." ; mustad puud mustas vees ; "on päev. on kylm. on öö..." ; "tead ju kyll..." ; "päiksest paistes päevad..." ; "mida sa teed kui on öö..."

Highly dispersed TaOx nanoparticles prepared by electrodeposition as oxygen reduction electrocatalysts for polymer electrolyte fuel cells

KAUST Repository

Seo, Jeongsuk

2013-06-06

Based on the chemical stability of group IV and V elements in acidic solutions, TaOx nanoparticles prepared by electrodeposition in an ethanol-based Ta plating bath at room temperature were investigated as novel nonplatinum electrocatalysts for the oxygen reduction reaction (ORR) in polymer electrolyte fuel cells (PEFCs). Electrodeposition conditions of Ta complexes and subsequent various heat treatments for the deposited TaOx were examined for the best performance of the ORR. TaOx particles on carbon black (CB), electrodeposited at a constant potential of -0.5 V Ag/AgCl for 10 s and then heat-treated by pure H2 flow at 523 K for 1 h, showed excellent catalytic activity with an onset potential of 0.93 VRHE (for 2 μA cm-2) for the ORR. Surface characterizations of the catalysts were performed by scanning transmission electron microscopy (STEM), transmission electron microscopy (TEM), and energy dispersive X-ray spectroscopy (EDS). The loading amounts of the electrodeposited material on the CB were determined by inductively coupled plasma atomic emission spectroscopy (ICP-AES). All the physical results suggested that high dispersion of TaOx particles on the CB surface with 2-3 nm size was critical and key for high activity. The chemical identity and modified surface structure for the deposited TaOx catalysts before and after H 2 heat treatment were analyzed by X-ray photoelectron spectroscopy (XPS). The formation of more exposed active sites on the electrode surface and enhanced electroconductivity of the tantalum oxide promoted from the H 2 treatment greatly improved the ORR performance of the electrodeposited TaOx nanoparticles on CB. Finally, the highly retained ORR activity after an accelerated durability test in an acidic solution confirmed and proved the chemical stability of the oxide nanoparticles. The high utilization of the electrodeposited TaOx nanoparticles uniformly dispersed on CB for the ORR was comparable to that of commercial Pt/CB catalysts

MANAGEMENT OF SOLID WASTE GENERATED BY THE INTEGRATED STEELWORKS ACTIVITY AND SOLUTIONS TO REDUCE THE ENVIRONMENTAL IMPACT

Directory of Open Access Journals (Sweden)

Anişoara CIOCAN

2010-05-01

Full Text Available The development of steel industry is subject to solve major problems arising from industry-nature relationship, strictly targeted on pollution control and protection of natural resources and energy. In this paper we discussed about the management of solid waste generated by an integrated steelwork located near a major urban area and the adopted solutions for the reduction of environmental impact. There are summarized technical solutions that are currently applied and were proposed some solutions that can be applied in accordance with the environmental legislations. The new solutions are proposed for integrated management of solid wastes in accordance with: the exact quantification (quantitative, qualitative and the generation sources of emissions and solid wastes; controlled storage; minimization of the wastes and its harmfulness; transformation of the wastes into valuable by-products used directly by the company in a subsequent process, or by external down-stream user.

Solid-state lithium battery

Science.gov (United States)

Ihlefeld, Jon; Clem, Paul G; Edney, Cynthia; Ingersoll, David; Nagasubramanian, Ganesan; Fenton, Kyle Ross

2014-11-04

The present invention is directed to a higher power, thin film lithium-ion electrolyte on a metallic substrate, enabling mass-produced solid-state lithium batteries. High-temperature thermodynamic equilibrium processing enables co-firing of oxides and base metals, providing a means to integrate the crystalline, lithium-stable, fast lithium-ion conductor lanthanum lithium tantalate (La.sub.1/3-xLi.sub.3xTaO.sub.3) directly with a thin metal foil current collector appropriate for a lithium-free solid-state battery.

Solid electrolytes. Extremely fast charge carriers in garnet-type Li{sub 6}La{sub 3}ZrTaO{sub 12} single crystals

Energy Technology Data Exchange (ETDEWEB)

Stanje, Bernhard; Breuer, Stefan; Uitz, Marlena [Christian Doppler Laboratory for Lithium Batteries, and Institute for Chemistry and Technology of Materials, Graz University of Technology (NAWI Graz), Graz (Austria); DFG Research Unit ' ' Mobility of Lithium Ions in Solids' ' , Graz University of Technology, Graz (Austria); Rettenwander, Daniel; Redhammer, Guenther [Department Chemistry and Physics of Materials, University of Salzburg (Austria); Berendts, Stefan; Lerch, Martin [Technische Universitaet Berlin, Institut fuer Chemie (Germany); Uecker, Reinhard [Leibniz Institute for Crystal Growth (Forschungsverbund Berlin e.V.), Berlin (Germany); Hanzu, Ilie; Wilkening, Martin [Christian Doppler Laboratory for Lithium Batteries, and Institute for Chemistry and Technology of Materials, Graz University of Technology (NAWI Graz), Graz (Austria); DFG Research Unit ' ' Mobility of Lithium Ions in Solids' ' , Graz University of Technology, Graz (Austria); Alistore-ERI European Research Institute, Amiens (France)

2017-12-15

The development of all-solid-state electrochemical energy storage systems, such as lithium-ion batteries with solid electrolytes, requires stable, electronically insulating compounds with exceptionally high ionic conductivities. Considering ceramic oxides, garnet-type Li{sub 7}La{sub 3}Zr{sub 2}O{sub 12} and derivatives, see Zr-exchanged Li{sub 6}La{sub 3}ZrTaO{sub 12} (LLZTO), have attracted great attention due to its high Li{sup +} ionic conductivity of 10{sup -3} S cm{sup -1} at ambient temperature. Despite numerous studies focussing on conductivities of powder samples, only few use time-domain NMR methods to probe Li ion diffusion parameters in single crystals. Here we report on temperature-variable NMR relaxometry measurements using both laboratory and spin-lock techniques to probe Li jump rates covering a dynamic time window spanning several decades. Both techniques revealed a consistent picture of correlated Li ion jump diffusion in the single crystal; the data perfectly mirror a modified BPP-type relaxation response being based on a Lorentzian-shaped relaxation function. The rates measured could be parameterized with a single set of diffusion parameters. Results from NMR are completely in line with ion transport parameters derived from conductivity spectroscopy. (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Specific features of kinetics of He3-He4 solid solution transformations at superlow temperatures

International Nuclear Information System (INIS)

Mikheev, V.A.; Majdanov, V.A.; Mikhin, N.P.

1986-01-01

The NMR data on the phase transition kinetics of 3 He- 4 He solid solutions at T=100 mK are considered. Studied are solid helium samples of a molecular volume of 20.55 cm 2 /mol with a 3 He content of 0.54 %. An unusually long phase transition time is found which is dependent on the prehistory of sample. The spin diffusion of 3 He in the transformated solution concentrated phase is found to be of a quasi-one-dimensional nature with the diffusion coefficient value typical of liquid

Solid solutions on the base of CuCr2Se4 and CUsUb(1/2)Insub(1/2)Crsub(2)Sesub(4)

International Nuclear Information System (INIS)

Smirnov, S.G.; Rozantsev, A.V.; Kesler, Ya.A.; Gordeev, I.V.; Tret'yakov, Yu.D.

1983-01-01

The CuCr 2 Se 4 interaction with Cusub(1/2)Insub(1/2)Crsub(2)Sesub(4) for determining the fields of solid solutions existence and studying their crystallochemical properties is investigated. Solid solutions of the (1-x)Cusub(1/2)Insub(1/2)Crsub(2)Sesub(4)xxCuCrsub(2)Sesub(4) are prepared, two limited regions of solid solutions of spinel type at 0 <= x <= 0.2 and 0.8 <= x <= 1 are determined. X-ray radiography investigation of synthesized solid solutions is carried out. It has been found that at 0 <= x <= 0.2 solid solutions are crystallized in the ordered spinel structure F anti 43m

Solubility behaviour of antimony(III) and antimony(V) solids in basic aqueous solutions at 300oC

International Nuclear Information System (INIS)

Lemire, R.J.; Tosello, N.B.; Halliday, J.D.

1999-12-01

The major contributions of the isotopes 122 Sb and 124 Sb to activity transport in a CANDU reactor primary heat transport system (HTS), have been associated with oxygen ingress during reactor shutdown. As part of a program to minimize the release and redeposition of these isotopes, the solubilities of antimony(III) and (V) oxides and salts have been measured in basic solutions at temperatures from 25 to 300 o C. The results provide information on the charge and the stability as a function of temperature of antimony solution species and, hence, a guide to the trends in the temperature dependence of the solubilities of antimony solids. In solutions in which oxidation of antimony(III) to antimony(V) is minimized, the solubility of Sb 2 O 3 increases by about two orders of magnitude between 25 and 200 o C, and then levels out or decreases slightly. At 250 o C, in oxidizing solutions, Sb 2 O 5 ·xH 2 O and simple sodium antimonate(V) were found to be unstable in sodium hydroxide solutions with respect to the solid, Na 2α [H(H 2 O)] 2-2α Sb 2 O 6 , which has a pyrochlore structure. The solubility of this partially protonated sodium antimonate increases from 25 to 200 o C and decreases at temperatures above 250 o C. These solubility changes for the antimony (V) solids reflect changes in the stability of the anionic antimony solution species (SbO 3 - or Sb(OH) 6 - ), even though the compositions of antimony-containing solids in basic oxidizing solutions are strongly dependent on the cations and their aqueous phase concentrations. All solids used in the present experiments would be expected to generate total solution antimony concentrations ≥ 0.00005 mol·dm -3 in any neutral or basic aqueous solutions (assuming no added sodium salts). Therefore, under HTS conditions, precipitation of any antimony oxides or mixed oxides is unlikely. It cannot be ruled out that hydrated Sb 2 O 5 (especially the pyrochlore form) might be less soluble in near-neutral, low

Impact of vacancy-solute clusters on the aging of α-Fe solid solutions

International Nuclear Information System (INIS)

Schuler, Thomas

2015-01-01

Understanding and monitoring the aging of steels under vacancy supersaturation is a challenge of great practical interest for many industrial groups, and most of all for those related to nuclear energy. These steels always contain interstitial solutes, either as alloying elements or as impurities, and vacancies (V) that are equilibrium structural defects of materials. We have chosen the Fe-V -X system (X = C, N or O) as a model system for ferritic steels. Vacancy-solute clusters are likely to form in such systems because, despite the very low concentrations of their components, these cluster show very high attractive bonding. First of all, we have been working on the computation of intrinsic equilibrium properties of individual clusters, both thermodynamic (free binding energies) and kinetic (mobilities, dissociation coefficients, and their relationship with continuum diffusion) properties. Thanks to this atomic-scale characterization procedure, we have been able to highlight various effects of these clusters on a macroscopic system containing different cluster types: increase of solute solubility limits and total vacancy concentrations, flux couplings between interstitial solutes and vacancies, acceleration of solute precipitation kinetics and precipitate dissolution by solid solution stabilization due to vacancies. These results would not have been obtained without the development and/or extension of analytical methods in statistical physics which are able to describe cluster's components and their interactions at the atomic scale. Finally, we have also been working on cavities in α-iron, the study of which requires a different approach. Our study highlights the impact of the atomic discrete lattice on the equilibrium shape of cavities, and describes various kinetic mechanisms of these objects at the atomic scale. (author) [fr

Bulk diffusion and solubility of silver and nickel in lead, lead-silver and lead-nickel solid solutions

International Nuclear Information System (INIS)

Amenzou-Badrour, H.; Moya, G.; Bernardini, J.

1988-01-01

The results of a study of solubility and bulk diffusion of /sup 110/Ag and /sup 63/Ni in lead, lead-silver and lead-nickel solid solutions in the temperature range 220 to 88 0 C are reported. Owing to the low solubility of silver and nickel in lead, Fick's solution corresponding to the boundary condition of a constant concentration of solute at the surface has been used. Depth profile concentration analysis suggests a fundamental difference between the diffusion mechanisms of silver and nickel. Since silver penetration profiles in pure lead give diffusion coefficients independent of the penetration depth and silver concentration, it is suggested that slight decreases of silver diffusivity in lead-silver solid solutions have no significance. This implies that the interstitial silver atoms do not associate significantly with each other to form Ag-Ag dimers. In contrast, different behaviors of /sup 63/Ni depth profile concentration in pure lead and saturated PbNi solid solutions agree with a Ni-Ni interaction leading to the formation of less mobile dimers near the surface in pure lead

Investigation of water and saline solution drops evaporation on a solid substrate

Directory of Open Access Journals (Sweden)

Orlova Evgenija G.

2014-01-01

Full Text Available Experimental investigation water and saline solution drops evaporation on a solid substrate made of anodized aluminum is presented in the paper. Parameters characterizing drop profile have been obtained (contact angle, contact diameter, height. The specific evaporation rate has been calculated from obtained values. It was found that water and saline solution drops with concentration up to 9.1% evaporate in the pinning mode. However, with increasing the salt concentration in the solution up to 16.7% spreading mode was observed. Two stages of drop evaporation depending on change of the evaporation rate have been separated.

Formation of solid solution during mutual diffusion of tungsten and molybdenum in the process of sintering

International Nuclear Information System (INIS)

Timofeeva, A.A.; Bulat, I.B.; Voronin, Yu.V.; Fedoseev, G.K.; Karasev, V.M.

1984-01-01

A process of a solid solution homogenization during sintering of W-15Mo and W-5Mo alloys is studied by the methods of density measurements, analysis of the X-ray lines physical broadening and determination of crystalline lattice constant. Study of the process of solid solution formation under conditions of powder composite sintering is shown to be conducted with account of peculiarities of tungsten and molybdenum mutual diffusion in the investigated temperature range of concentrations

Decomposition of supersaturated solid solutions Mg-Ho and Mg-Gd

International Nuclear Information System (INIS)

Sukhanov, V.D.; Dobromyslov, A.V.; Rokhlin, L.L.; Dobatkina, T.V.

2002-01-01

Methods of electron microscopy and X-ray diffraction analysis are applied to study ageing magnesium base alloys with holmium and gadolinium. It is shown that the precipitation of supersaturated Mg base solid solutions goes through several subsequent stages and is accompanied by a considerable precipitation hardening effect at the stage of metastable phase precipitation. The influence of aging time and temperature on precipitation kinetics is established [ru

Photocatalytic hydrogen production over solid solutions between BiFeO{sub 3} and SrTiO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Lu, Lingwei; Lv, Meilin [Shanghai Key Lab of Chemical Assessment and Sustainability, Department of Chemistry, Tongji University, 1239 Siping Road, Shanghai, 200092 (China); Liu, Gang [Shenyang National laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Science, 72 Wenhua Road, Shenyang 110016 (China); Xu, Xiaoxiang, E-mail: xxxu@tongji.edu.cn [Shanghai Key Lab of Chemical Assessment and Sustainability, Department of Chemistry, Tongji University, 1239 Siping Road, Shanghai, 200092 (China)

2017-01-01

Graphical abstract: We have successfully prepared a series of SrTiO{sub 3}-BiFeO{sub 3} solid solutions. These materials own strong visible light absorption and demonstrate appealing photocatalytic activity under both full range and visible light irradiation. - Highlights: • Band gap values can be tuned by adjusting molar ratios between SrTiO{sub 3} and BiFeO{sub 3}. • Photocatalytic activity is greatly improved after constituting solid solutions. • Photocatalytic activity is influenced by surface area and light absorption. • Fe plays an important role for band gap reduction and catalytic activity. - Abstract: Constituting solid solutions has been an appealing means to gain control over various physicochemical properties. In this work, we synthesized a series of SrTiO{sub 3}-BiFeO{sub 3} solid solutions and systematically explored their structural, optical and photocatalytic properties. Our results show that all solid solutions crystallize in a primitive cubic structure and their band gap values can be easily tuned by adjusting molar ratios between SrTiO{sub 3} and BiFeO{sub 3}. Photocatalytic hydrogen production under both full range and visible light irradiation is greatly improved after forming solid solutions. The highest hydrogen production rate obtained is ∼180 μmol/h under full range irradiation (λ ≥ 250 nm) and ∼4.2 μmol/h under visible light irradiation (λ ≥ 400 nm), corresponding to apparent quantum efficiency ∼2.28% and ∼0.10%, respectively. The activity is found to be strongly influenced by surface area and light absorption. Theoretical calculation suggests that Fe contributes to the formation of spin-polarized bands in the middle of original band gap and is responsible for the band gap reduction and visible light photocatalytic activity.

Crystal-chemical features of the solid solutions

Energy Technology Data Exchange (ETDEWEB)

Titov, V.V.; Kesler, Ya.A.; Gordeev, I.V.; Mozhaev, A.P.

1988-04-01

The unusual magnetic properties of the solid solutions of CuCr/sub 2/S/sub 4/ in Cu/sub 0.5/Mo/sub 0.5/Cr/sub 2/S/sub 4/ (M = Al, Ga, In) are closely related to the crystal chemistry of these compounds. Specimens for structural investigation were obtained by solid-phase synthesis in evacuated quartz capsules. X-ray phase analysis of all the compounds was made by the powder method in a DRON-1 diffractometer with Cu K..cap alpha.. filtered radiation. The experimental confirmation of the ordering of the cations in the tetrahedral sublattice of the investigated spinels was obtained by the authors from their IR absorption spectra taken in the range 400-33 cm/sup /minus/1/. The presence of seven intense absorption bands in the spectra of the specimens indicates that these materials belong to the space group F/anti/43m, i.e., that there is ordering in the A sublattice. Their investigation led them to the conclusion that in a number of cases the vibrational spectra of the crystals are more sensitive in the investigation of atomic ordering than the spectra of x-ray and neutron diffraction, in agreement with the theoretical predictions.

Investigation of the phase formation and dielectric properties of Bi7Ta3O18

International Nuclear Information System (INIS)

Chon, M.P.; Tan, K.B.; Khaw, C.C.; Zainal, Z.; Taufiq Yap, Y.H.; Chen, S.K.; Tan, P.Y.

2014-01-01

Highlights: • Synthesis condition of Bi 7 TaO 3 O 18 had been determined. • Recombination of intermediate BiTaO 4 and Bi 3 TaO 7 phases are required for the Bi 7 TaO 3 O 18 phase formation. • Stable material as confirmed by thermal and structural analyses. • Typical ferroelectric showing high dielectric constants and low losses. • Resonance and thermal activated polarisation processes are responsible for the excellent dielectric characteristic. -- Abstract: Polycrystalline Bi 7 Ta 3 O 18 was synthesised at the firing temperature of 950 °C over 18 h via conventional solid state method. It crystallised in a monoclinic system with space group C2/m, Z = 4 similar to that reported diffraction pattern in the Inorganic Crystal Structure Database (ICSD), 1-89-6647. The refined lattice parameters were a = 34.060 (3) Å, b = 7.618 (9) Å, c = 6.647 (6) Å with α = γ = 90° and β = 109.210 (7), respectively. The intermediate phase was predominantly in high-symmetry cubic structure below 800 °C and finally evolved into a low-symmetry monoclinic structured, Bi 7 Ta 3 O 18 at 950 °C. The sample contained grains of various shapes with different orientations in the size ranging from 0.33–22.70 μm. The elemental analysis showed the sample had correct stoichiometry with negligible Bi 2 O 3 loss. Bi 7 Ta 3 O 18 was thermally stable and it exhibited a relatively high relative permittivity, 241 and low dielectric loss, 0.004 at room temperature, ∼30 °C and frequency of 1 MHz

Bridging phases at the morphotropic boundaries of lead oxide solid solutions

NARCIS (Netherlands)

Noheda, Beatriz; Cox, DE

2006-01-01

Ceramic solid solutions of PbZr1-xTixO3 (PZT) with compositions x similar or equal to 0.50 are well-known for their extraordinarily large piezoelectric responses. The latter are highly anisotropic, and it was recently shown that, for the rhombohedral compositions (x less than or similar to 0.5), the

Facile and efficient synthesis of the surface tantalum hydride (≡SiO)2TaIIIH and tris-siloxy tantalum (≡SiO)3TaIII starting from novel tantalum surface species (≡SiO)TaMe4 and (≡SiO)2TaMe 3

KAUST Repository

Chen, Yin

2014-03-10

By grafting of TaMe5 (1) on the surface of silica partially dehydroxylated at 500 C (silica500), a mixture of (≡SiO)TaMe4 (2a; major, 65 ± 5%) and (≡SiO) 2TaMe3 (2b; minor, 35 ± 5%) was produced, which has been characterized by microanalysis, IR, and SS NMR (1H, 13C, 1H-13C HETCOR, proton double and triple quantum). After grafting, these surface organometallic compounds are more stable than the precursor TaMe5. Treatment of 2a,b with water and H 2 resulted in the formation of methane in amount of 3.6 ± 0.2 and 3.4 ± 0.2 mol/grafted Ta, respectively. 2a,b react with H2 (800 mbar) to form (≡SiO)2TaH. After (≡SiO) 2TaH was heated to 500 C under hydrogen or vacuum, [(≡SiO) 3Ta][≡SiH] was produced, and the structure was confirmed by IR, NMR, and EXAFS. Considering the difficulty of the previous preparation method, these syntheses represent a facile and convenient way to prepare tantalum surface species (≡SiO)2TaH and (≡SiO)3Ta via the intermediate of the new surface organometallic precursors: (≡SiO)TaMe4/(≡SiO)2TaMe3. (≡SiO)2TaH and (≡SiO)3Ta exhibit equal reactivities in alkane metathesis and ethylene polymerization in comparison to those in previous reports. © 2014 American Chemical Society.

Facile and efficient synthesis of the surface tantalum hydride (≡SiO)2TaIIIH and tris-siloxy tantalum (≡SiO)3TaIII starting from novel tantalum surface species (≡SiO)TaMe4 and (≡SiO)2TaMe 3

KAUST Repository

Chen, Yin; Ould-Chikh, Samy; Abou-Hamad, Edy; Callens, Emmanuel; Mohandas, Janet Chakkamadathil; Khalid, Syed M.; Basset, Jean-Marie

2014-01-01

By grafting of TaMe5 (1) on the surface of silica partially dehydroxylated at 500 C (silica500), a mixture of (≡SiO)TaMe4 (2a; major, 65 ± 5%) and (≡SiO) 2TaMe3 (2b; minor, 35 ± 5%) was produced, which has been characterized by microanalysis, IR, and SS NMR (1H, 13C, 1H-13C HETCOR, proton double and triple quantum). After grafting, these surface organometallic compounds are more stable than the precursor TaMe5. Treatment of 2a,b with water and H 2 resulted in the formation of methane in amount of 3.6 ± 0.2 and 3.4 ± 0.2 mol/grafted Ta, respectively. 2a,b react with H2 (800 mbar) to form (≡SiO)2TaH. After (≡SiO) 2TaH was heated to 500 C under hydrogen or vacuum, [(≡SiO) 3Ta][≡SiH] was produced, and the structure was confirmed by IR, NMR, and EXAFS. Considering the difficulty of the previous preparation method, these syntheses represent a facile and convenient way to prepare tantalum surface species (≡SiO)2TaH and (≡SiO)3Ta via the intermediate of the new surface organometallic precursors: (≡SiO)TaMe4/(≡SiO)2TaMe3. (≡SiO)2TaH and (≡SiO)3Ta exhibit equal reactivities in alkane metathesis and ethylene polymerization in comparison to those in previous reports. © 2014 American Chemical Society.

Study of valence of cerium and praseodymium ions in Pr1-xCexO2 solid solutions

International Nuclear Information System (INIS)

Gartsman, K.G.; Kartenko, N.F.; Melekh, B.T.

1990-01-01

Effect of preparation conditions of Pr 1-x Ce x O 2 solid solutions on Ce and Pr ion valence within Pr 1-x Ce x O 2 system is studied. The data obtained enable to conclude that praseodymium may depending on annealing conditions change its state from Pr 3+ to Pr 4+ , while Ce 4+ is stable in Pr 1-x Ce x O 2 solid solutions

Solid solutions in the system Nd2(SeO4)3 - Sm2(SeO4)3 - H2O

International Nuclear Information System (INIS)

Serebrennikov, V.V.; Tsybukova, T.N.; Velikov, A.A.

1984-01-01

Using the method of isothermal solubility at 25 deg C the system Nd 2 (SeO 4 ) 3 -Sm 2 (SeO 4 ) 3 -H 2 O has been studied. Roentgenographic recording of solid ''residues'' is realized. For solid solutions energies of interchange and formation heats are calculated. Formation heats of solid solutions on the basis of samarium selenates are also found experimentally

EUSO-TA data and simulations

Energy Technology Data Exchange (ETDEWEB)

Bisconti, Francesca [Institut fuer Kernphysik (IKP), Karlsruher Institut fuer Technologie (KIT) (Germany); Collaboration: JEM-EUSO-Collaboration

2016-07-01

EUSO-TA is one of the fluorescence cosmic ray detector prototypes developed by the JEM-EUSO Collaboration. The prototype has two 1 m diameter Fresnel lenses and one photo detector module (PDM) as focal surface. The PDM consists of 36 multi-anode photomultiplier tubes from Hamamatsu. The prototype has been designed to get information about the calibration of the Fresnel lense system and the PDM, basic parts of the main space-based fluorescence detector under development. EUSO-TA is located at the Black Rock Mesa site of the Telescope Array project (Utah-USA) and works in parallel with the TA fluorescence detectors since February 2015. During its campaigns, EUSO-TA detects cosmic ray events, as well as the pulsed laser from the Central Laser Facility, necessary for the detector calibration. Also planes and stars signatures are well visible in the data, although out of the scientific purpose. The analysis of EUSO-TA data and the comparison of data with simulations will be shown.

Failure criterion effect on solid production prediction and selection of completion solution

Directory of Open Access Journals (Sweden)

Dariush Javani

2017-12-01

Full Text Available Production of fines together with reservoir fluid is called solid production. It varies from a few grams or less per ton of reservoir fluid posing only minor problems, to catastrophic amount possibly leading to erosion and complete filling of the borehole. This paper assesses solid production potential in a carbonate gas reservoir located in the south of Iran. Petrophysical logs obtained from the vertical well were employed to construct mechanical earth model. Then, two failure criteria, i.e. Mohr–Coulomb and Mogi–Coulomb, were used to investigate the potential of solid production of the well in the initial and depleted conditions of the reservoir. Using these two criteria, we estimated critical collapse pressure and compared them to the reservoir pressure. Solid production occurs if collapse pressure is greater than pore pressure. Results indicate that the two failure criteria show different estimations of solid production potential of the studied reservoir. Mohr–Coulomb failure criterion estimated solid production in both initial and depleted conditions, where Mogi–Coulomb criterion predicted no solid production in the initial condition of reservoir. Based on Mogi–Coulomb criterion, the well may not require completion solutions like perforated liner, until at least 60% of reservoir pressure was depleted which leads to decrease in operation cost and time.

Direct observation of effective temperature of Ta atom in layer compound TaS2 by neutron resonance absorption spectrometer

International Nuclear Information System (INIS)

Tokuda, Koji; Kamiyama, Takashi; Kiyanagi, Yoshiaki; Moreh, R.; Ikeda, Susumu

2001-01-01

A neutron resonance absorption spectrometer, DOG has been installed at KENS, High Energy Accelerator Research Organization Neutron Source, which enables us to investigate the motions of a particular element by analyzing the line width of resonance absorption spectrum. We measured the temperature dependence of the effective temperature of Ta motion in TaS 2 as well as in Ta metal using DOG. The effective temperatures extracted from the observed absorption spectrum agree well with the calculated values from the phonon density of states of Ta metal over a wide temperature range of 10 to 300 K. We also succeeded in measuring both the angular dependence and the temperature dependence of effective temperatures of Ta in a layer compound TaS 2 . Based on the temperature dependence of the effective temperature, the partial phonon density of states of Ta in TaS 2 was discussed. (author)

Hierarchical architectures of ZnS–In2S3 solid solution onto TiO2 nanofibers with high visible-light photocatalytic activity

International Nuclear Information System (INIS)

Liu, Chengbin; Meng, Deshui; Li, Yue; Wang, Longlu; Liu, Yutang; Luo, Shenglian

2015-01-01

Graphical abstract: A unique hierarchical architecture of ZnS–In 2 S 3 solid solution onto TiO 2 nanofibers was fabricated. The hierarchical heterostructures exhibit high visible light photocatalytic activity and outstanding recycling performance. - Highlights: • Novel hierarchical heterostructure of TiO 2 @ZnS–In 2 S 3 solid solution. • Efficient inhibition of ZnS–In 2 S 3 solid solution aggregation. • High visible light photocatalytic activity. • Highly stable recycling performance. - Abstract: A unique hierarchical architecture of ZnS–In 2 S 3 solid solution nanostructures onto TiO 2 nanofibers (TiO 2 @ZnS–In 2 S 3 ) has been successfully fabricated by simple hydrothermal method. The ZnS–In 2 S 3 solid solution nanostructures exhibit a diversity of morphologies: nanosheet, nanorod and nanoparticle. The porous TiO 2 nanofiber templates effectively inhibit the aggregation growth of ZnS–In 2 S 3 solid solution. The formation of ZnS–In 2 S 3 solid solution is proved by X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) and the intimate contact between TiO 2 nanofibers and ZnS–In 2 S 3 solid solution favors fast transfer of photogenerated electrons. The trinary TiO 2 @ZnS–In 2 S 3 heterostructures exhibit high adsorption capacity and visible light photocatalytic activity for the degradation of rhodamine B dye (RhB), remarkably superior to pure TiO 2 nanofibers or binary structures (ZnS/TiO 2 nanofibers, In 2 S 3 /TiO 2 nanofibers and ZnS–In 2 S 3 solid solution). Under visible light irradiation the RhB photocatalytic degradation rate over TiO 2 @ZnS–In 2 S 3 heterostructures is about 16.7, 12.5, 6.3, 5.9, and 2.2 times that over pure TiO 2 nanofibers, ZnS nanoparticles, In 2 S 3 /TiO 2 nanofibers, ZnS/TiO 2 nanofibers, and ZnS-In 2 S 3 solid solution, respectively. Furthermore, the TiO 2 @ZnS–In 2 S 3 heterostructures show highly stable recycling performance

Influence of cold deformation on martensite transformation and mechanical properties of Ti-Nb-Ta-Zr alloy

International Nuclear Information System (INIS)

Wang Liqiang; Lu Weijie; Qin Jining; Zhang Fan; Zhang Di

2009-01-01

Ti-35Nb-2Ta-3Zr alloy was fabricated by vacuum consumable arc melting furnace and hot pressing. Microstructure and phase transformation of solution-treated (ST) and cold-rolled (CR) plates of Ti-Nb-Ta-Zr alloy were observed. Different microstructure of strain-induced martensite transformation during cold deformation were investigated. With the increase of reduction of cold rolling, microstructure of α''-phase changed from acicular martensite to butterfly shaped martensite and showed variant crossed and cross-hatched when the reduction of cold rolling was over 60%. Mechanical properties and SEM images of the fracture surface indicated that the alloy fabricated by cold deformation showed favorable strength and plasticity. Owing to the excellent cold workability and biomedical safety of elements of Nb, Ta and Zr, Ti-Nb-Ta-Zr alloy contributed much to medical applications

First-principles investigations of solid solution strengthening in Al alloys

OpenAIRE

Ma, Duancheng

2012-01-01

Any material properties, in principle, can be reproduced or predicted by performing firstprinciples calculations. Nowadays, however, we are dealing with complex alloy compositions and processes. The complexities cannot be fully described by first-principles, because of the limited computational power. The primary objective of this study is to investigate an important engineering problem, solid solution strengthening, in a simplified manner. The simplified scheme should allow fast and reliable...

Modelling the mechanical behaviour of heterogeneous Ta/TA6V welded joints: behaviour and failure criteria; Modelisation du comportement mecanique des liaisons soudees heterogenes Ta/TA6V: comportement et critere de rupture

Energy Technology Data Exchange (ETDEWEB)

Paris, Th

2008-12-15

As laser welding of two different materials (heterogeneous welding) leads to a joint having a characteristic size close to the millimetre, i.e. much smaller than that of a structure, and as such a junction displays completely different mechanical properties because of the metallurgical transformations induced by intense thermal loading, the aim of this research thesis is to develop a behaviour model, flexible and robust enough, to represent all together the mechanical behaviours of the Ta, the TA6V and the melted zone. This model must be able to take plasticity and visco-plasticity into account, and also to provide a failure criterion through damage mechanics and its coupling with the behaviour. The author first reports the experimental characterization of the base materials (Ta and TA6V) by using tensile tests under different strain rates and different directions, relaxation tests and fatigue shear tests. He also characterizes the melted zone by describing the influence of a thermal treatment (induced by welding) on the formation of the melted zone, and by using different tests: four point bending on notched specimens, nano-indentation test, and longitudinal tensile test. In a second part, the author develops the model within the framework of continuum thermodynamics, and explores the numerical issues. The last part deals with the validation of the model for the concerned materials (Ta and TA6V) and melted zone.

Deep and shallow acceptor levels in solid solutions Pb0.98Sm0.02S

International Nuclear Information System (INIS)

Hasanov, H.A.; Rahimov, R.Sh.

2010-01-01

It is well known that the metal vacancies the energy levels of which take place between permitted energies of valency band, are the main acceptor centers in the led salts and solid solutions on their base. The aim of the given paper is founding of character of acceptor levels in single crystals Pb 0 .98Sm 0 .02S with low concentrations of charge carrier. The deep and shallow acceptor levels are found at investigation of Hall effect in Pb 0 .98Sm 0 .02S solid solution with character of low concentrations of charge carriers in crystals

Ultrathin TaOx film based photovoltaic device

International Nuclear Information System (INIS)

Tyagi, Pawan

2011-01-01

Application of the economical metal oxide thin-film photovoltaic devices is hindered by the poor energy efficiency. This paper investigates the photovoltaic effect with an ultrathin tantalum oxide (TaOx) tunnel barrier, formed by the plasma oxidation of a pre-deposited tantalum (Ta) film. These ∼ 3 nm TaOx tunnel barriers showed approximately 160 mV open circuit voltage and 3-5% energy efficiency, for varying light intensity. The ultrathin TaOx (∼ 3 nm) could absorb approximately 12% of the incident light radiation in 400-1000 nm wavelength range; this strong light absorbing capability was found to be associated with the dramatically large extinction coefficient. Spectroscopic ellipsometry revealed that the extinction coefficient of 3 nm TaOx was ∼ 0.2, two orders higher than that of tantalum penta oxide (Ta 2 O 5 ). Interestingly, refractive index of this 3 nm thick TaOx was comparable with that of stochiometeric Ta 2 O 5 . However, heating and prolonged high-intensity light exposure deteriorated the photovoltaic effect in TaOx junctions. This study provides the basis to explore the photovoltaic effect in a highly economical and easily processable ultrathin metal oxide tunnel barrier or analogous systems.

Soft chemistry routes to transparent metal oxide thin films. The case of sol–gel synthesis and structural characterization of Ta2O5 thin films from tantalum chloromethoxide

International Nuclear Information System (INIS)

Epifani, Mauro; Zamani, Reza; Arbiol, Jordi; Fabrega, Cristian; Andreu, Teresa; Pace, Giovanni Battista; Siciliano, Pietro; Morante, Joan R.

2014-01-01

Ta 2 O 5 thin films were prepared by spin-coating methanol solutions of Ta chloromethoxide. It was prepared by reacting TaCl 5 with methanol, followed by water addition (H 2 O: Ta molar ratio was 16). Thin films were deposited by spin-coating onto SiO 2 /Si substrates, followed by drying at 90 °C and heat-treatment up to 700 °C. The films were characterized by X-ray diffraction, transmission electron microscopy and field emission scanning electron microscopy. Crystallization was obtained only after heating at 700 °C, in the Ta 2 O 5 orthorhombic phase. The resulting films had a thickness of 100 nm. Their structure was constituted by porous crystals with size up to 50 nm, while the pores had a size of about 10 nm. The results demonstrated that TaCl 5 is very convenient precursor for the wet chemical synthesis of Ta 2 O 5 thin films. - Highlights: • Development of convenient solution synthesis of Ta 2 O 5 thin films; • The precursor chemistry was established and related to the synthesis process; • Uniform films crystallized in the most stable orthorombic Ta 2 O 5 phase;

The investigation of solid solutions thin interlayers in CdS/CdTe film heterosystems

International Nuclear Information System (INIS)

Khrypunov, G.; Boyko, B.; Chernykh, O.

1999-01-01

The photo-response spectral dependence of ITO/CdTe/Au/Cu and ITO/CdS/CdTe/Au/Cu film heterosystems were investigated. At illuminations ITO/CdS/CdTe/Au/Cu heterosystems on ITO side a photo-response maximum was observed for photon absorption with a wavelength of 0.87 μm that is stipulated by formation of CdS x Te 1-x solid solutions interlayer with band gap width less than in CdTe layer. By use optical measurement transmittance spectra was selected a spectral photosensitivity interval appropriate to the contribution of non-equilibrium charge carriers generated in solid solutions interlayer by photon absorption with energy less than CdTe film band gap

Fine interstitial clusters as recombinators in decomposing solid solutions under irradiation

International Nuclear Information System (INIS)

Trushin, Yu.V.

1991-01-01

Behaviour of interstitial clusters and their roll in processes of radiation swelling of metals are described. It is shown that occurrence of coherent advanced precipitations during decomposition of solid solutions under irradiation leads to matrix supersaturation over interstitial atoms. This enhances recombination of unlike defects due to vacancy precipitation on fine interstitial clusters. Evaluation of cluster sizes was conducted

Study of reaction sequences for formation of solid solution: 0,48 ...

African Journals Online (AJOL)

... of a low concentration of ions forming the perovskite structure PZT (Pb2+, Zr4+ et Ti4+) by other ions (Zn2+, Cr3+ et Sb+5 in our study) alters the reaction sequences training of the solid solution PZT and especially the formation of intermediate phase. Keywords: PZT / Calcination / TGA / DTA / RX / Piezoelectric Ceramics ...

Quinary wurtzite Zn-Ga-Ge-N-O solid solutions and their photocatalytic properties under visible light irradiation

Science.gov (United States)

Xie, Yinghao; Wu, Fangfang; Sun, Xiaoqin; Chen, Hongmei; Lv, Meilin; Ni, Shuang; Liu, Gang; Xu, Xiaoxiang

2016-01-01

Wurtzite solid solutions between GaN and ZnO highlight an intriguing paradigm for water splitting into hydrogen and oxygen using solar energy. However, large composition discrepancy often occurs inside the compound owing to the volatile nature of Zn, thereby prescribing rigorous terms on synthetic conditions. Here we demonstrate the merits of constituting quinary Zn-Ga-Ge-N-O solid solutions by introducing Ge into the wurtzite framework. The presence of Ge not only mitigates the vaporization of Zn but also strongly promotes particle crystallization. Synthetic details for these quinary compounds were systematically explored and their photocatalytic properties were thoroughly investigated. Proper starting molar ratios of Zn/Ga/Ge are of primary importance for single phase formation, high particle crystallinity and good photocatalytic performance. Efficient photocatalytic hydrogen and oxygen production from water were achieved for these quinary solid solutions which is strongly correlated with Ge content in the structure. Apparent quantum efficiency for optimized sample approaches 1.01% for hydrogen production and 1.14% for oxygen production. Theoretical calculation reveals the critical role of Zn for the band gap reduction in these solid solutions and their superior photocatalytic acitivity can be understood by the preservation of Zn in the structure as well as a good crystallinity after introducing Ge.

A decontamination system for chemical weapons agents using a liquid solution on a solid sorbent.

Science.gov (United States)

Waysbort, Daniel; McGarvey, David J; Creasy, William R; Morrissey, Kevin M; Hendrickson, David M; Durst, H Dupont

2009-01-30

A decontamination system for chemical warfare agents was developed and tested that combines a liquid decontamination reagent solution with solid sorbent particles. The components have fewer safety and environmental concerns than traditional chlorine bleach-based products or highly caustic solutions. The liquid solution, based on Decon Greentrade mark, has hydrogen peroxide and a carbonate buffer as active ingredients. The best solid sorbents were found to be a copolymer of ethylene glycol dimethacrylate and n-lauryl methacrylate (Polytrap 6603 Adsorber); or an allyl methacrylate cross-linked polymer (Poly-Pore E200 Adsorber). These solids are human and environmentally friendly and are commonly used in cosmetics. The decontaminant system was tested for reactivity with pinacolyl methylphosphonofluoridate (Soman, GD), bis(2-chloroethyl)sulfide (Mustard, HD), and S-(2-diisopropylaminoethyl) O-ethyl methylphosphonothioate (VX) by using NMR Spectroscopy. Molybdate ion (MoO(4)(-2)) was added to the decontaminant to catalyze the oxidation of HD. The molybdate ion provided a color change from pink to white when the oxidizing capacity of the system was exhausted. The decontaminant was effective for ratios of agent to decontaminant of up to 1:50 for VX (t(1/2) decontamination solution were measured to show that the sorbent decreased the vapor concentration of GD. The E200 sorbent had the additional advantage of absorbing aqueous decontamination solution without the addition of an organic co-solvent such as isopropanol, but the rate depended strongly on mixing for HD.

Phase transitions and electrical properties of Bi2W1−xNbxO6−y and Bi2W1−xTaxO6−y

International Nuclear Information System (INIS)

Kharitonova, E.P.; Voronkova, V.I.; Gagor, A.B.; Pietraszko, A.P.; Alekseeva, O.A.

2013-01-01

Highlights: •The limit of Bi 2 W 1−x Me x O 6−y solid solutions is at x = 0.1, 0.15 for Me = Nb, Ta. •Ta and Nb substitutions for W suppress the reconstructive phase transition. •Bi 2 W 0.9 Nb 0.1 O 6−y samples belong to Aurivillius-type structure up to their melting. •Nb and Ta doping shifts ferroelectric transition to low temperatures up to 200 °C. •The highest conductivity reaches 10 −1 S/cm at 800 °C (x = 0.05, 0.1; Me = Nb, Ta). -- Abstract: Polycrystalline samples of Bi 2 W 1−x Me x O 6−y (Me = Nb, Ta) solid solutions have been prepared by solid-state reactions, and the influence of Nb and Ta substitutions for W on the polymorphism and electrical properties of Bi 2 WO 6 has been studied. The limit of the solid solutions is at x = 0.1 for Me = Nb and at x = 0.15 for Me = Ta. The distinctive features of the polymorphism of the Nb- and Ta-doped materials have been identified. According to differential scanning calorimetry data, tantalum and niobium substitutions for tungsten increase the temperature of the high-temperature, orthorhombic-to-monoclinic reconstructive phase transition and suppress the transition starting at x = 0.05 for Me = Nb and x = 0.10 for Me = Ta. As a result, the Bi 2 W 1−x Nb x O 6−y samples have an orthorhombic Aurivillius-type structure up to their melting point. The Bi 2 W 1−x Ta x O 6−y solid solutions at high temperatures consist of a mixture of an orthorhombic and a monoclinic phase. Nb and Ta doping shifts the ferroelectric phase transition to lower temperatures by more than 200 °C, thus markedly extending the stability range of the nonpolar orthorhombic paraelectric phase, which exists in a temperature range as narrow as 930–960 °C in the case of undoped Bi 2 WO 6 . The increase in oxygen vacancy concentration due to heterovalent substitutions of Nb 5+ and Ta 5+ for W 6+ leads to an increase in conductivity by two orders of magnitude relative to the unsubstituted compound

Tribological properties of self-lubricating Ta-Cu films

Science.gov (United States)

Qin, Wen; Fu, Licai; Zhu, Jiajun; Yang, Wulin; Li, Deyi; Zhou, Lingping

2018-03-01

In this paper, Ta and TaCu films were deposited by using magnetron sputtering, and the tribological properties of the films against Si3N4 balls were investigated under the loads of 2 N and 5 N. The average grain sizes of both films are below 25 nm. Ta and TaCu films have approximate hardness. While the wear rate of TaCu film is much smaller than that of Ta film. Post-wear testing XRD, Raman and XPS revealed the formation of tantalum oxide on the worn surface of both Ta and TaCu films. Tantalum oxidation is effectively lubricating to reduce friction coefficient. So the friction coefficient of both Ta and TaCu film is about 0.45 under different applied loads. Meanwhile, the addition of Cu could increase the toughness of the film, and avoid the generation of wear debris, resulting in a significant increase in wear resistance.

CSBB-ConeExclusion, adapting structure based solution virtual screening to libraries on solid support.

Science.gov (United States)

Shave, Steven; Auer, Manfred

2013-12-23

Combinatorial chemical libraries produced on solid support offer fast and cost-effective access to a large number of unique compounds. If such libraries are screened directly on-bead, the speed at which chemical space can be explored by chemists is much greater than that addressable using solution based synthesis and screening methods. Solution based screening has a large supporting body of software such as structure-based virtual screening tools which enable the prediction of protein-ligand complexes. Use of these techniques to predict the protein bound complexes of compounds synthesized on solid support neglects to take into account the conjugation site on the small molecule ligand. This may invalidate predicted binding modes, the linker may be clashing with protein atoms. We present CSBB-ConeExclusion, a methodology and computer program which provides a measure of the applicability of solution dockings to solid support. Output is given in the form of statistics for each docking pose, a unique 2D visualization method which can be used to determine applicability at a glance, and automatically generated PyMol scripts allowing visualization of protein atom incursion into a defined exclusion volume. CSBB-ConeExclusion is then exemplarically used to determine the optimum attachment point for a purine library targeting cyclin-dependent kinase 2 CDK2.

Influence of lanthanium atoms on the physico-chemical properties of GeS0,5Se0,5 solid solutions

International Nuclear Information System (INIS)

Murguzov, M.I.; Alakbarov, A.S.; Bayramov, R.B.

2010-01-01

By the methods of physical-chemical analysis (DTA, X-ray, MSA, as well as measurement of microhardness and density determination) the influence of La on the physico-chemical properties of solid solutions (GeS 0 ,5Se 0 ,5) 1 -x(La) x was studied and its microdiagram was plotted. At room temperature the GeS 0 ,5Se 0 ,5 based solid solid solution extent to 4 at. percent La. The dependence of lanthane microhardness was studied

Dynamic nuclear polarization methods in solids and solutions to explore membrane proteins and membrane systems.

Science.gov (United States)

Cheng, Chi-Yuan; Han, Songi

2013-01-01

Membrane proteins regulate vital cellular processes, including signaling, ion transport, and vesicular trafficking. Obtaining experimental access to their structures, conformational fluctuations, orientations, locations, and hydration in membrane environments, as well as the lipid membrane properties, is critical to understanding their functions. Dynamic nuclear polarization (DNP) of frozen solids can dramatically boost the sensitivity of current solid-state nuclear magnetic resonance tools to enhance access to membrane protein structures in native membrane environments. Overhauser DNP in the solution state can map out the local and site-specific hydration dynamics landscape of membrane proteins and lipid membranes, critically complementing the structural and dynamics information obtained by electron paramagnetic resonance spectroscopy. Here, we provide an overview of how DNP methods in solids and solutions can significantly increase our understanding of membrane protein structures, dynamics, functions, and hydration in complex biological membrane environments.

Ab initio study of interstitial cluster interaction with Re, Os, and Ta in W

Energy Technology Data Exchange (ETDEWEB)

Setyawan, Wahyu, E-mail: wahyu.setyawan@pnnl.gov; Nandipati, Giridhar; Kurtz, Richard J.

2017-02-15

The stability of tungsten self-interstitial atom (SIA) clusters is studied using first-principles methods. Clusters from one to seven SIAs are systematically explored from 1264 unique configurations. Finite-size effect of the simulation cell is corrected based on the scaling of formation energy versus inverse volume cell. Furthermore, the accuracy of the calculations is improved by treating the 5p semicore states as valence states. Configurations of the three most stable clusters in each cluster size n are presented, which consist of parallel [111] dumbbells. The evolution of these clusters leading to small dislocation loops is discussed. The binding energy of size-n clusters is analyzed relative to an n → (n-1) + 1 dissociation and is shown to increase with size. Extrapolation for n > 7 is presented using a dislocation loop model. In addition, the interaction of these clusters with a substitutional Re, Os, or Ta solute is explored by replacing one of the dumbbells with the solute. Re and Os strongly attract these clusters, but Ta strongly repels. The strongest interaction is found when the solute is located on the periphery of the cluster rather than in the middle. The magnitude of this interaction decreases with cluster size. Empirical fits to describe the trend of the solute binding energy are presented. - Highlights: • Systematic DFT exploration of tungsten SIA clusters from 1264 configurations. • Detailed structures of several most stable clusters are presented. • Novel finding of the trend of solute binding of Re, Os, and Ta with SIA clusters. • Empirical models that describe the trends of the solute binding energies.

Ab initio study of interstitial cluster interaction with Re, Os, and Ta in W

International Nuclear Information System (INIS)

Setyawan, Wahyu; Nandipati, Giridhar; Kurtz, Richard J.

2017-01-01

The stability of tungsten self-interstitial atom (SIA) clusters is studied using first-principles methods. Clusters from one to seven SIAs are systematically explored from 1264 unique configurations. Finite-size effect of the simulation cell is corrected based on the scaling of formation energy versus inverse volume cell. Furthermore, the accuracy of the calculations is improved by treating the 5p semicore states as valence states. Configurations of the three most stable clusters in each cluster size n are presented, which consist of parallel [111] dumbbells. The evolution of these clusters leading to small dislocation loops is discussed. The binding energy of size-n clusters is analyzed relative to an n → (n-1) + 1 dissociation and is shown to increase with size. Extrapolation for n > 7 is presented using a dislocation loop model. In addition, the interaction of these clusters with a substitutional Re, Os, or Ta solute is explored by replacing one of the dumbbells with the solute. Re and Os strongly attract these clusters, but Ta strongly repels. The strongest interaction is found when the solute is located on the periphery of the cluster rather than in the middle. The magnitude of this interaction decreases with cluster size. Empirical fits to describe the trend of the solute binding energy are presented. - Highlights: • Systematic DFT exploration of tungsten SIA clusters from 1264 configurations. • Detailed structures of several most stable clusters are presented. • Novel finding of the trend of solute binding of Re, Os, and Ta with SIA clusters. • Empirical models that describe the trends of the solute binding energies.

Experimental and theoretical study of solid solution stability under irradiation

International Nuclear Information System (INIS)

Cauvin, Richard.

1981-08-01

The behavior of dilute alloys (Al-Zn, Al-Ag, Al-Si, Al-Ge and Al-Mg) under 1 MeV electron irradiation has been studied in a high voltage electron microscope. A phenomenon of homogeneous precipitation induced by irradiation in undersaturated solid solutions (Al-Zn, Al-Ag and Al-Si) has been discovered; the observed precipitates are either coherent or incoherent, but never associated with point defect sinks. The solubility limit is a function of irradiation temperature and flux; but, under irradiation, it does not behave as a true thermal solubility limit (without irradiation). The existing theories (kinetic or strictly thermodynamic) do not account for this phenomenon. It is shown that the irreversibility of the mutual recombination between trapped vacancies and mixed interstitials is the driving force of this homogeneous precipitation. Using a dilute solid solution model, we show that, under irradiation, the homogeneous stationary state, stable from a strictly thermodynamic point of view, can be unstable when the recombination reaction is taken into account. The solubility limit under irradiation is calculated with a nucleation-growth model taking account for this effect; it is proportional to the thermal solubility limit without irradiation. This model explains all the experimental observations [fr

Optical and Piezoelectric Study of KNN Solid Solutions Co-Doped with La-Mn and Eu-Fe

Directory of Open Access Journals (Sweden)

Jesús-Alejandro Peña-Jiménez

2016-09-01

Full Text Available The solid-state method was used to synthesize single phase potassium-sodium niobate (KNN co-doped with the La3+–Mn4+ and Eu3+–Fe3+ ion pairs. Structural determination of all studied solid solutions was accomplished by XRD and Rietveld refinement method. Electron paramagnetic resonance (EPR studies were performed to determine the oxidation state of paramagnetic centers. Optical spectroscopy measurements, excitation, emission and decay lifetime were carried out for each solid solution. The present study reveals that doping KNN with La3+–Mn4+ and Eu3+–Fe3+ at concentrations of 0.5 mol % and 1 mol %, respectively, improves the ferroelectric and piezoelectric behavior and induce the generation of optical properties in the material for potential applications.

Preparation, structural, dielectric and magnetic properties of LaFeO3–PbTiO3 solid solutions

International Nuclear Information System (INIS)

Ivanov, S.A.; Tellgren, R.; Porcher, F.; Ericsson, T.; Mosunov, A.; Beran, P.; Korchagina, S.K.; Kumar, P. Anil; Mathieu, R.; Nordblad, P.

2012-01-01

Highlights: ► Solid-solutions of (1−x)LaFeO 3 –(x)PbTiO 3 were synthesized by solid-state reaction. ► XRPD and NPD evidence orthorhombic (x 0.8) crystal structures. ► LaFeO 3 -rich compositions order antiferromagnetically (x 3 -rich compositions exhibit ferroelectric order (x larger than 0.8). ► Magnetic and dielectric (relaxor) ordering coexist near room-temperature around x = 0.4. -- Abstract: Solid solutions of (1−x)LaFeO 3 –(x)PbTiO 3 (0 3+ cations in the B-site with propagation vector k = (0,0,0). Based on the obtained experimental data, a combined structural and magnetic phase diagram has been constructed. The factors governing the structural, dielectric and magnetic properties of (1−x)LaFeO 3 –(x)PbTiO 3 solid solutions are discussed, as well as their possible multiferroicity.

Fabrication of nanocrystalline alloys Cu–Cr–Mo super satured solid solution by mechanical alloying

Energy Technology Data Exchange (ETDEWEB)

Aguilar, C., E-mail: claudio.aguilar@usm.cl [Departamento de Ingeniería Metalúrgica y Materiales, Universidad Técnica Federico Santa María, Av. España 1680, Valparaíso (Chile); Guzmán, D. [Departamento de Ingeniería en Metalurgia, Facultad de Ingeniería, Universidad de Atacama y Centro Regional de Investigación y Desarrollo Sustentable de Atacama (CRIDESAT), Av. Copayapu 485, Copiapó (Chile); Castro, F.; Martínez, V.; Cuevas, F. de las [Centro de Estudios e Investigaciones Técnicas de Gipuzkoa, Paseo de Manuel Lardizábal, N° 15, 20018 San Sebastián (Spain); Lascano, S. [Departamento de Ingeniería Mecánica, Universidad Técnica Federico Santa María, Av. España 1680, Valparaíso (Chile); Muthiah, T. [Departamento de Ingeniería Metalúrgica y Materiales, Universidad Técnica Federico Santa María, Av. España 1680, Valparaíso (Chile)

2014-08-01

This work discusses the extension of solid solubility of Cr and Mo in Cu processed by mechanical alloying. Three alloys processed, Cu–5Cr–5Mo, Cu–10Cr–10Mo and Cu–15Cr–15Mo (weight%) using a SPEX mill. Gibbs free energy of mixing values 10, 15 and 20 kJ mol{sup −1} were calculated for these three alloys respectively by using the Miedema's model. The crystallite size decreases and dislocation density increases when the milling time increases, so Gibbs free energy storage in powders increases by the presence of crystalline defects. The energy produced by crystallite boundaries and strain dislocations were estimated and compared with Gibbs free energy of mixing values. The energy storage values by the presence of crystalline defects were higher than Gibbs free energy of mixing at 120 h for Cu–5Cr–5Mo, 130 h for Cu–10Cr–10Mo and 150 h for Cu–15Cr–15Mo. During milling, crystalline defects are produced that increases the Gibbs free energy storage and thus the Gibbs free energy curves are moved upwards and hence the solubility limit changes. Therefore, the three alloys form solid solutions after these milling time, which are supported with the XRD results. - Highlights: • Extension of solid solution Cr and Mo in Cu achieved by mechanical alloying. • X-ray characterization of Cu–Cr–Mo system processed by mechanical alloying. • Thermodynamics analysis of formation of solid solution of the Cu–Cr–Mo system.

Phase relations and Gibbs energies of spinel phases and solid solutions in the system Mg-Rh-O

Energy Technology Data Exchange (ETDEWEB)

Jacob, K.T., E-mail: katob@materials.iisc.ernet.in [Department of Materials Engineering, Indian Institute of Science, Bangalore 560 012 (India); Prusty, Debadutta [Department of Materials Engineering, Indian Institute of Science, Bangalore 560 012 (India); Kale, G.M. [Institute for Materials Research, University of Leeds, Leeds, LS2 9JT (United Kingdom)

2012-02-05

Highlights: Black-Right-Pointing-Pointer Refinement of phase diagram for the system Mg-Rh-O and thermodynamic data for spinel compounds MgRh{sub 2}O{sub 4} and Mg{sub 2}RhO{sub 4} is presented. Black-Right-Pointing-Pointer A solid-state electrochemical cell is used for thermodynamic measurement. Black-Right-Pointing-Pointer An advanced design of the solid-state electrochemical cell incorporating buffer electrodes is deployed to minimize polarization of working electrode. Black-Right-Pointing-Pointer Regular solution model for the spinel solid solution MgRh{sub 2}O{sub 4} - Mg{sub 2}RhO{sub 4} based on ideal mixing of cations on the octahedral site is proposed. Black-Right-Pointing-Pointer Factors responsible for stabilization of tetravalent rhodium in spinel compounds are identified. - Abstract: Pure stoichiometric MgRh{sub 2}O{sub 4} could not be prepared by solid state reaction from an equimolar mixture of MgO and Rh{sub 2}O{sub 3} in air. The spinel phase formed always contained excess of Mg and traces of Rh or Rh{sub 2}O{sub 3}. The spinel phase can be considered as a solid solution of Mg{sub 2}RhO{sub 4} in MgRh{sub 2}O{sub 4}. The compositions of the spinel solid solution in equilibrium with different phases in the ternary system Mg-Rh-O were determined by electron probe microanalysis. The oxygen potential established by the equilibrium between Rh + MgO + Mg{sub 1+x}Rh{sub 2-x}O{sub 4} was measured as a function of temperature using a solid-state cell incorporating yttria-stabilized zirconia as an electrolyte and pure oxygen at 0.1 MPa as the reference electrode. To avoid polarization of the working electrode during the measurements, an improved design of the cell with a buffer electrode was used. The standard Gibbs energies of formation of MgRh{sub 2}O{sub 4} and Mg{sub 2}RhO{sub 4} were deduced from the measured electromotive force (e.m.f.) by invoking a model for the spinel solid solution. The parameters of the model were optimized using the measured

Solubility behaviour of antimony(III) and antimony(V) solids in basic aqueous solutions at 300{sup o}C

Energy Technology Data Exchange (ETDEWEB)

Lemire, R.J.; Tosello, N.B.; Halliday, J.D

1999-12-01

The major contributions of the isotopes {sup 122}Sb and {sup 124}Sb to activity transport in a CANDU reactor primary heat transport system (HTS), have been associated with oxygen ingress during reactor shutdown. As part of a program to minimize the release and redeposition of these isotopes, the solubilities of antimony(III) and (V) oxides and salts have been measured in basic solutions at temperatures from 25 to 300{sup o}C. The results provide information on the charge and the stability as a function of temperature of antimony solution species and, hence, a guide to the trends in the temperature dependence of the solubilities of antimony solids. In solutions in which oxidation of antimony(III) to antimony(V) is minimized, the solubility of Sb{sub 2}O{sub 3} increases by about two orders of magnitude between 25 and 200{sup o}C, and then levels out or decreases slightly. At 250{sup o}C, in oxidizing solutions, Sb{sub 2}O{sub 5}{center_dot}xH{sub 2}O and simple sodium antimonate(V) were found to be unstable in sodium hydroxide solutions with respect to the solid, Na{sub 2{alpha}}[H(H{sub 2}O)]{sub 2-2{alpha}}Sb{sub 2}O{sub 6}, which has a pyrochlore structure. The solubility of this partially protonated sodium antimonate increases from 25 to 200{sup o}C and decreases at temperatures above 250{sup o}C. These solubility changes for the antimony (V) solids reflect changes in the stability of the anionic antimony solution species (SbO{sub 3}{sup -} or Sb(OH){sub 6}{sup -}), even though the compositions of antimony-containing solids in basic oxidizing solutions are strongly dependent on the cations and their aqueous phase concentrations. All solids used in the present experiments would be expected to generate total solution antimony concentrations {>=} 0.00005 mol{center_dot}dm{sup -3} in any neutral or basic aqueous solutions (assuming no added sodium salts). Therefore, under HTS conditions, precipitation of any antimony oxides or mixed oxides is unlikely. It cannot be

Geological constraints on the thermodynamic properties of the stilbite - stellerite solid solution in low-grade metabasalts

Science.gov (United States)

Fridriksson, Thráinn; Neuhoff, Philip S.; Arnórsson, Stefán; Bird, Dennis K.

2001-11-01

Standard state thermodynamic data for stilbite (Ca2NaAl5Si13O36∗16H2O) and stellerite (Ca2Al4Si14O36∗14H2O), together with mixing properties of the stilbite -stellerite solid solution (stilbite SS) are derived through assessment of geological observations of stilbite SS compositions in metabasalts, experimental phase equilibria, and calorimetric observations. Measured compositions of stilbite SS in Tertiary metabasalts in Iceland and Icelandic geothermal systems change systematically towards the stellerite endmember with increasing stratigraphic depth and temperature. Standard molal volumes, heat capacities, and entropies for the endmembers of the solid solution are derived through critical review of published crystallographic and calorimetric data for natural stilbite SS. Standard molal Gibbs energies of formation at 298.15 K and 1 bar for stilbite (-4,946,475cal mol-1) and stellerite (-4,762,036 cal mol-1) and the mixing properties of the solid solution are retrieved from observed phase- and compositional-relations in metabasalts at Berufjördur, Iceland, measured temperatures of zeolite mineral distribution in active geothermal systems, and published observations of reversed phase equilibria. Mixing in stilbite SS can be described with an athermal solid solution model. Thermodynamic data resulting from our analysis provide close correlation between compositions of stilbite SS in Icelandic geothermal systems predicted from compositions of geothermal solutions and observed compositions of these minerals in low-grade metabasalts of Iceland, as well as the observed temperature of the stilbite SS to laumontite (leonhardite) transition in Icelandic geothermal systems. Stilbite SS composition in metabasalts is a sensitive function of temperature, fluid composition, coexisting minerals (especially silica polymorphs) and geothermal gradient.

Hydrogen storage in TiCr1.2(FeV)x BCC solid solutions

International Nuclear Information System (INIS)

Santos, Sydney F.; Huot, Jacques

2009-01-01

The Ti-V-based BCC solid solutions have been considered attractive candidates for hydrogen storage due to their relatively large hydrogen absorbing capacities near room temperature. In spite of this, improvements of some issues should be achieved to allow the technological applications of these alloys. Higher reversible hydrogen storage capacity, decreasing the hysteresis of PCI curves, and decrease in the cost of the raw materials are needed. In the case of vanadium-rich BCC solid solutions, which usually have large hydrogen storage capacities, the search for raw materials with lower cost is mandatory since pure vanadium is quite expensive. Recently, the substitutions of vanadium in these alloys have been tried and some interesting results were achieved by replacing vanadium by commercial ferrovanadium (FeV) alloy. In the present work, this approach was also adopted and TiCr 1.2 (FeV) x alloy series was investigated. The XRD patterns showed the co-existence of a BCC solid solution and a C14 Laves phase in these alloys. SEM analysis showed the alloys consisted of dendritic microstructure and C14 colonies. The amount of C14 phase increases when the amount of (FeV) decreases in these alloys. Concerning the hydrogen storage, the best results were obtained for the TiCr 1.2 (FeV) 0.4 alloy, which achieved 2.79 mass% of hydrogen storage capacity and 1.36 mass% of reversible hydrogen storage capacity

Four Thermochromic o-Hydroxy Schiff Bases of α-Aminodiphenylmethane: Solution and Solid State Study

Directory of Open Access Journals (Sweden)

Marija Zbačnik

2017-01-01

Full Text Available More than a hundred years after the first studies of the photo- and thermochromism of o-hydroxy Schiff bases (imines, it is still an intriguing topic that fascinates several research groups around the world. The reasons for such behavior are still under investigation, and this work is a part of it. We report the solution-based and mechanochemical synthesis of four o-hydroxy imines derived from α-aminodiphenylmethane. The thermochromic properties were studied for the single crystal and polycrystalline samples of the imines. The supramolecular impact on the keto-enol tautomerism in the solid state was studied using SCXRD and NMR, while NMR spectroscopy was used for the solution state. All four imines are thermochromic, although the color changes of the single crystals are not as strong as of the polycrystalline samples. One of the imines shows negative thermochromism, and that one is in keto-amine tautomeric form, both in the solid state as in solution.

Kinetics and thermodynamics of the dissolution of Th1-xMxO2 solid solutions (M = U, Pu)

International Nuclear Information System (INIS)

Hubert, S.; Heisbourg, G.; Dacheux, N.; Moisy, Ph.; Purans, J.

2004-01-01

Kinetics of the dissolution of Th 1-x M x O 2 (M = U, Pu) solid solutions was investigated as a function of several chemical parameters such as pH, substitution ratio, temperature, ionic strength, and electrolyte. Several compositions of Th 1-x U x O 2 and Th 1-x Pu x O 2 were synthesized and characterized before and after leaching by using several methods such as XRD, EXAFS, BET, PIXE, SEM, and XPS. Leaching tests were performed in nitric, hydrochloric or sulfuric media and groundwater. The normalized dissolution rates were evaluated for Th 1-x U x O 2 , and Th 0.88 Pu 0.12 O 2 leading to the determination of the partial order related to the proton concentration, n, and to the corresponding normalized dissolution rate constant at pH = 0, k'T. While for Th enriched solids, the solid solutions Th 1-x U x O 2 have the same dissolution behaviour than ThO 2 with a partial order n ∼ 0.3, in the case of uranium enriched solids, Th 1-x U x O 2 has the same dissolution behaviour than UO 2 with a partial order of n = 1, indicating that uranium oxidation rate becomes the limiting step of the dissolution process. The stoichiometry of the release of both actinides (U or Pu, Th) was verified until the precipitation of thorium occurred in the leachate for pH > 2, while uranium was released in the solution as an uranyl form. For uranium enriched solid solutions, thermodynamic equilibrium was reached after 100 days, and solubility constant of secondary phase was determined. In the case of Th 1-x Pu x O 2 , the dissolution behaviour is similar to that of ThO 2 , but only kinetic aspect of the dissolution can be studied. From the analysis of XPS and EXAFS data on leached and un-leached Th 1-x U x O 2 samples, the dissolution mechanism of solid solutions was explained and will be discussed. The role of the electrolytes on the dissolution of the solid solutions is discussed. Kinetics parameters of dissolution are also given in groundwater and in neutral media

Solid-solution-like ZnO/C composites as excellent anode materials for lithium ion batteries

International Nuclear Information System (INIS)

Zhang, Guanhua; Zhang, Hang; Zhang, Xiang; Zeng, Wei; Su, Qingmei; Du, Gaohui; Duan, Huigao

2015-01-01

Exploring advanced anode materials to maximize the capacity of lithium ion batteries has been an active research area for decades. Constructing composites materials has been proved to be one of the most effective methods to achieve higher capacity due to the synergistic effect. In this work, we proposed and demonstrated a concept of solid-solution-like ZnO/C composites to approach the largest possible synergistic effect by introducing the most interfaces and minimizing the pulverization. The solid-solution-like ZnO/C electrode could achieve a high reversible capacity of 813.3 mAh g −1 at a current density of 100 mA g −1 after 100 cycles with a decrease rate of only 0.4% per cycle. Moreover, the discharge capacity still maintained 53.5% of the original value even when the current density increased to 40 times as much as the original, showing a distinguished rate performance. In addition, such solid-solution-like nanofibers can be easily prepared because of their compatibility with the existing industrial PAN-based spinning process. This may pave the way to mass produce lithium ion batteries with significantly enhanced performance using existing low-cost commercial facilities and recipes.

Sorption and desorption of cesium and strontium on TA-2 and TA-41 soils and sediments

International Nuclear Information System (INIS)

Kung, K. Stephen; Li, Benjamin W.; Longmire, P.A.; Fowler, M.M.

1996-04-01

Current environmental monitoring has detected radioactive contaminants in alluvial groundwater, soils, and sediments in the TA-2 and TA-41 areas along the north central edge of Los Alamos National Laboratory. Because of this contamination, this study was initiated. The objective of this study is to quantify the sorptivity of cesium and strontium onto TA-2 and TA-41 site specific soil samples under a controlled environment in the laboratory. The purposes of this work are to determine cesium and strontium sorption coefficient for these sit specific soils and to evaluate the potential transport of cesium and strontium. Based on this information, a risk assessment and remediation strategy can be developed

A Review of Solid-Solution Models of High-Entropy Alloys Based on Ab Initio Calculations

Directory of Open Access Journals (Sweden)

Fuyang Tian

2017-11-01

Full Text Available Similar to the importance of XRD in experiments, ab initio calculations, as a powerful tool, have been applied to predict the new potential materials and investigate the intrinsic properties of materials in theory. As a typical solid-solution material, the large degree of uncertainty of high-entropy alloys (HEAs results in the difficulty of ab initio calculations application to HEAs. The present review focuses on the available ab initio based solid-solution models (virtual lattice approximation, coherent potential approximation, special quasirandom structure, similar local atomic environment, maximum-entropy method, and hybrid Monte Carlo/molecular dynamics and their applications and limits in single phase HEAs.

Removing polysaccharides-and saccharides-related coloring impurities in alkyl polyglycosides by bleaching with the H2O2/TAED/NaHCO3 system.

Science.gov (United States)

Yanmei, Liu; Jinliang, Tao; Jiao, Sun; Wenyi, Chen

2014-11-04

The effect of H2O2/TAED/NaHCO3 system, namely NaHCO3 as alkaline agent with the (tetra acetyl ethylene diamine (TAED)) TAED-activated peroxide system, bleaching of alkyl polyglycosides solution was studied by spectrophotometry. The results showed that the optimal bleaching conditions about H2O2/TAED/NaHCO3 system bleaching of alkyl polyglycosides solution were as follows: molar ratio of TAED to H2O2 was 0.06, addition of H2O2 was 8.6%, addition of NaHCO3 was 3.2%, bleaching temperature of 50-65 °C, addition of MgO was 0.13%, and bleaching time was 8h. If too much amount of NaHCO3 was added to the system and maintained alkaline pH, the bleaching effect would be greatly reduced. Fixing molar ratio of TAED to H2O2 and increasing the amount of H2O2 were beneficial to improve the whiteness of alkyl polyglycosides, but adding too much amount of H2O2 would reduce the transparency. In the TAED-activated peroxide system, NaHCO3 as alkaline agent and buffer agent, could overcome the disadvantage of producing black precipitates when NaOH as alkaline agent. Copyright © 2014 Elsevier Ltd. All rights reserved.

Electric-field gradients at Ta donor impurities in Cr2O3(Ta) semiconductor

International Nuclear Information System (INIS)

Darriba, G.N.; Errico, L.A.; Munoz, E.L; Richard, D.; Eversheim, P.D.; Renteria, M.

2009-01-01

We report perturbed-angular-correlation (PAC) experiments on 181 Hf(→ 181 Ta)-implanted corundum Cr 2 O 3 powder samples in order to determine the magnitude and symmetry of the electric-field gradient (EFG) tensor at Ta donor impurity sites of this semiconductor. These results are analyzed in the framework of ab initio full-potential augmented-plane wave plus local orbitals (FP-APW+lo) calculations. The results are also compared with EFG results coming from PAC experiments in isomorphous α-Al 2 O 3 and α-Fe 2 O 3 doped with 111 In→ 111 Cd and 181 Hf→ 181 Ta tracers. This combined analysis enables us to quantify the magnitude of the lattice relaxations induced by the presence of the impurity and to determine the charge state of the impurity donor level introduced by Ta in the band gap of the semiconductor.

CONDENSED MATTER: STRUCTURE, MECHANICAL AND THERMAL PROPERTIES: Molecular Dynamics Study of Stability of Solid Solutions and Amorphous Phase in the Cu-Al System

Science.gov (United States)

Yang, Bin; Lai, Wen-Sheng

2009-06-01

The relative stability of fcc and bcc solid solutions and amorphous phase with different compositions in the Cu-Al system is studied by molecular dynamics simulations with n-body potentials. For Cu1-xAlx alloys, the calculations show that the fcc solid solution has the lowest energies in the composition region with x 0.72, while the bee solid solution has the lowest energies in the central composition range, in agreement with the ball-milling experiments that a single bcc solid solution with 0.30 < x < 0.70 is obtained. The evolution of structures in solid solutions and amorphous phase is studied by the coordination number (CN) and bond-length analysis so as to unveil the underlying physics. It is found that the energy sequence among three phases is determined by the competition in energy change originating from the bond length and CNs (or the number of bonds).

Produksi Hidrogen Secara Fotokalitik dari Air Murni Pada Katalis NaTaO3

Directory of Open Access Journals (Sweden)

Husni Husin

2012-12-01

Full Text Available Study of hydrogen production as a green energy on NaTaO3 photocatalyst has been done. The aim of this work is to study the photocatalytic properties of NaTaO3 and NiO incorporated NaTaO3 used in water splitting reaction. The NaTaO3 powder with high crystallinity has been synthesized by a H2O2-asissted sol-gel route calcined at a temperature of 900 oC. NiO as a cocatalyst is deposited by impregnation of Ni(NO32.6H2O solution. The catalysts are characterized by X-ray diffraction (XRD, scanning electron microscopy (SEM, high resolution transmission electron microscopy (HRTEM, and diffuse reflectance UV-Vis (DR-UV-Vis. The photocatalysts have a band gap energy ca. 4.01 and 4.00 eV (corresponding to absorption edge of 310 and 311 nm. Photocatalytic activity towards hydrogen generation from water is investigated using a glass reactor under ultra violet (UV light illumination. Photocatalytic of H2 and O2 production on the pristine NaTaO3 are 0.61 and 0.30 mmol g-1 cat.h-1, respectively. The activities are greatly enhanced 8.5 times higher by the incorporation of NiO as cocatalysts on the prepared oxides. NiO is found to give rise to more efficient photocatalytic activity for hydrogen evolution. The NaTaO3 nanoparticles produces using this facile have: better crystallinity, smaller size, and higher photocatalytic activity. Keywords: Sodium tantalum oxide; Nickel oxide; Sol-gel; impregnation; Hydrogen evolution

Combined experimental and theoretical assessments of the lattice dynamics and optoelectronics of TaON and Ta{sub 3}N{sub 5}

Energy Technology Data Exchange (ETDEWEB)

Nurlaela, Ela; Harb, Moussab [Division of Physical Sciences and Engineering, KAUST Catalysis Center (KCC), King Abdullah University of Science and Technology (KAUST), 4700 KAUST, Thuwal 23955-6900 Saudi Arabia (Saudi Arabia); Gobbo, Silvano del [Solar and Photovoltaic Engineering Center, King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900 (Saudi Arabia); Vashishta, Manish [Division of Physical Sciences and Engineering, KAUST Catalysis Center (KCC), King Abdullah University of Science and Technology (KAUST), 4700 KAUST, Thuwal 23955-6900 Saudi Arabia (Saudi Arabia); Takanabe, Kazuhiro, E-mail: kazuhiro.takanabe@kaust.edu.sa [Division of Physical Sciences and Engineering, KAUST Catalysis Center (KCC), King Abdullah University of Science and Technology (KAUST), 4700 KAUST, Thuwal 23955-6900 Saudi Arabia (Saudi Arabia)

2015-09-15

Presented herein is a detailed discussion of the properties of the lattice dynamic and optoelectronic properties of tantalum(V) oxynitride (TaON) and tantalum(V) nitride (Ta{sub 3}N{sub 5}), from experimental and theoretical standpoint. The active Raman and infra red (IR) frequencies of TaON and Ta{sub 3}N{sub 5} were measured using confocal Raman and Fourier Transform Infrared spectroscopies (FTIR) and calculated using the linear response method within the density functional perturbation theory (DFPT). The detailed study leads to an exhaustive description of the spectra, including the symmetry of the vibrational modes. Electronic structures of these materials were computed using DFT within the range-separated hybrid HSE06 exchange–correlation formalism. Electronic and ionic contributions to the dielectric constant tensors of these materials were obtained from DFPT within the linear response method using the PBE functional. Furthermore, effective mass of photogenerated holes and electrons at the band edges of these compounds were computed from the electronic band structure obtained at the DFT/HSE06 level of theory. The results suggest that anisotropic nature in TaON and Ta{sub 3}N{sub 5} is present in terms of dielectric constant and effective masses. - Graphical abstract: Detailed investigation has been conducted from combined experimental and theoretical approaches on Raman and IR spectroscopies, electronic structures, dielectric constants and effective masses of TaON and Ta{sub 3}N{sub 5}. - Highlights: • Crystal structures of TaON and Ta{sub 3}N{sub 5} are discussed based on XRD and DFT calculation. • Raman and IR spectra of TaON and Ta{sub 3}N{sub 5} materials are measured and computed by DFPT method. • Optoelectronic properties of TaON and Ta{sub 3}N{sub 5} are discussed. • Dielectric constant and effective masses of TaON and Ta{sub 3}N{sub 5} are calculated.

Np(V) carbonates in solid state and aqueous solution

International Nuclear Information System (INIS)

Meinrath, G.

1994-01-01

The solubility of NaNpO 2 CO 3 (s) in 0.1M perchlorate solution at 25 deg C in equilibrium with 1.0% CO 2 /N 2 atmosphere has been investigated as a function of pH/lg [CO 3 2- ]. The solid phase was found hexagonal with a=1008.1±0.3 pm and c=991.1±0.2 pm. A solubility product of lg Ksp(NaNpO 2 CO 3 ) = -10.22±0.02 and a formation constant of the first Np(V) carbonato species of lg β 01 = 4.52±0.02 was evaluated. For the dicarbonato species an upper limit of lg lg β 02 2 partial pressure gave evidence that carbonato species are prevailing in solutions at both 1% and 0.03% CO 2 partial pressures. (author) 26 refs.; 4 figs.; 3 tabs

New ternary tantalum borides containing boron dumbbells: Experimental and theoretical studies of Ta2OsB2 and TaRuB

International Nuclear Information System (INIS)

Mbarki, Mohammed; Touzani, Rachid St.; Rehorn, Christian W.G.; Gladisch, Fabian C.; Fokwa, Boniface P.T.

2016-01-01

The new ternary transition metal-rich borides Ta 2 OsB 2 and TaRuB have been successfully synthesized by arc-melting the elements in a water-cooled crucible under an argon atmosphere. The crystal structures of both compounds were solved by single-crystal X-ray diffraction and their metal compositions were confirmed by EDX analysis. It was found that Ta 2 OsB 2 and TaRuB crystallize in the tetragonal Nb 2 OsB 2 (space group P4/mnc, no. 128) and the orthorhombic NbRuB (space group Pmma, no. 51) structure types with lattice parameters a=5.878(2) Å, c=6.857(2) Å and a=10.806(2) Å, b=3.196(1) Å, c=6.312(2) Å, respectively. Furthermore, crystallographic, electronic and bonding characteristics have been studied by density functional theory (DFT). Electronic structure relaxation has confirmed the crystallographic parameters while COHP bonding analysis indicates that B 2 -dummbells are the strongest bonds in both compounds. Moreover, the formation of osmium dumbbells in Ta 2 OsB 2 through a Peierls distortion along the c-axis, is found to be the origin of superstructure formation. Magnetic susceptibility measurements reveal that the two phases are Pauli paramagnets, thus confirming the theoretical DOS prediction of metallic character. Also hints of superconductivity are found in the two phases, however lack of single phase samples has prevented confirmation. Furthermore, the thermodynamic stability of the two modifications of AMB (A=Nb, Ta; M =Ru, Os) are studied using DFT, as new possible phases containing either B 4 - or B 2 -units are predicted, the former being the most thermodynamically stable modification. - Graphical abstract: The two new ternary tantalum borides, Ta 2 OsB 2 and TaRuB, have been discovered. Their crystal structures contain boron dumbbells, which are the strongest bonds. Peirls distortion is found responsible for Os 2 -dumbbells formation in Ta 2 OsB 2 . Ta 2 OsB 2 and TaRuB are Pauli paramagnet and potential superconductors. - Highlights: �

Detailed structural characterization of the grafting of [Ta(=CHtBu)(CH2tBu)3] and [Cp*TaMe4] on silica partially dehydroxylated at 700 C and the activity of the grafted complexes toward alkane metathesis

Energy Technology Data Exchange (ETDEWEB)

Le Roux, Erwan; Chabanas, Mathieu; Baudouin, Anne; de Mallmann, Aimery; Coperet, Christophe; Quadrelli, E. Allesandra; Thivolle-Cazat, Jean; Basset, Jean-Marie; Lukens, Wayne; Lesage, Anne; Emsley, Lyndon; Sunley, Glenn J.

2004-08-30

The reaction of [Ta({double_bond}CHtBu)(CH{sub 2}tBu){sub 3}] or [Cp*Ta(CH{sub 3}){sub 4}] with a silica partially dehydroxylated at 700 C gives the corresponding monosiloxy surface complexes [({triple_bond}SiO)Ta({double_bond}CHtBu)(CH{sub 2}tBu){sub 2}] and [({triple_bond}SiO)Ta(CH{sub 3}){sub 3}Cp*] by eliminating a {sigma}-bonded ligand as the corresponding alkane (H-CH{sub 2}tBu or H-CH{sub 3}). EXAFS data show that an adjacent siloxane bridge of the surface plays the role of an extra surface ligand, which most likely stabilizes these complexes as in [({triple_bond}SiO)Ta({double_bond}CHtBu)(CH{sub 2}tBu){sub 2}({triple_bond}SiOSi{triple_bond})] (1a') and [({triple_bond}SiO)Ta(CH{sub 3}){sub 3}Cp*({triple_bond}SiOSi{triple_bond})] (2a'). In the case of [({triple_bond}SiO)Ta({double_bond}CHtBu)(CH{sub 2}tBu){sub 2}({triple_bond}SiOSi{triple_bond})], the structure is further stabilized by an additional interaction: a C-H agostic bond as evidenced by the small J coupling constant for the carbenic C-H (H{sub C-H} = 80 Hz), which was measured by J-resolved 2D solid-state NMR spectroscopy. The product selectivity in propane metathesis in the presence of [({triple_bond}SiO)Ta({double_bond}CHtBu)-(CH{sub 2}tBu){sub 2}({triple_bond}SiOSi{triple_bond})] (1a') as a catalyst precursor and the inactivity of the surface complex [({triple_bond}SiO)Ta-(CH{sub 3}){sub 3}Cp*({triple_bond}SiOSi{triple_bond})] (2a') show that the active site is required to be highly electrophilic and probably involves a metallacyclobutane intermediate.

Exchange reactions in the systems of alkali metal, silver and thallium, sulfates, niobates and tantalates

International Nuclear Information System (INIS)

Belyaev, I.N.; Lupejko, T.G.; Nalbandyan, V.B.; Abanina, E.V.

1978-01-01

Investigated are exchange interactions in diagonal cross sections of twenty triple mutual systems with A and A' cations and SO 4 and MO 3 anions where A and A'-Li, Na, K, Ag, Tl, M-Nb, Ta using the methods of X-ray phase, chemical and differential thermal analyses. Exchange reaction between crystal complex oxide and melted salt are effective synthesis method. These reactions in particular permitted to obtain pure AgNbO 3 , AgTaO 3 and their solid solutions at temperatures hundreds degrees lower than in displacement reactions. Equilibrium samples of AMO 3 -A'MO 3 systems, continuous or discontinuous solid solutions, compounds (except NaMO 3 -KMO 3 , and also LiTaO 3 -KTaO 3 ) are formed in exchange reactions when there is sulfate shortage. Thus, exchange reactions can be applied for solid solution synthesis, and also for phase diagram study

Tuning the effective parameters in (Ta/Cu/[Ni/Co]x/Ta) multilayers with perpendicular magnetic anisotropy

Science.gov (United States)

Ayareh, Zohreh; Moradi, Mehrdad; Mahmoodi, Saman

2018-06-01

In this paper, we report perpendicular magnetic anisotropy (PMA) in a (Ta/Cu/[Ni/Co]x/Ta) multilayers structure. These typical structures usually include a multilayer of ferromagnetic and transition metal thin films. Usually, magnetic anisotropy is characterized by magnetization loops determined by magnetometer or magneto-optical Kerr effect (MOKE). The interface between ferromagnetic and metallic layers plays an important role in magnetic anisotropy evolution from out-of-plane to in-plane in (Ta/Cu/[Ni/Co]/Ta) structure. Obtained results from MOKE and magnetometry of these samples show that they have different easy axes due to change in thickness of Cu as spacer layer and difference in number of repetition of [Ni/Co] stacks.

Solution and solid-phase halogen and C-H hydrogen bonding to perrhenate.

Science.gov (United States)

Massena, Casey J; Riel, Asia Marie S; Neuhaus, George F; Decato, Daniel A; Berryman, Orion B

2015-01-28

(1)H NMR spectroscopic and X-ray crystallographic investigations of a 1,3-bis(4-ethynyl-3-iodopyridinium)benzene scaffold with perrhenate reveal strong halogen bonding in solution, and bidentate association in the solid state. A nearly isostructural host molecule demonstrates significant C-H hydrogen bonding to perrhenate in the same phases.

Ta penetration into template-type porous low-k material during atomic layer deposition of TaN

International Nuclear Information System (INIS)

Furuya, Akira; Ohtsuka, Nobuyuki; Misawa, Kaori; Shimada, Miyoko; Ogawa, Shinichi

2005-01-01

Ta penetration into a planar template-type porous low-k film during atomic layer deposition of TaN has been investigated by evaluating relations between Ta penetration and number of deposition cycles, exposure time of Ta precursor per deposition cycle, substrate temperature, and porosity of the porous low-k. The precursors were pentakisdimethylaminotantalum [PDMAT:Ta(N(CH 3 ) 2 ) 5 ] and NH 3 . The porous low-k was a methylsiloxane (MSX) whose pore size in the maximum distribution and porosity of the porous low-k were 0-1.9 nm and 0%-47%. Depth profile of the Ta penetration was measured by transmission electron microscopy and energy dispersive x-ray spectroscopy. The amount of penetrated and the penetration depth depended on the porosity. It was found that the precursors penetrate into the MSX film dominantly by gas phase diffusion through pores connecting from the surface to the inside. Increased surface area of the MSX film due to the pores results in a depletion of precursor at the wafer edge, and that this depletion causes the penetration characteristics at the edge of wafer differ from those at the center of the wafer. Moreover, the thickness required for the pore sealing by additive liner deposition is discussed

Ca{sub 2−x}Li{sub 2x}GeO{sub 4} solid solutions. Chemical composition range and flux crystal growth

Energy Technology Data Exchange (ETDEWEB)

Ivanov, V.A. [N.I. Lobachevsky State University of Nizhni Novgorod, Nizhni Novgorod, 603950 (Russian Federation); Marychev, M.O., E-mail: marychev@yandex.ru [N.I. Lobachevsky State University of Nizhni Novgorod, Nizhni Novgorod, 603950 (Russian Federation); Andreev, P.V.; Lykov, V.A.; Faddeev, M.A. [N.I. Lobachevsky State University of Nizhni Novgorod, Nizhni Novgorod, 603950 (Russian Federation); Koseva, I. [Bulgarian Academy of Science, Institute of General and Inorganic Chemistry, BU-1113 Sofia (Bulgaria); Nikolov, V. [N.I. Lobachevsky State University of Nizhni Novgorod, Nizhni Novgorod, 603950 (Russian Federation)

2015-11-01

A series of Ca{sub 2−x}Li{sub 2x}GeO{sub 4} specimens with 0 < 2x < 2, were synthesized by the classical solid state method. X-ray analysis revealed that for 0 < 2x < 0.6 only Ca{sub 2−x}Li{sub 2x}GeO{sub 4} solid solutions of Ca{sub 2}GeO{sub 4} structure crystallized. The cell parameters of these solid solutions linearly decreased upon increasing the lithium concentration, which means that the solutions are in accordance with the Vegard's law. For 2x > 0.6 the specimens contained two phases: (i) Ca{sub 2−x}Li{sub 2x}GeO{sub 4} solid solutions with maximum lithium concentration approximately equal to that for 2x = 0.6 and minimum values of the cell parameters and (ii) Li{sub 2}CaGeO{sub 4} phase. Li{sub 2}O·MoO{sub 3}–Ca{sub 2}GeO{sub 4} high-temperature solutions were used to grow Ca{sub 2−x}Li{sub 2x}GeO{sub 4} solid solutions and Li{sub 2}CaGeO{sub 4} single crystals by the high temperature solution (flux) method. Li{sub 2}CaGeO{sub 4} crystals were grown in the concentration range 8–26 wt. % Ca{sub 2}GeO{sub 4} in the temperature range 830–980 °C. Crystals with chemical compositions of the Ca{sub 2−x}Li{sub 2x}GeO{sub 4} solid solutions with different Li concentrations were grown in the concentration range 26–40 wt. % Ca{sub 2}GeO{sub 4} in the temperature range 980–1090 °C. - Highlights: • Ca{sub 2−x}Li{sub 2x}GeO{sub 4} solid solutions are established for the first time. • The Li concentration range into the solutions is between 0 and 0.6. • The solid solutions are in accordance to Vegard's law. • Suitable solutions are found out for Ca{sub 2−x}Li{sub 2x}GeO{sub 4} and Li{sub 2}CaGeO{sub 4} crystal growth.

Thin TaC layer produced by ion mixing

DEFF Research Database (Denmark)

Barna, Árpád; Kotis, László; Pécz, Béla

2012-01-01

in strongly asymmetric ion mixing; the carbon was readily transported to the Ta layer, while the reverse process was much weaker. Because of the asymmetrical transport the C/TaC interface remained sharp independently from the applied fluence. The carbon transported to the Ta layer formed Ta......Ion-beam mixing in C/Ta layered systems was investigated. C 8nm/Ta 12nm and C 20nm/Ta 19nm/C 20nm layer systems were irradiated by Ga+ ions of energy in the range of 2–30keV. In case of the 8nm and 20nm thick C cover layers applying 5–8keV and 20–30keV Ga+ ion energy, respectively resulted...

Correlation of Solid State and Solution Coordination Numbers with Infrared Spectroscopy in Five-, Six-, and Eight-Coordinate Transition Metal Complexes of DOTAM.

Science.gov (United States)

Nagata, Maika K C T; Brauchle, Paul S; Wang, Sen; Briggs, Sarah K; Hong, Young Soo; Laorenza, Daniel W; Lee, Andrea G; Westmoreland, T David

2016-08-16

Three new DOTAM (1,4,7,10-tetrakis(acetamido)-1,4,7,10-tetraazacyclododecane) complexes have been synthesized and characterized by X-ray crystallography: [Co(DOTAM)]Cl 2 •3H 2 O, [Ni(DOTAM)]Cl 2 •4H 2 O, and [Cu(DOTAM)](ClO 4 ) 2 •H 2 O. Solid state and solution IR spectroscopic features for a series of [M(DOTAM)] 2+ complexes (M=Mn, Co, Cu, Ni, Ca, Zn) correlate with solid state and solution coordination numbers. [Co(DOTAM)] 2+ , [Ni(DOTAM)] 2+ , and [Zn(DOTAM)] 2+ are demonstrated to be six-coordinate in both the solid state and in solution, while [Mn(DOTAM)] 2+ and [Ca(DOTAM)] 2+ are eight-coordinate in the solid state and remain so in solution. [Cu(DOTAM)] 2+ , which is five-coordinate by X-ray crystallography, is shown to increase its coordination number in solution to six-coordinate.

Structural and electrical manifestation of aging in thin-film Fe-Ta-O nanocomposite prepared by plasma jet technique

Czech Academy of Sciences Publication Activity Database

Lobotka, P.; Vávra, I.; Fendrych, František; Chayka, Oleksandr

2004-01-01

Roč. 201, č. 7 (2004), s. 1493-1499 ISSN 0031-8965 R&D Projects: GA AV ČR KSK1010104 Keywords : nanocomposite fils Fe-Ta-O * plasma jet * tunneling * electrical transport * magnetoresistance * ageing Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.860, year: 2004

Resonances in odd-odd 182Ta

Directory of Open Access Journals (Sweden)

Brits C.P.

2017-01-01

Full Text Available Enhanced γ-decay on the tail of the giant electric dipole resonance, such as the scissors or pygmy resonances, can have significant impact on (n,γ reaction rates. These rates are important input for modeling processes that take place in astrophysical environments and nuclear reactors. Recent results from the University of Oslo indicate the existence of a significant enhancement in the photon strength function for nuclei in the actinide region due to the scissors resonance. Further, the M1 strength distribution of the scissors resonances in rare earth nuclei has been studied extensively over the years. To investigate the evolution and persistence of the scissor resonance in other mass regions, an experiment was performed utilizing the NaI(Tl γ-ray detector array (CACTUS and silicon particle telescopes (SiRi at the University of Oslo Cyclotron laboratory. Particle-γ coincidences from the 181Ta(d,p182Ta and 181Ta(d,d'181Ta reactions were used to measure the nuclear level density and photon strength function of the well-deformed 181Ta and 182Ta systems, to investigate the existence of resonances below the neutron separation energy.

Analysis of phase formation in Ni-rich alloys of the Ni-Ta-W system by calorimetry, DTA, SEM, and TEM

Energy Technology Data Exchange (ETDEWEB)

Witusiewicz, V.T.; Hecht, U.; Warnken, N.; Fries, S.G. [Access e.V., Aachen (Germany); Hu Weiping [Inst. fuer Metallkunde und Metallphysik der RWTH Aachen (Germany)

2006-04-15

The partial enthalpies of dissolution of pure Ni, W and Ta in liquid ternary Ni-Ta-W alloys have been determined at (1773 {+-} 5) K using a high temperature isoperibolic calorimeter. Measurements were performed in Ni-rich alloys (from 80 to 100 at.% Ni) along sections with constant Ta:W atomic ratios 1:0, 2:1, 1:2, and 0:1. The partial enthalpies and thereby the integral enthalpy of mixing of these ternary alloys are calculated from the partial enthalpies of dissolution using SGTE Gibbs energies for pure elements as reference. The obtained thermochemical data confirm that in the investigated Ni-rich alloys the binary interactions between Ta and W as well as the ternary Ni-Ta-W interactions are negligibly small. Due to this the variation of the integral enthalpy of mixing of the ternary alloys is well described as linear combination of the constituent Ni-Ta and Ni-W binaries. Such behaviour of the ternary liquid alloys is related to a very low probability of new ternary stable phases to occur in solid state. This prediction is confirmed by differential thermal analysis, scanning electron microscopy, and transmission electron microscopy of the as-solidified and annealed samples obtained as last alloy compositions in the series of calorimetric dissolution. (orig.)

Coupling between magnetic and optical properties of stable Au-Fe solid solution nanoparticles

Energy Technology Data Exchange (ETDEWEB)

De Julian Fernandez, C; Novak, R L; Bogani, L; Caneschi, A [INSTM RU at the Department of Chemistry of the University of Firenze, via della Lastruccia 3, 50019 Sesto Fiorentino (Italy); Mattei, G; Mazzoldi, P [Department of Physics, CNISM and University of Padova, via Marzolo 8, 35131 Padova (Italy); Paz, E; Palomares, F J [Instituto de Ciencia de Materiales de Madrid (CSIC), Cantoblanco, 28049 Madrid (Spain); Cavigli, L, E-mail: cesar.dejulian@unifi.it [Department of Physics-LENS, University of Florence, via Sansone 1, 50019 Sesto Fiorentino (Italy)

2010-04-23

Au-Fe nanoparticles constitute one of the simplest prototypes of a multifunctional nanomaterial that can exhibit both magnetic and optical (plasmonic) properties. This solid solution, not feasible in the bulk phase diagram in thermal equilibrium, can be formed as a nanostructure by out-of-equilibrium processes. Here, the novel magnetic, optical and magneto-optical properties of ion-implanted Au-Fe solid solution nanoparticles dispersed in a SiO{sub 2} matrix are investigated and correlated. The surface plasmon resonance of the Au-Fe nanoparticles with almost equicomposition is strongly damped when compared to pure Au and to Au-rich Au-Fe nanoparticles. In all cases, the Au atoms are magnetically polarized, as measured by x-ray magnetic circular dichroism, and ferromagnetically coupled with Fe atoms. Although the chemical stability of Au-Fe nanoparticles is larger than that of Fe nanoparticles, both the magnetic moment per Fe atom and the order temperature are smaller. These results suggest that electronic and magnetic properties are more influenced by the hybridization of the electronic bands in the Au-Fe solid solution than by size effects. On the other hand, the magneto-optical transitions allowed in the vis-nIR spectral regions are very similar. In addition, we also observe, after studying the properties of thermally treated samples, that the Au-Fe alloy is stabilized, not by surface effects, but by the combination of the out-of-equilibrium nature of the ion implantation technique and by changes in the properties due to size effects.

Coupling between magnetic and optical properties of stable Au-Fe solid solution nanoparticles

International Nuclear Information System (INIS)

De Julian Fernandez, C; Novak, R L; Bogani, L; Caneschi, A; Mattei, G; Mazzoldi, P; Paz, E; Palomares, F J; Cavigli, L

2010-01-01

Au-Fe nanoparticles constitute one of the simplest prototypes of a multifunctional nanomaterial that can exhibit both magnetic and optical (plasmonic) properties. This solid solution, not feasible in the bulk phase diagram in thermal equilibrium, can be formed as a nanostructure by out-of-equilibrium processes. Here, the novel magnetic, optical and magneto-optical properties of ion-implanted Au-Fe solid solution nanoparticles dispersed in a SiO 2 matrix are investigated and correlated. The surface plasmon resonance of the Au-Fe nanoparticles with almost equicomposition is strongly damped when compared to pure Au and to Au-rich Au-Fe nanoparticles. In all cases, the Au atoms are magnetically polarized, as measured by x-ray magnetic circular dichroism, and ferromagnetically coupled with Fe atoms. Although the chemical stability of Au-Fe nanoparticles is larger than that of Fe nanoparticles, both the magnetic moment per Fe atom and the order temperature are smaller. These results suggest that electronic and magnetic properties are more influenced by the hybridization of the electronic bands in the Au-Fe solid solution than by size effects. On the other hand, the magneto-optical transitions allowed in the vis-nIR spectral regions are very similar. In addition, we also observe, after studying the properties of thermally treated samples, that the Au-Fe alloy is stabilized, not by surface effects, but by the combination of the out-of-equilibrium nature of the ion implantation technique and by changes in the properties due to size effects.

Coupling between magnetic and optical properties of stable Au-Fe solid solution nanoparticles

Science.gov (United States)

de Julián Fernández, C.; Mattei, G.; Paz, E.; Novak, R. L.; Cavigli, L.; Bogani, L.; Palomares, F. J.; Mazzoldi, P.; Caneschi, A.

2010-04-01

Au-Fe nanoparticles constitute one of the simplest prototypes of a multifunctional nanomaterial that can exhibit both magnetic and optical (plasmonic) properties. This solid solution, not feasible in the bulk phase diagram in thermal equilibrium, can be formed as a nanostructure by out-of-equilibrium processes. Here, the novel magnetic, optical and magneto-optical properties of ion-implanted Au-Fe solid solution nanoparticles dispersed in a SiO2 matrix are investigated and correlated. The surface plasmon resonance of the Au-Fe nanoparticles with almost equicomposition is strongly damped when compared to pure Au and to Au-rich Au-Fe nanoparticles. In all cases, the Au atoms are magnetically polarized, as measured by x-ray magnetic circular dichroism, and ferromagnetically coupled with Fe atoms. Although the chemical stability of Au-Fe nanoparticles is larger than that of Fe nanoparticles, both the magnetic moment per Fe atom and the order temperature are smaller. These results suggest that electronic and magnetic properties are more influenced by the hybridization of the electronic bands in the Au-Fe solid solution than by size effects. On the other hand, the magneto-optical transitions allowed in the vis-nIR spectral regions are very similar. In addition, we also observe, after studying the properties of thermally treated samples, that the Au-Fe alloy is stabilized, not by surface effects, but by the combination of the out-of-equilibrium nature of the ion implantation technique and by changes in the properties due to size effects.

Atomic mean-square displacements and the critical-voltage effect in cubic solid solutions

International Nuclear Information System (INIS)

Shirley, C.G.; Fisher, R.M.

1979-01-01

The critical-voltage phenomena observed in high-voltage electron microscope images of bend contours as well as in corresponding Kikuchi or convergent-beam diffraction patterns provide sensitive methods of determining submicroscopic alloy parameters such as Debye temperatures, short-range order, and atomic scattering factors. Only a very limited number of critical voltages can be observed in metal crystals in the voltage range usually available, 100 to 1200 kV, so that quantitative interpretation of the data must be based on a few-parameter model which incorporates all the pertinent factors. A satisfactory two-parameter model has been developed which can be used to interpret or compute the critical voltages of substitutional solid solutions as functions of composition, temperature and short-range order. In the alloy systems Fe-Cr, Ni-Au, Cu-Au and Cu-Al, sufficient critical voltage data are available to derive the model parameters which pertain to atomic bonding in the lattice. In addition to atomic scattering amplitudes, the critical voltage depends strongly on the atomic mean-square displacements. The static contribution to the mean-square displacements is large in alloys with large atomic-radius disparity, and is especially sensitive to short-range order in f.c.c. solid solutions. Well-defined best estimates for the model parameters are used to predict the critical voltage and its sensitivity to composition, temperature and short-range order for a large number of solid solutions. Systems for which critical-voltage studies may be of considerable interest are indicated. (author)

Ionic conductivity of LISICON solid solutions, Li 2+2 xZn 1- xGeO 4

Science.gov (United States)

Bruce, P. G.; West, A. R.

1982-10-01

The conductivity of LISICON γII-type solid solutions of general formula Li 2+2 xZn 1- xGeO 4 (-0.36 class of Li + ion conductors, was measured over the temperature range ˜25 to 300°C. Conductivities appear to be very composition dependent near the stoichiometric composition x = 0, but less so in the range 0.15 ≲ x ≲ 0.87. It is shown that interstitial Li + ions rather than cation vacancies give rise to high conductivities. The solid electrolyte properties and possible applications of the solid solutions are evaluated. The LISICON composition, x = 0.75, decomposes readily above ˜300°C by precipitation of Li 4GeO 4, thereby limiting its possible usefulness, but compositions in the range x = 0.45 to 0.55 appear to be stable at all temperatures. However, irreversible decreases in conductivity (aging effects) occur on annealing, even at room temperature. The conductivity data of quenched samples give linear Arrhenius plots, but with anomalously high prefactors, over the range ˜25 to 130°C; at higher temperatures reversible changes of slope to lower activation energies occur. A variety of minor polymorphic transitions occur on annealing γII solid solutions below ˜300°C and their relationship to the conductivity was also determined.

Lithium-ion storage capacitors achieved by CVD graphene/TaC/Ta-wires and carbon hollow spheres

International Nuclear Information System (INIS)

Zhao, Liwei; Li, Hongji; Li, Mingji; Xu, Sheng; Li, Cuiping; Qu, Changqing; Zhang, Lijun; Yang, Baohe

2016-01-01

Highlights: • Graphene/TaC/Ta wire electrode was prepared by CVD. • Carbon hollow spheres as a solid electrolyte were prepared by hydrothermal. • Specific capacitance of assembled capacitor reached 593 F g −1 at 10 A g −1 . • The capacitor provided high energy and power densities (132 W h kg −1 /3.17 kW kg −1 ). • The hybrid capacitor also exhibited a high stability during long endurance tests. - Abstract: Lithium-ion storage capacitors were assembled using graphene/tantalum carbide/tantalum wire electrodes and carbon hollow spheres as electrolyte. The graphene/tantalum carbide layers were prepared by electron-assisted hot filament chemical vapor deposition; the carbon hollow spheres were synthesized by hydrothermal reaction and pyrolysis treatment. The specific capacitance of the capacitor was 593 F g −1 at a current density of 10 A g −1 . The capacitor showed excellent cycling stability, retaining 91.2% of its initial capacitance after 8000 cycles. Moreover, the capacitor provided a high specific energy density of 132 W h kg −1 at a high power density of 3.17 kW kg −1 . The high energy density is attributed to the widened operation window ranging from 0 to 3.0 V. The graphene layer of the electrode and carbon hollow spheres in electrolyte synergistic affect influence on the electrochemical performance of the capacitor are discussed. In addition, the use of a low-cost lithium salt, lithium chloride, is also featured in this paper.

Improved creep strength of nickel-base superalloys by optimized γ/γ′ partitioning behavior of solid solution strengthening elements

International Nuclear Information System (INIS)

Pröbstle, M.; Neumeier, S.; Feldner, P.; Rettig, R.; Helmer, H.E.; Singer, R.F.; Göken, M.

2016-01-01

Solid solution strengthening of the γ matrix is one key factor for improving the creep strength of single crystal nickel-base superalloys at high temperatures. Therefore a strong partitioning of solid solution hardening elements to the matrix is beneficial for high temperature creep strength. Different Rhenium-free alloys which are derived from CMSX-4 are investigated. The alloys have been characterized regarding microstructure, phase compositions as well as creep strength. It is found that increasing the Titanium (Ti) as well as the Tungsten (W) content causes a stronger partitioning of the solid solution strengtheners, in particular W, to the γ phase. As a result the creep resistance is significantly improved. Based on these ideas, a Rhenium-free alloy with an optimized chemistry regarding the partitioning behavior of W is developed and validated in the present study. It shows comparable creep strength to the Rhenium containing second generation alloy CMSX-4 in the high temperature / low stress creep regime and is less prone to the formation of deleterious topologically close packed (TCP) phases. This more effective usage of solid solution strengtheners can enhance the creep properties of nickel-base superalloys while reducing the content of strategic elements like Rhenium.

Fabrication of Ta nanoparticles induced by nanosecond laser ablation in ethanol: the study of laser fluence effects

Science.gov (United States)

Azadi Kenari, Fariba; Moniri, Samira; Hantehzadeh, Mohammad Reza; Dorranian, Davoud; Ghoranneviss, Mahmood

2018-05-01

Tantalum nanoparticles (Ta NPs) were synthesized in ethanol solution by ablation with a 1064 nm Nd:YAG laser. Prepared NPs were investigated by UV-visible absorption spectroscopy, Transmission electron microscopy, X-ray diffraction and Photoluminescence measurement. The average sizes of NPs were calculated to be in the range of 12-18 nm. From the UV-visible studies, the plasmon peak position of Ta NPs was observed in the spectral range of 206-208 nm. The XRD spectra clearly showed the crystalline structure of NPs and various peaks of Ta and Ta2O5. Moreover, the UV region in the PL spectrum included the free exciton and the bound exciton emission correlated with the defect concentration. In fact, the laser ablation in the organic and inorganic solvents is a strong technique to obtain some NPs with particular structures, which are impossible to produce by conventional methods.

A decontamination system for chemical weapons agents using a liquid solution on a solid sorbent

International Nuclear Information System (INIS)

Waysbort, Daniel; McGarvey, David J.; Creasy, William R.; Morrissey, Kevin M.; Hendrickson, David M.; Durst, H. Dupont

2009-01-01

A decontamination system for chemical warfare agents was developed and tested that combines a liquid decontamination reagent solution with solid sorbent particles. The components have fewer safety and environmental concerns than traditional chlorine bleach-based products or highly caustic solutions. The liquid solution, based on Decon Green TM , has hydrogen peroxide and a carbonate buffer as active ingredients. The best solid sorbents were found to be a copolymer of ethylene glycol dimethacrylate and n-lauryl methacrylate (Polytrap 6603 Adsorber); or an allyl methacrylate cross-linked polymer (Poly-Pore E200 Adsorber). These solids are human and environmentally friendly and are commonly used in cosmetics. The decontaminant system was tested for reactivity with pinacolyl methylphosphonofluoridate (Soman, GD), bis(2-chloroethyl)sulfide (Mustard, HD), and S-(2-diisopropylaminoethyl) O-ethyl methylphosphonothioate (VX) by using NMR Spectroscopy. Molybdate ion (MoO 4 -2 ) was added to the decontaminant to catalyze the oxidation of HD. The molybdate ion provided a color change from pink to white when the oxidizing capacity of the system was exhausted. The decontaminant was effective for ratios of agent to decontaminant of up to 1:50 for VX (t 1/2 ≤ 4 min), 1:10 for HD (t 1/2 1/2 < 2 min). The vapor concentrations of GD above the dry sorbent and the sorbent with decontamination solution were measured to show that the sorbent decreased the vapor concentration of GD. The E200 sorbent had the additional advantage of absorbing aqueous decontamination solution without the addition of an organic co-solvent such as isopropanol, but the rate depended strongly on mixing for HD

Enhanced post-annealing stability of perpendicular Ta/CoFeB/Mg/MgO multilayers by inhibiting Ta diffusion

Energy Technology Data Exchange (ETDEWEB)

Li, Xu-Jing; Jiang, Shao-Long; Zhang, Jing-Yan; Liu, Qian-Qian; Liu, Yi-Wei; Zhao, Jian-Cheng [Department of Materials Physics and Chemistry, University of Science and Technology Beijing, Beijing 100083 (China); Wu, Zheng-Long [Analytical and Testing Center, Beijing Normal University, Beijing 100875 (China); Feng, Chun, E-mail: fengchun@ustb.edu.cn [Department of Materials Physics and Chemistry, University of Science and Technology Beijing, Beijing 100083 (China); Li, Ming-Hua [Department of Materials Physics and Chemistry, University of Science and Technology Beijing, Beijing 100083 (China); Yu, Guang-Hua, E-mail: ghyu@mater.ustb.edu.cn [Department of Materials Physics and Chemistry, University of Science and Technology Beijing, Beijing 100083 (China)

2016-03-01

Graphical abstract: To reveal the underlying mechanism of Mg influence on the enhanced post-annealing stability of perpendicular Ta/CoFeB/Mg/MgO multilayers, the X-ray photoelectron spectroscopy analysis have been performed. It is found that a certain amount of Mg interlayer at the CoFeB/MgO interface could prevent the Ta oxidation to some extent due to the oxygen deficit MgO{sub x} (x < 1), and consequently lower the diffusion motivation of Ta from the bottom layer to the CoFeB/MgO interfaces to some extent during the annealing process. The prevention of Ta diffusion realizes the effective hybridization of Fe and O at the CoFeB/MgO interface and maintains interfacial magnetic anisotropy (K{sub CoFeB/MgO}). As a result, the perpendicular magnetic anisotropy at high annealing temperatures was maintained. - Highlights: • High annealing stability of perpendicular Ta/CoFeB/Mg/MgO multilayers was realized. • X-ray photoelectron spectroscopy analysis has been performed to explore the reasons. • The prevention of Ta diffusion was realized by introducing Mg at the CoFeB/MgO interface. - Abstracts: To reveal the underlying mechanism of Mg influence on the enhanced post-annealing stability of perpendicular Ta/CoFeB/Mg/MgO multilayers, the X-ray photoelectron spectroscopy analysis has been performed. It is found that a certain amount of Mg interlayer at the CoFeB/MgO interface could prevent the Ta oxidation, and consequently lower the diffusion motivation of Ta from the bottom layer to the CoFeB/MgO interfaces to some extent in the annealing process. The prevention of Ta diffusion realizes the effective hybridization of Fe and O at the CoFeB/MgO interface and maintains interfacial magnetic anisotropy (KCoFeB/MgO). As a result, the perpendicular magnetic anisotropy at high annealing temperatures is maintained.

Enhanced post-annealing stability of perpendicular Ta/CoFeB/Mg/MgO multilayers by inhibiting Ta diffusion

International Nuclear Information System (INIS)

Li, Xu-Jing; Jiang, Shao-Long; Zhang, Jing-Yan; Liu, Qian-Qian; Liu, Yi-Wei; Zhao, Jian-Cheng; Wu, Zheng-Long; Feng, Chun; Li, Ming-Hua; Yu, Guang-Hua

2016-01-01

Graphical abstract: To reveal the underlying mechanism of Mg influence on the enhanced post-annealing stability of perpendicular Ta/CoFeB/Mg/MgO multilayers, the X-ray photoelectron spectroscopy analysis have been performed. It is found that a certain amount of Mg interlayer at the CoFeB/MgO interface could prevent the Ta oxidation to some extent due to the oxygen deficit MgO_x (x < 1), and consequently lower the diffusion motivation of Ta from the bottom layer to the CoFeB/MgO interfaces to some extent during the annealing process. The prevention of Ta diffusion realizes the effective hybridization of Fe and O at the CoFeB/MgO interface and maintains interfacial magnetic anisotropy (K_C_o_F_e_B_/_M_g_O). As a result, the perpendicular magnetic anisotropy at high annealing temperatures was maintained. - Highlights: • High annealing stability of perpendicular Ta/CoFeB/Mg/MgO multilayers was realized. • X-ray photoelectron spectroscopy analysis has been performed to explore the reasons. • The prevention of Ta diffusion was realized by introducing Mg at the CoFeB/MgO interface. - Abstracts: To reveal the underlying mechanism of Mg influence on the enhanced post-annealing stability of perpendicular Ta/CoFeB/Mg/MgO multilayers, the X-ray photoelectron spectroscopy analysis has been performed. It is found that a certain amount of Mg interlayer at the CoFeB/MgO interface could prevent the Ta oxidation, and consequently lower the diffusion motivation of Ta from the bottom layer to the CoFeB/MgO interfaces to some extent in the annealing process. The prevention of Ta diffusion realizes the effective hybridization of Fe and O at the CoFeB/MgO interface and maintains interfacial magnetic anisotropy (KCoFeB/MgO). As a result, the perpendicular magnetic anisotropy at high annealing temperatures is maintained

Decay property of regularity-loss type for solutions in elastic solids with voids

KAUST Repository

Djouamai, Leila; Said-Houari, Belkacem

2014-01-01

In this paper, we consider the Cauchy problem for a system of elastic solids with voids. First, we show that a linear porous dissipation leads to decay rates of regularity-loss type of the solution. We show some decay estimates for initial data in Hs(R)∩L1(R). Furthermore, we prove that by restricting the initial data to be in Hs(R)∩L1,γ(R) and γ. ∈. [0, 1], we can derive faster decay estimates of the solution. Second, we show that by adding a viscoelastic damping term, then we gain the regularity of the solution and obtain the optimal decay rate. © 2013 Elsevier Ltd.

A Moessbauer study on the photolysis of potassium trisoxalatoferrate(III) in solid and solutions

International Nuclear Information System (INIS)

Sato, H.; Tominaga, T.

1977-01-01

The photolysis of potassium trisoxalatoferrate(III) in solid and aqueous solutions was studied by Moessbauer spectroscopy. A ferrous species was mainly detected as an intermediate product in the photoirradiated solutions. A tentative mechanism was proposed for the overall reactions in and after the photolysis of this compound. The Moessbauer spectra were measured with a Hitachi AA-40 or Shimadzu MEG-2 Moessbauer spectrometer against Co-57 in copper foil. Acrylic holders (32 mm in diameter) were used for measurements of solutions: the irradiated solution was quickly frozen before measurement by adding it dropwise into the acrylic holder which had been cooled with liquid nitrogen or dry-ice. (T.I.)

Superstructure Ta2O5 mesocrystals derived from (NH4)2Ta2O3F6 mesocrystals with efficient photocatalytic activity.

Science.gov (United States)

Yu, Xin; Li, Wei; Huang, Jian; Li, Zhonghua; Liu, Jiawen; Hu, PingAn

2018-02-06

Superstructured mesocrystalline Ta 2 O 5 nanosheets were successfully prepared from mesocrystalline (NH 4 ) 2 Ta 2 O 3 F 6 nanorods by the annealing method for the first time. The as-prepared mesocrystalline Ta 2 O 5 nanosheets in this work showed remarkable visible light absorption, mainly due to the formation of oxygen vacancy defects in the mesocrystalline Ta 2 O 5 nanosheets, which was also confirmed by XPS spectra, Raman spectra and EPR spectra. Besides, the mesocrystalline Ta 2 O 5 nanosheets showed a highly enhanced photocatalytic activity of 11 268.24 μmol g -1 h -1 , about 3.95 times that of commercial Ta 2 O 5 . Moreover, the specific surface area of the mesocrystalline Ta 2 O 5 -800 nanosheets was 16.34 m 2 g -1 , about 5.32 times that of the commercial Ta 2 O 5 (3.072 m 2 g -1 ). The valence band XPS spectra indicated a strong oxidizing ability of the mesocrystalline Ta 2 O 5 nanosheets in comparison to that of commercial Ta 2 O 5 . The formation of superstructured Ta 2 O 5 mesocrystals generated long lifetime carriers and effective conduction pathways, which greatly enhanced the photocatalytic activity for hydrogen production.

Modelling the mechanical behaviour of heterogeneous Ta/TA6V welded joints: behaviour and failure criteria

International Nuclear Information System (INIS)

Paris, Th.

2008-12-01

As laser welding of two different materials (heterogeneous welding) leads to a joint having a characteristic size close to the millimetre, i.e. much smaller than that of a structure, and as such a junction displays completely different mechanical properties because of the metallurgical transformations induced by intense thermal loading, the aim of this research thesis is to develop a behaviour model, flexible and robust enough, to represent all together the mechanical behaviours of the Ta, the TA6V and the melted zone. This model must be able to take plasticity and visco-plasticity into account, and also to provide a failure criterion through damage mechanics and its coupling with the behaviour. The author first reports the experimental characterization of the base materials (Ta and TA6V) by using tensile tests under different strain rates and different directions, relaxation tests and fatigue shear tests. He also characterizes the melted zone by describing the influence of a thermal treatment (induced by welding) on the formation of the melted zone, and by using different tests: four point bending on notched specimens, nano-indentation test, and longitudinal tensile test. In a second part, the author develops the model within the framework of continuum thermodynamics, and explores the numerical issues. The last part deals with the validation of the model for the concerned materials (Ta and TA6V) and melted zone

Photoelectrochemical properties of CdSesub(x)Tesub(1-x) semiconducting solid solutions

International Nuclear Information System (INIS)

Kolbasov, G.Ya.; Karpov, I.I.; Pavelets, A.M.; Khanat, L.N.

1985-01-01

Photoelectrochemical properties of polycrystalline films of solid solutions CdSesub(x)Tesub(1-x) at x=0.5-0.8 are studied. Films from 5 to 30 μm thickness had hexagonal or mixed cubic and hexogonal structures depending on the compositions. All compositions had the electron type of conductivity. Alkali solutions of Na 2 S and S were used as electrolyte. Polarization characteristics of the CdSesub(0.5)Tesub(0.5) photoelectrode, curves of spectral dependence of photo electrochemical current and of the changes of photo-e.m.f. on electrode potential are plotted

The wheat WRKY transcription factors TaWRKY49 and TaWRKY62 confer differential high-temperature seedling-plant resistance to Puccinia striiformis f. sp. tritici.

Directory of Open Access Journals (Sweden)

Junjuan Wang

Full Text Available WRKY transcription factors (TFs play crucial roles in plant resistance responses to pathogens. Wheat stripe rust, caused by the fungal pathogen Puccinia striiformis f. sp. tritici (Pst, is a destructive disease of wheat (Triticum aestivum worldwide. In this study, the two WRKY genes TaWRKY49 and TaWRKY62 were originally identified in association with high-temperature seedling-plant resistance to Pst (HTSP resistance in wheat cultivar Xiaoyan 6 by RNA-seq. Interestingly, the expression levels of TaWRKY49 and TaWRKY62 were down- and up-regulated, respectively, during HTSP resistance in response to Pst. Silencing of TaWRKY49 enhanced whereas silencing TaWRKY62 reduced HTSP resistance. The enhanced resistance observed on leaves following the silencing of TaWRKY49 was coupled with increased expression of salicylic acid (SA- and jasmonic acid (JA-responsive genes TaPR1.1 and TaAOS, as well as reactive oxygen species (ROS-associated genes TaCAT and TaPOD; whereas the ethylene (ET-responsive gene TaPIE1 was suppressed. The decreased resistance observed on leaves following TaWRKY62 silencing was associated with increased expression of TaPR1.1 and TaPOD, and suppression of TaAOS and TaPIE1. Furthermore, SA, ET, MeJA (methyl jasmonate, hydrogen peroxide (H2O2 and abscisic acid (ABA treatments increased TaWRKY62 expression. On the other hand, MeJA did not affect the expression of TaWRKY49, and H2O2 reduced TaWRKY49 expression. In conclusion, TaWRKY49 negatively regulates while TaWRKY62 positively regulates wheat HTSP resistance to Pst by differential regulation of SA-, JA-, ET and ROS-mediated signaling.

Influence of lanthanum on the physico-chemical properties of solid solutions GeS0.5Se0.5

International Nuclear Information System (INIS)

Murquzov, M.I.; Alekperov, A.S.; Bayramov, R.B.

2010-01-01

By the methods of physical-chemical analysis (X-ray, MSA, as well as measurement of microhardness and density determination) the influence of La on the physico-chemical properties of solid solutions (GeS 0 .5Se 0 .5) 1 -x(La) x was studied and its microdiagram was plotted. At room temperature the GeS 0 .5Se 0 .5 based solid solution extent 4 at. percent of La. The dependence of lanthane microhardness was studied

Structural studies of TiC1−xOx solid solution by Rietveld refinement and first-principles calculations

International Nuclear Information System (INIS)

Jiang, Bo; Hou, Na; Huang, Shanyan; Zhou, Gege; Hou, Jungang; Cao, Zhanmin; Zhu, Hongmin

2013-01-01

The lattice parameters, structural stability and electronic structure of titanium oxycarbides (TiC 1−x O x , 0≤x≤1) solid solution were investigated by Rietveld refinement and first-principles calculations. Series of TiC 1−x O x were precisely synthesized by sintering process under the vacuum. Rietveld refinement results of XRD patterns show the properties of continuous solid solution in TiC 1−x O x over the whole composition range. The lattice parameters vary from 0.4324 nm to 0.4194 nm decreasing with increasing oxygen concentration. Results of first-principles calculations reveal that the disorder C/O structure is stable than the order C/O structure. Further investigations of the vacancy in Ti 1−Va (C 1−x O x ) 1−Va solid solution present that the structure of vacancy segregated in TiO-part is more stable than the disorder C/O structure, which can be ascribed to the Ti–Ti bond across O-vacancy and the charge redistributed around Ti-vacancy via the analysis of the electron density difference plots and PDOS. - Graphical abstract: XRD of series of titanium oxycarbides (TiC 1−x O x , 0≤x≤1) solid solution prepared by adjusting the proportion of TiO in the starting material. Highlights: • Titanium oxycarbides were obtained by sintering TiO and TiC under carefully controlled conditions. • Rietveld refinement results show continuous solid solution with FCC structure in TiC 1−x O x . • The disorder C/O structure is stable than the order C/O structure. • Introduction of vacancy segregated in TiO-part is more stable than disorder C/O structure. • Ti–Ti bond across O-vacancy and the charge redistributed around Ti-vacancy enhance structural stability

Preparation and X-ray diffraction characterization of Th1-xBixO2-0.5x (where x= 0 to 0.5) solid solutions

International Nuclear Information System (INIS)

Kanrar, Buddhadev; Misra, N.L.

2015-01-01

Solid solutions of ThO 2 and Bi 2 O 3 were prepared by solid state reactions of these oxides. X-ray diffraction studies indicated that Bi +3 up to 50 at% can be dissolved in ThO 2 lattice. Rietveld refinement of the XRD patterns indicated single phase solid solutions up to 50 atom% of Bi +3 in ThO 2 lattice. The cell parameters of the solid solutions were found to decrease with increasing amount of Bi +3 in the lattice. (author)

Solubility of jarosite solid solutions precipitated from acid mine waters, Iron Mountain, California

Science.gov (United States)

Alpers, Charles N.; Nordstrom, D. Kirk; Ball, J.W.

1989-01-01

Because of the common occurrence of 15 to 25 mole percent hydronium substitution on the alkali site in jarosites, it is necessary to consider the hydronium content of jarosites in any attempt at rigorous evaluation of jarosite solubility or of the saturation state of natural waters with respect to jarosite. A Gibbs free energy of 3293.5±2.1 kJ mol-1 is recommended for a jarosite solid solution of composition K.77Na.03(H3O).20Fe3(SO4)2(OH)6. Solubility determinations for a wider range of natural and synthetic jarosite solid solutions will be necessary to quantify the binary and ternary mixing parameters in the (K-Na-H3O) system. In the absence of such studies, molar volume data for endmember minerals indicate that the K-H3O substitution in jarosite is probably closer to ideal mixing than either the Na-K or Na-H3O substitution.

Resonances in odd-odd 182Ta

Science.gov (United States)

Brits, C. P.; Wiedeking, M.; Bello Garrote, F. L.; Bleuel, D. L.; Giacoppo, F.; Görgen, A.; Guttormsen, M.; Hadynska-Klek, K.; Hagen, T. W.; Ingeberg, V. W.; Kheswa, B. V.; Klintefjord, M.; Larsen, A. C.; Malatji, K. L.; Nyhus, H. T.; Papka, P.; Renstrøm, T.; Rose, S.; Sahin, E.; Siem, S.; Tveten, G. M.; Zeiser, F.

2017-09-01

Enhanced γ-decay on the tail of the giant electric dipole resonance, such as the scissors or pygmy resonances, can have significant impact on (n,γ) reaction rates. These rates are important input for modeling processes that take place in astrophysical environments and nuclear reactors. Recent results from the University of Oslo indicate the existence of a significant enhancement in the photon strength function for nuclei in the actinide region due to the scissors resonance. Further, the M1 strength distribution of the scissors resonances in rare earth nuclei has been studied extensively over the years. To investigate the evolution and persistence of the scissor resonance in other mass regions, an experiment was performed utilizing the NaI(Tl) γ-ray detector array (CACTUS) and silicon particle telescopes (SiRi) at the University of Oslo Cyclotron laboratory. Particle-γ coincidences from the 181Ta(d,p)182Ta and 181Ta(d,d')181Ta reactions were used to measure the nuclear level density and photon strength function of the well-deformed 181Ta and 182Ta systems, to investigate the existence of resonances below the neutron separation energy. Note to the reader: the title of this article has been corrected on September 19, 2017.

Theoretical multi-physics approaches to solid-solution strengthening of Al

Energy Technology Data Exchange (ETDEWEB)

Ma, Duancheng; Friak, Martin; Raabe, Dierk; Neugebauer, Joerg [Max-Planck-Institut fuer Eisenforschung GmbH, Duesseldorf (Germany)

2009-07-01

The strengthening of soft metallic materials has a long tradition and is an important metallurgical topic since the time when ancient smiths forged the first swords. Intense materials research revealed a combination of three mechanisms as decisive for solid-solution strengthening phenomena: (i) the size mismatch of components (Mott and Nabarro's parelastic concept), (ii) the elastic modulus mismatch of atoms (Fleischer's dielastic contribution), and (iii) the concentration of solutes (statistical concept of Friedel and Labusch). Combining density functional theory calculations and linear-elasticity theory, the key parameters that are essential for the classical strengthening theories are determined in order to test them and identify their possible validity limits. The strengthening of fcc aluminium is chosen as an example and a series of binary systems Al-X (with X=Ca,Sr,Ir,Li,Mg,Cu) was considered. Comparing our results with those obtained by applying classical theories we find clear deviations. These deviations originate from non-classical lattice distortions due to the size mismatch of solute atoms in their first coordination shells.

Structural, mechanical, and electronic properties of TaB2, TaB, IrB2, and IrB: First-principle calculations

International Nuclear Information System (INIS)

Zhao Wenjie; Wang Yuanxu

2009-01-01

First-principle calculations were performed to investigate the structural, elastic, and electronic properties of TaB 2 , TaB, IrB 2 , and IrB. The calculated equilibrium structural parameters, shear modulus, and Young's modulus of TaB 2 are well consistent with the available experimental data, and TaB 2 with P6/mmm space group has stronger directional bonding between ions than WB 2 , OsB 2 , IrN 2 , and PtN 2 . For TaB 2 , the hexagonal P6/mmm structure is more stable than the orthorhombic Pmmn one, while for IrB 2 the orthorhombic Pmmn structure is the most stable one. The high shear modulus of P6/mmm phase TaB 2 is mainly due to the strong covalent π-bonding of B-hexagon in the (0001) plane. Such a B-hexagon network can strongly resist against an applied [112-bar0] (0001) shear deformation. Correlation between the hardness and the elastic constants of TaB 2 was discussed. The band structure shows that P6/mmm phase TaB 2 and Pmmn phase IrB 2 are both metallic. The calculations show that both TaB and IrB are elastically stable with the hexagonal P6 3 /mmc structure. - Elastic constant c 44 of TaB 2 is calculated to be 235 GPa. This value is exceptionally high, exceeding those of WB 2 , OsB 2 , WB 4 , OsN 2 , IrN 2 , and PtN 2 .

TA-55 change control manual

International Nuclear Information System (INIS)

Blum, T.W.; Selvage, R.D.; Courtney, K.H.

1997-11-01

This manual is the guide for initiating change at the Plutonium Facility, which handles the processing of plutonium as well as research on plutonium metallurgy. It describes the change and work control processes employed at TA-55 to ensure that all proposed changes are properly identified, reviewed, approved, implemented, tested, and documented so that operations are maintained within the approved safety envelope. All Laboratory groups, their contractors, and subcontractors doing work at TA-55 follow requirements set forth herein. This manual applies to all new and modified processes and experiments inside the TA-55 Plutonium Facility; general plant project (GPP) and line item funded construction projects at TA-55; temporary and permanent changes that directly or indirectly affect structures, systems, or components (SSCs) as described in the safety analysis, including Facility Control System (FCS) software; and major modifications to procedures. This manual does not apply to maintenance performed on process equipment or facility SSCs or the replacement of SSCs or equipment with documented approved equivalents

Soft chemistry routes to transparent metal oxide thin films. The case of sol–gel synthesis and structural characterization of Ta{sub 2}O{sub 5} thin films from tantalum chloromethoxide

Energy Technology Data Exchange (ETDEWEB)

Epifani, Mauro, E-mail: mauro.epifani@le.imm.cnr.it [Istituto per la Microelettronica e i Microsistemi, IMM-CNR, Via Monteroni, 73100 Lecce (Italy); Zamani, Reza [Catalonia Institute for Energy Research, IREC c/Jardins de les Dones de Negre, 1, 08930-Sant Adria del Besos, Barcelona (Spain); Institut de Ciència de Materials de Barcelona, ICMAB-CSIC, 08193 Bellaterra, CAT (Spain); Arbiol, Jordi [Institut de Ciència de Materials de Barcelona, ICMAB-CSIC, 08193 Bellaterra, CAT (Spain); Institucio Catalana de Recerca i Estudis Avançats, ICREA, 08010, Barcelona (Spain); Fabrega, Cristian; Andreu, Teresa [Catalonia Institute for Energy Research, IREC c/Jardins de les Dones de Negre, 1, 08930-Sant Adria del Besos, Barcelona (Spain); Pace, Giovanni Battista; Siciliano, Pietro [Istituto per la Microelettronica e i Microsistemi, IMM-CNR, Via Monteroni, 73100 Lecce (Italy); Morante, Joan R. [Catalonia Institute for Energy Research, IREC c/Jardins de les Dones de Negre, 1, 08930-Sant Adria del Besos, Barcelona (Spain); M2E-IN2UB-XaRMAE, Departament d’Electrònica, Universitat de Barcelona, C. Martí i Franquès 1, 08028 Barcelona, CAT (Spain)

2014-03-31

Ta{sub 2}O{sub 5} thin films were prepared by spin-coating methanol solutions of Ta chloromethoxide. It was prepared by reacting TaCl{sub 5} with methanol, followed by water addition (H{sub 2}O: Ta molar ratio was 16). Thin films were deposited by spin-coating onto SiO{sub 2}/Si substrates, followed by drying at 90 °C and heat-treatment up to 700 °C. The films were characterized by X-ray diffraction, transmission electron microscopy and field emission scanning electron microscopy. Crystallization was obtained only after heating at 700 °C, in the Ta{sub 2}O{sub 5} orthorhombic phase. The resulting films had a thickness of 100 nm. Their structure was constituted by porous crystals with size up to 50 nm, while the pores had a size of about 10 nm. The results demonstrated that TaCl{sub 5} is very convenient precursor for the wet chemical synthesis of Ta{sub 2}O{sub 5} thin films. - Highlights: • Development of convenient solution synthesis of Ta{sub 2}O{sub 5} thin films; • The precursor chemistry was established and related to the synthesis process; • Uniform films crystallized in the most stable orthorombic Ta{sub 2}O{sub 5} phase;.

Switchable and tunable film bulk acoustic resonator fabricated using barium strontium titanate active layer and Ta{sub 2}O{sub 5}/SiO{sub 2} acoustic reflector

Energy Technology Data Exchange (ETDEWEB)

Sbrockey, N. M., E-mail: sbrockey@structuredmaterials.com; Tompa, G. S. [Structured Materials Industries, Inc., Piscataway, New Jersey 08854 (United States); Kalkur, T. S.; Mansour, A. [Department of Electrical and Computer Engineering, Colorado State University at Colorado Springs, Colorado Springs, Colorado 80933 (United States); Khassaf, H.; Yu, H.; Aindow, M.; Alpay, S. P. [Department of Materials Science and Engineering and Institute of Materials Science, University of Connecticut, Storrs, Connecticut 06269 (United States)

2016-08-01

A solidly mounted acoustic resonator was fabricated using a Ba{sub 0.60}Sr{sub 0.40}TiO{sub 3} (BST) film deposited by metal organic chemical vapor deposition. The device was acoustically isolated from the substrate using a Bragg reflector consisting of three pairs of Ta{sub 2}O{sub 5}/SiO{sub 2} layers deposited by chemical solution deposition. Transmission electron microscopy verified that the Bragg reflector was not affected by the high temperatures and oxidizing conditions necessary to process high quality BST films. Electrical characterization of the resonator demonstrated a quality factor (Q) of 320 and an electromechanical coupling coefficient (K{sub t}{sup 2}) of 7.0% at 11 V.

75 FR 43564 - TA-W-71,483, Continental Airlines, Inc., Reservations Division, Houston, TX; TA-W-71,483A...

Science.gov (United States)

2010-07-26

... DEPARTMENT OF LABOR Employment and Training Administration TA-W-71,483, Continental Airlines, Inc., Reservations Division, Houston, TX; TA-W-71,483A, Continental Airlines, Inc., Reservations Division, Tampa, FL; TA-W-71,483B, Continental Airlines, Inc., Reservations Division, Salt Lake City, UT; Notice of...

Structural and electrical characterization of BiFeO3-NaTaO3 multiferroic

International Nuclear Information System (INIS)

Mohanty, Suchismita; Choudhary, R.N.P.; Parida, B.N.; Padhee, R.

2014-01-01

Using a standard high-temperature solid-state reaction technique, polycrystalline samples of (Bi 1-x , Na x ) (Fe 1-x , Ta x ) O 3 (x = 0.0, 0.5) were prepared. The formation of the desired materials was confirmed by X-ray diffraction. The surface texture of the prepared materials recorded by scanning electron microscope exhibits a uniform grain distribution with small voids suggesting the formation of high-density pellet samples. The impedance and dielectric properties of the materials were investigated as a function of temperature and frequency. The relative dielectric constant and loss tangent of BiFeO 3 decrease on addition of NaTaO 3 (x = 0.5). The effect of addition of NaTaO 3 on grain and grain boundary contributions in the resistive and capacitive components of BiFeO 3 was studied using complex impedance spectroscopy. The value of activation energy due to both grain and grain boundary of both the samples is nearly same. The nature of variation of dc conductivity confirms the Arrhenius behavior of the materials. Study of frequency dependence of ac conductivity suggests that the materials obey Jonscher's universal power law and the presence of ionic conductivity. (orig.)

The glass-like thermal conductivity in ZrO2-Dy3TaO7 ceramic for promising thermal barrier coating application

Science.gov (United States)

Wu, Peng; Hu, Ming Yu; Chong, Xiao Yu; Feng, Jing

2018-03-01

Using the solid-state reaction method, the (ZrO2)x-(Dy3TaO7)1-x (x = 0, 0.02, 0.04, 0.06, 0.08, and 0.1) ceramics are synthesized in this work. The identification of the crystal structures indicates that the (ZrO2)x-(Dy3TaO7)1-x ceramics belong to the orthorhombic system, and the space group is C2221 in spite of the value of x increasing to 0.1. The thermal conductivities of the (ZrO2)x-(Dy3TaO7)1-x ceramics range from 1.3 W/(m K) to 1.8 W/(m K), and this value is much lower than that of 7-8 YSZ (yttria-stabilized zirconia). Besides, the (ZrO2)x-(Dy3TaO7)1-x ceramics possess the glass-like thermal conductivity caused by intrinsic oxygen vacancies existing in the lattice of Dy3TaO7. Moreover, the results of thermal expansion rates demonstrate that the (ZrO2)x-(Dy3TaO7)1-x ceramics possess excellent high temperature phase stability, and the thermal expansion coefficients [(9.7-11) × 10-6 K-1] are comparable to that of 7-8 YSZ.

Highly-dispersed Ta-oxide catalysts prepared by electrodeposition in a non-aqueous plating bath for polymer electrolyte fuel cell cathodes

KAUST Repository

Seo, Jeongsuk; Cha, Dong Kyu; Takanabe, Kazuhiro; Kubota, Jun; Domen, Kazunari

2012-01-01

The Ta-oxide cathode catalysts were prepared by electrodeposition in a non-aqueous solution. These catalysts showed excellent catalytic activity and have an onset potential of 0.92 V RHE for the oxygen reduction reaction (ORR). The highly-dispersed Ta species at the nanometer scale on the carbon black was an important contributor to the high activity. © 2012 The Royal Society of Chemistry.

Diffuse neutron scattering study of metallic interstitial solid solutions

International Nuclear Information System (INIS)

Barberis, P.

1991-10-01

We studied two interstitial solid solutions (Ni-C(1at%) and Nb-O(2at%) and two stabilized zirconia (ZrO2-CaO(13.6mol%) and ZrO2-Y2O3(9.6mol%) by elastic diffuse neutron scattering. We used polarized neutron scattering in the case of the ferromagnetic Ni-based sample, in order to determine the magnetic perturbation induced by the C atoms. Measurements were made on single crystals in the Laboratoire Leon Brillouin (CEA-CNRS, Saclay, France). An original algorithm to deconvolve time-of-flight spectra improved the separation between elastically and inelastically scattered intensities. In the case of metallic solutions, we used a simple non-linear model, assuming that interstitials are isolated and located in octahedral sites. Results are: - in both compounds, nearest neighbours are widely displaced away from the interstitial, while next nearest neighbours come slightly closer. - the large magnetic perturbation induced by carbon in Nickel decreases with increasing distance on the three first neighbour shells and is in good agreement with the total magnetization variation. - no chemical order between solute atoms could be evidenced. Stabilized zirconia exhibit a strong correlation between chemical order and the large displacements around vacancies and dopants. (Author). 132 refs., 38 figs., 13 tabs

Diode-pumped passively Q-switched Nd:GdTaO4 laser based on tungsten disulfide nanosheets saturable absorber at 1066 nm

Science.gov (United States)

Li, M. X.; Jin, G. Y.; Li, Y.

2018-05-01

In this paper, we investigated the passively Q-switched Nd:GdTaO4 laser based on tungsten disulfide (WS2) saturable absorber (SA). The preparation method of WS2 SA was to attach the WS2-alcohol dispersion onto the quartz substrates. The diode-pumped passively Q-switched Nd:GdTaO4 laser operated at a central wavelength of 1066 nm. The stable pulse output could be obtained at the single pulse width of 560 ns. In a word, WS2 seems to be a suitable saturable absorber for solid state lasers.

Effect of Ta Additions on the Microstructure, Damping, and Shape Memory Behaviour of Prealloyed Cu-Al-Ni Shape Memory Alloys

Directory of Open Access Journals (Sweden)

Safaa N. Saud

2017-01-01

Full Text Available The influence of Ta additions on the microstructure and properties of Cu-Al-Ni shape memory alloys was investigated in this paper. The addition of Ta significantly affects the green and porosity densities; the minimum percentage of porosity was observed with the modified prealloyed Cu-Al-Ni-2.0 wt.% Ta. The phase transformation temperatures were shifted towards the highest values after Ta was added. Based on the damping capacity results, the alloy of Cu-Al-Ni-3.0 wt.% Ta has very high internal friction with the maximum equivalent internal friction value twice as high as that of the prealloyed Cu-Al-Ni SMA. Moreover, the prealloyed Cu-Al-Ni SMAs with the addition of 2.0 wt.% Ta exhibited the highest shape recovery ratio in the first cycle (i.e., 100% recovery, and when the number of cycles is increased, this ratio tends to decrease. On the other hand, the modified alloys with 1.0 and 3.0 wt.% Ta implied a linear increment in the shape recovery ratio with increasing number of cycles. Polarization tests in NaCl solution showed that the corrosion resistance of Cu-Al-Ni-Ta SMA improved with escalating Ta concentration as shown by lower corrosion current densities, higher corrosion potential, and formation of stable passive film.

Effect of Ta Additions on the Microstructure, Damping, and Shape Memory Behaviour of Prealloyed Cu-Al-Ni Shape Memory Alloys.

Science.gov (United States)

Saud, Safaa N; Hamzah, E; Bakhsheshi-Rad, H R; Abubakar, T

2017-01-01

The influence of Ta additions on the microstructure and properties of Cu-Al-Ni shape memory alloys was investigated in this paper. The addition of Ta significantly affects the green and porosity densities; the minimum percentage of porosity was observed with the modified prealloyed Cu-Al-Ni-2.0 wt.% Ta. The phase transformation temperatures were shifted towards the highest values after Ta was added. Based on the damping capacity results, the alloy of Cu-Al-Ni-3.0 wt.% Ta has very high internal friction with the maximum equivalent internal friction value twice as high as that of the prealloyed Cu-Al-Ni SMA. Moreover, the prealloyed Cu-Al-Ni SMAs with the addition of 2.0 wt.% Ta exhibited the highest shape recovery ratio in the first cycle (i.e., 100% recovery), and when the number of cycles is increased, this ratio tends to decrease. On the other hand, the modified alloys with 1.0 and 3.0 wt.% Ta implied a linear increment in the shape recovery ratio with increasing number of cycles. Polarization tests in NaCl solution showed that the corrosion resistance of Cu-Al-Ni-Ta SMA improved with escalating Ta concentration as shown by lower corrosion current densities, higher corrosion potential, and formation of stable passive film.

Synthesis and structural characteristics of the spinel-type solid solutions in the Mn-V-Fe-O system

International Nuclear Information System (INIS)

Ponomaryov, V.I.; Dubrovina, I.N.; Zakharov, R.G.

1976-01-01

The part of the spinel region bounded by the compounds Mn 3 O 4 , Mn 2 VO 4 , Fe 2 VO 4 , and Fe 3 O 4 in the four-component system Mn-V-Fe-O was studied. The compounds were synthesized by ceramic technology. Samples were heated in a CO 2 atmosphere free of oxygen at 1100 0 C for 25-50 hr. It was found that the average composition of the spinel compound in the system had the formula Mnsub(1.00)Fesub(1.33)Vsub(0.67)O 4 . X-ray and neutron radiogrphic analyses were made. Crystallo-chemical formulas of the solid solutions considered are tabulated. The magnetic moments of saturation, calculated by the Neel model, are shown, and their experimental values are presented. The crystallo-chemical formulas of the spinel solid solutions in the Mn-V-Fe-O system are of interest in interpreting the concentration dependence of the physico-chemical properties of solid solutions of oxides based on metals with varying valence

Auger recombination in p-type InAs and in Gasub(x)Insub(1-x)As solid solutions

International Nuclear Information System (INIS)

Zotova, N.V.; Yassievich, I.N.

1977-01-01

The probability of the Auger recombination in p-type semiconductors, which is accompanied by transition of the second hole into the zone, splitted by spin-orbital interaction, was calculated. The above process is effective when the energy of spin-orbital splitting off Δ is close to the forbidden zone energy Esub(g), which takes place in the case of InAs, GaSb and solid solutions based on these compounds. The calculation is performed for the non-degenerate hole gas at a finite difference of Esub(g) - Δ. By means of the study of radiative recombination in InAs and Gasub(x)Insub(1-x)As solid solutions with small contents of GaAs (0 17 cm -3 . It is found that the quantum yield of radiative recombination increases sharply in Gasub(x)Insub(1-x)As solid solutions with the increase of x, which is associated with the increase of the difference of Esub(g) - Δ; the radiative recombination intensity increases in correspondence with the theoretical calculation made

Mesoporous yttria-zirconia and metal-yttria-zirconia solid solutions for fuel cells

Energy Technology Data Exchange (ETDEWEB)

Mamak, M.; Coombs, N.; Ozin, G. [Toronto Univ., ON (Canada). Dept. of Chemistry

2000-02-03

A new class of binary mesoporous yttria-zirconia (YZ) and ternary mesoporous metal-YZ materials (M = electroactive Ni/Pt) is presented here that displays the highest surface area of any known form of yttria-stabilized zirconia. These mesoporous materials form as solid solutions and retain their structural integrity to 800 C, which bodes well for their possible utilization in fuel cells. (orig.)

Laminating solution-processed silver nanowire mesh electrodes onto solid-state dye-sensitized solar cells

KAUST Repository

Hardin, Brian E.; Gaynor, Whitney; Ding, I-Kang; Rim, Seung-Bum; Peumans, Peter; McGehee, Michael D.

2011-01-01

Solution processed silver nanowire meshes (Ag NWs) were laminated on top of solid-state dye-sensitized solar cells (ss-DSCs) as a reflective counter electrode. Ag NWs were deposited in <1 min and were less reflective compared to evaporated Ag

Energy-beam processing studies on Ta/U and Ir/Ta systems

International Nuclear Information System (INIS)

Kaufmann, E.N.; Peercy, P.S.; Jacobson, D.C.; Draper, C.W.; Huegel, F.J.; Echer, C.J.; Makowiecki, D.M.; Balser, J.D.

1983-01-01

Films of Ta metal on uranium and of Ir metal on tantalum have been irradiated and melted by pulses from Q-switched Ruby and frequency-doubled Nd:YAG lasers to investigate the nature of the resulting mixtures in light of the very different binary-phase diagrams of the two systems. In addition, a two-phase Ir-Ta alloy has been surface-processed with CW CO 2 -laser radiation and with an electron beam in order to study microstructure refinement and test the advantage of using alloys as opposed to film-on-substrate combinations for the development of claddings

Localized solid-state amorphization at grain boundaries in a nanocrystalline Al solid solution subjected to surface mechanical attrition

Energy Technology Data Exchange (ETDEWEB)

Wu, X [State Key Laboratory of Nonlinear Mechanics, Institute of Mechanics, Chinese Academy of Sciences, Beijing 100080 (China); Tao, N [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China); Hong, Y [State Key Laboratory of Nonlinear Mechanics, Institute of Mechanics, Chinese Academy of Sciences, Beijing 100080 (China); Lu, J [LASMIS, University of Technology of Troyes, 10000, Troyes (France); Lu, K [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China)

2005-11-21

Using high-resolution electron microscopy, localized solid-state amorphization (SSA) was observed in a nanocrystalline (NC) Al solid solution (weight per cent 4.2 Cu, 0.3 Mn, the rest being Al) subjected to a surface mechanical attrition treatment. It was found that the deformation-induced SSA may occur at the grain boundary (GB) where either the high density dislocations or dislocation complexes are present. It is suggested that lattice instability due to elastic distortion within the dislocation core region plays a significant role in the initiation of the localized SSA at defective sites. Meanwhile, the GB of severely deformed NC grains exhibits a continuously varying atomic structure in such a way that while most of the GB is ordered but reveals corrugated configurations, localized amorphization may occur along the same GB.

Nitrate conversion and supercritical fluid extraction of UO2-CeO2 solid solution prepared by an electrolytic reduction-coprecipitation method

International Nuclear Information System (INIS)

Zhu, L.Y.; Duan, W.H.; Wen, M.F.; Xu, J.M.; Zhu, Y.J.

2014-01-01

A low-waste technology for the reprocessing of spent nuclear fuel (SNF) has been developed recently, which involves the conversion of actinide and lanthanide oxides with liquid N 2 O 4 into their nitrates followed by supercritical fluid extraction of the nitrates. The possibility of the reprocessing of SNF from high-temperature gas-cooled reactors (HTGRs) with nitrate conversion and supercritical fluid extraction is a current area of research in China. Here, a UO 2 -CeO 2 solid solution was prepared as a surrogate for a UO 2 -PuO 2 solid solution, and the recovery of U and Ce from the UO 2 -CeO 2 solid solution with liquid N 2 O 4 and supercritical CO 2 containing tri-n-butyl phosphate (TBP) was investigated. The UO 2 -CeO 2 solid solution prepared by electrolytic reduction-coprecipitation method had square plate microstructures. The solid solution after heat treatment was completely converted into nitrates with liquid N 2 O 4 . The XRD pattern of the nitrates was similar to that of UO 2 (NO 3 ) 2 . 3H 2 O. After 120 min of online extraction at 25 MPa and 50 , 99.98% of the U and 98.74% of the Ce were recovered from the nitrates with supercritical CO 2 containing TBP. The results suggest a promising potential technology for the reprocessing of SNF from HTGRs. (orig.)

A decontamination system for chemical weapons agents using a liquid solution on a solid sorbent

Energy Technology Data Exchange (ETDEWEB)

Waysbort, Daniel [Israel Institute for Biological Research, PO Box 19, Ness-Ziona 74100 (Israel); McGarvey, David J. [R and T Directorate, Edgewood Chemical and Biological Center (ECBC), Aberdeen Proving Ground-Edgewood Area, MD 21010 (United States)], E-mail: david.mcgarvey@us.army.mil; Creasy, William R.; Morrissey, Kevin M.; Hendrickson, David M. [SAIC, P.O. Box 68, Gunpowder Branch, Aberdeen Proving Ground, MD 21010 (United States); Durst, H. Dupont [R and T Directorate, Edgewood Chemical and Biological Center (ECBC), Aberdeen Proving Ground-Edgewood Area, MD 21010 (United States)

2009-01-30

A decontamination system for chemical warfare agents was developed and tested that combines a liquid decontamination reagent solution with solid sorbent particles. The components have fewer safety and environmental concerns than traditional chlorine bleach-based products or highly caustic solutions. The liquid solution, based on Decon Green{sup TM}, has hydrogen peroxide and a carbonate buffer as active ingredients. The best solid sorbents were found to be a copolymer of ethylene glycol dimethacrylate and n-lauryl methacrylate (Polytrap 6603 Adsorber); or an allyl methacrylate cross-linked polymer (Poly-Pore E200 Adsorber). These solids are human and environmentally friendly and are commonly used in cosmetics. The decontaminant system was tested for reactivity with pinacolyl methylphosphonofluoridate (Soman, GD), bis(2-chloroethyl)sulfide (Mustard, HD), and S-(2-diisopropylaminoethyl) O-ethyl methylphosphonothioate (VX) by using NMR Spectroscopy. Molybdate ion (MoO{sub 4}{sup -2}) was added to the decontaminant to catalyze the oxidation of HD. The molybdate ion provided a color change from pink to white when the oxidizing capacity of the system was exhausted. The decontaminant was effective for ratios of agent to decontaminant of up to 1:50 for VX (t{sub 1/2} {<=} 4 min), 1:10 for HD (t{sub 1/2} < 2 min with molybdate), and 1:10 for GD (t{sub 1/2} < 2 min). The vapor concentrations of GD above the dry sorbent and the sorbent with decontamination solution were measured to show that the sorbent decreased the vapor concentration of GD. The E200 sorbent had the additional advantage of absorbing aqueous decontamination solution without the addition of an organic co-solvent such as isopropanol, but the rate depended strongly on mixing for HD.

Behaviour of LaAlO 3 +LnTiTaO 6 (Ln= Ce, Pr or Nd)

Indian Academy of Sciences (India)

The 0.1LaAlO3+0.9LnTiTaO6 (Ln= Ce, Pr or Nd) ceramics are prepared through solid state ceramic route. The structure of the materials is studied using X-ray diffraction analysis. The microstructure is analysed using scanning electron microscopy. The dielectric properties in the radio as well as in the microwave frequencies ...

Defect structure of cubic solid solutions of alkaline earth and rare earth fluorides

NARCIS (Netherlands)

DenHartog, HW

1996-01-01

In this paper we will consider the disorder in some cubic solid solutions consisting of one of the alkaline earth fluorides and one of the rare earth fluorides. This is an attractive group of model materials, because these materials have a rather simple overall cubic structure. We will discuss the

Pre-Test Analysis Predictions for the Shell Buckling Knockdown Factor Checkout Tests - TA01 and TA02

Science.gov (United States)

Thornburgh, Robert P.; Hilburger, Mark W.

2011-01-01

This report summarizes the pre-test analysis predictions for the SBKF-P2-CYL-TA01 and SBKF-P2-CYL-TA02 shell buckling tests conducted at the Marshall Space Flight Center (MSFC) in support of the Shell Buckling Knockdown Factor (SBKF) Project, NASA Engineering and Safety Center (NESC) Assessment. The test article (TA) is an 8-foot-diameter aluminum-lithium (Al-Li) orthogrid cylindrical shell with similar design features as that of the proposed Ares-I and Ares-V barrel structures. In support of the testing effort, detailed structural analyses were conducted and the results were used to monitor the behavior of the TA during the testing. A summary of predicted results for each of the five load sequences is presented herein.

Phase transitions in solid Kr-CH4 solutions and rotational excitations in phase II

International Nuclear Information System (INIS)

Bagatskii, M.I.; Mashchenko, D.A.; Dudkin, V.V.

2007-01-01

The heat capacity C p of solid Kr-n CH 4 solutions with the CH 4 concentrations n=0.82, 0.86, 0.90 as well as solutions with n=0.90, 0.95 doped with 0.002 O 2 impurity has been investigated under equilibrium vapor pressure over the internal 1-24 K. The (T,n)-phase diagram was refined and the region of two-phase states was determined for Kr-n CH 4 solid solutions. The contribution of the rotational subsystem, C r ot, to the heat capacity of the solutions has been separated. Analysis of C r ot(T) at T 1 and E 2 between the tunnel levels of the A-, T- and A-, E--nuclear-spin species of CH 4 molecules in the orientationally ordered subsystem, and to determine the effective energy gaps E 1 between lowest levels of the A- and T- species. The relations τ(n) and E 1 (n) stem from changes of the effective potential field caused as the replacement of CH 4 molecules by Kr atoms at sites of the ordered sublattices. The effective gaps E L between a group of tunnel levels of the ground-state liberation state and the nearest group of excited levels of the liberation state of the ordered CH 4 molecules in the solutions with n=0.90 (E L =52 K) and 0.95 (E L =55 K) has been estimated

A solid solution series of atacamite type Ni{sub 2x}Mg{sub 2−2x}Cl(OH){sub 3}

Energy Technology Data Exchange (ETDEWEB)

Bette, Sebastian [TU Bergakademie Freiberg, Institute of Inorganic Chemistry, Leipziger Strasse 29, Freiberg 09596 (Germany); Dinnebier, Robert E. [Max Planck Institute for Solid State Research, Heisenbergstrasse 1, Stuttgart 70569 (Germany); Röder, Christian [TU Bergakademie Freiberg, Institute of Theoretical Physics, Leipziger Strasse 23, Freiberg 09596 (Germany); Freyer, Daniela, E-mail: daniela.freyer@chemie.tu-freiberg.de [TU Bergakademie Freiberg, Institute of Inorganic Chemistry, Leipziger Strasse 29, Freiberg 09596 (Germany)

2015-08-15

For the first time a complete solid solution series Ni{sub 2x}Mg{sub 2−2x}Cl(OH){sub 3} of an atacamite type alkaline main group metal chloride, Mg{sub 2}Cl(OH){sub 3}, and a transition group metal chloride, Ni{sub 2}Cl(OH){sub 3}, was prepared and characterized by chemical and thermal analysis as well as by Raman and IR spectroscopy, and high resolution laboratory X-ray powder diffraction. All members of the solid solution series crystallize in space group Pnam (62). The main building units of these crystal structures are distorted, edge-linked Ni/MgO{sub 4}Cl{sub 2} and Ni/MgO{sub 5}Cl octahedra. The distribution of Ni{sup 2+}- and Mg{sup 2+}-ions among these two metal-sites within the solid solution series is discussed in detail. The crystallization of the solid solution phases occurs via an intermediate solid solution series, (Ni/Mg)Cl{sub 2x}(OH){sub 2−2x}, with variable Cl: OH ratio up to the 1:3 ratio according to the formula Ni{sub 2x}Mg{sub 2−2x} Cl(OH){sub 3}. For one isolated intermediate solid solution member, Ni{sub 0.70}Mg{sub 0.30}Cl{sub 0.58}(OH){sub 1.42}, the formation and crystal structure is presented as well. - Graphical abstract: For the first time a complete solid solution series, Ni{sub 2x}Mg{sub 2−2x} Cl(OH){sub 3}, was synthesized and characterized. Structure solution by revealed that Ni{sup 2+} prefers to occupy the Jahn–Teller-like distorted hole, out of two available cation sites. Substitution of Ni{sup 2+} by Mg{sup 2+} in atacamite type Ni{sub 2}Cl(OH){sub 3} results in systematic band shifts in Raman and IR spectra as well as in systematic changes in thermal properties. The α-polymorphs M{sub 2}Cl(OH){sub 3} with M=Mg{sup 2+}, Ni{sup 2+} and other divalent transition metal ions, as described in literature, were identified as separate compounds. - Highlights: • First synthesis of solid solution series between main and transition metal chloride. • Ni{sup 2+} prefers to occupy Jahn–Teller-like distorted octahedral holes

Magnetoelectric effect in (BiFeO3x–(BaTiO31-x solid solutions

Directory of Open Access Journals (Sweden)

Kowal Karol

2015-03-01

Full Text Available The aim of the present work was to study magnetoelectric effect (ME in (BiFeO3x-(BaTiO31-x solid solutions in terms of technological conditions applied in the samples fabrication process. The rapidly growing interest in these materials is caused by their multiferroic behaviour, i.e. coexistence of both electric and magnetic ordering. It creates possibility for many innovative applications, e.g. in steering the magnetic memory by electric field and vice versa. The investigated samples of various chemical compositions (i.e. x = 0.7, 0.8 and 0.9 were prepared by the solid-state sintering method under three sets of technological conditions differing in the applied temperature and soaking time. Measurements of the magnetoelectric voltage coefficient αME were performed using a dynamic lock-in technique. The highest value of αME was observed for 0.7BiFeO3-0.3BaTiO3 solid solution sintered at the highest temperature (T = 1153 K after initial electrical poling despite that the soaking time was reduced 10 times in this case.

Solid electrolytes Sr(Ba)6Nb(Ta)2O11 with structural disordering of oxygen sublattice

International Nuclear Information System (INIS)

Nejman, A.Ya.; Podkorytov, A.L.; Yurkovskaya, N.Yu.; Zhukovskij, V.M.

1986-01-01

Electric conductivity at alternating and direct current and ratio of ionic component of conductivity in M 2 O-M 2 5 O 5 systems (M 2 -Sr, Ba; M 5 -Nb, Ta) are measured. High ionic conductivity of M 6 2 M 2 5 O 11 compounds is shown to be conducted by structural disordering of oxygen sublattice

Characterization of Rh films on Ta(110)

International Nuclear Information System (INIS)

Jiang, L.Q.; Ruckman, M.W.; Strongin, M.

1989-01-01

The surface and electronic structure of Rh films on Ta(110) up to several monolayers thick on Ta(110) are characterized by photoemission, Auger emission, low energy electron diffraction and low energy ion scattering. From the variation of the Rh Auger peak-to-peak intensity as a function of evaporation time, Rh/Ta(110) appears to grow in the Stranski-Krastanov mode at room temperature. However, the LEIS data show that the Rh adatoms begin to cluster on Ta(110) before growth of the monolayer is completed. Diffuse LEED scattering suggests that the Rh films are disordered. Photoemission shows that Rh chemisorption on Ta(110) generates two peaks located at 1.2 and 2. 5 eV binding energy during the initial phase of thin film growth (0 3.7 ML). Photoemission data for CO covered surfaces show that CO dissociates on the Rh/Ta(110) surface for Rh coverages less than 2.5 ML and also show that the Rh clusters develop at least one site capable of molecular CO adsorption above 0.3 ML Rh coverage. 38 refs., 5 figs

Inhibition of adenocarcinoma TA3 ascites tumor growth by rifamycin derivatives

Energy Technology Data Exchange (ETDEWEB)

Hughes, A M; Tenforde, T S; Calvin, M; Bissell, M J; Tischler, A N; Bennett, E L

1978-01-01

A growth inhibitory effect on adenocarcinoma TA3 ascites tumors in LAF/sub 1//J mice resulted from the repeated IP administration of subtoxic doses of 3 rifamycin derivatives: rifampicin (Rif)/sup 1/, dimethylbenzyldesmethylrifampicin (DMB), and rifazone-8/sub 2/ (R-8/sub 2/). A high-viscosity methylcellulose vehicle was found to be essential for obtaining a uniform drug suspension and a significant antitumor effect by the least water soluble derivatives, DMB and and R-8/sub 2/. The more hydrophilic derivative, Rif, was found to have a comparable growth inhibitory effect on TA3 cells when prepared in 0.9% NaCl solution with or without added methylcellulose. Oral or SC drug injections did not have an antitumor effect. The results of this study point to the importance of vehicle and route of administration in chemotherapy trials with these compounds.

The novel superacid systems HSO3F-Nb(SO3F)5 and HSO3F-Ta(SO3F)5

International Nuclear Information System (INIS)

Cicha, W.V.; Aubke, F.

1989-01-01

The in situ oxidation of niobium and tantalum in HSO 3 F by bis(fluorosulfuryl) peroxide, S 2 O 6 F 2 , results in the formation of solvated Lewis acids M(SO 3 F) 5 , M = Nb or Ta. Both solutes behave as moderately strong, monoprotonic acids, based on electrical conductivity measurements over the concentration range 0-0.05 m and on conductometric titrations against KSO 3 F. These measurements suggest a general order of acidity, Au(SO 3 F) 3 > Ta(SO 3 F) 5 ≥ SbF 5 > Nb(SO 3 F) 5 > NbF 5 , all giving rise to monoprotonic acids. Supporting evidence comes from 1 H, 19 F, and 93 Nb NMR spectroscopy and the successful isolation and characterization of complexes of the type Cs n [M(SO 3 F) 5+n ], with M = Nb or Ta and n = 1 or 2, from these solutions

Chemically and compositionally modified solid solution disordered multiphase nickel hydroxide positive electrode for alkaline rechargeable electrochemical cells

Science.gov (United States)

Ovshinsky, Stanford R.; Corrigan, Dennis; Venkatesan, Srini; Young, Rosa; Fierro, Christian; Fetcenko, Michael A.

1994-01-01

A high capacity, long cycle life positive electrode for use in an alkaline rechargeable electrochemical cell comprising: a solid solution nickel hydroxide material having a multiphase structure that comprises at least one polycrystalline .gamma.-phase including a polycrystalline .gamma.-phase unit cell comprising spacedly disposed plates with at least one chemical modifier incorporated around the plates, the plates having a range of stable intersheet distances corresponding to a 2.sup.+ oxidation state and a 3.5.sup.+, or greater, oxidation state; and at least one compositional modifier incorporated into the solid solution nickel hydroxide material to promote the multiphase structure.

Specific features of kinetics of He/sup 3/-He/sup 4/ solid solution transformations at superlow temperatures

Energy Technology Data Exchange (ETDEWEB)

Mikheev, V A; Majdanov, V A; Mikhin, N P

1986-06-01

The NMR data on the phase transition kinetics of /sup 3/He-/sup 4/He solid solutions at T=100 mK are considered. Studied are solid helium samples of a molecular volume of 20.55 cm/sup 2//mol with a /sup 3/He content of 0.54%. An unusually long phase transition time is found which is dependent on the prehistory of sample. The spin diffusion of /sup 3/He in the transformated solution concentrated phase is found to be of a quasi-one-dimensional nature with the diffusion coefficient value typical of liquid.

Simultaneous solution algorithms for Eulerian-Eulerian gas-solid flow models: Stability analysis and convergence behaviour of a point and a plane solver

International Nuclear Information System (INIS)

Wilde, Juray de; Vierendeels, Jan; Heynderickx, Geraldine J.; Marin, Guy B.

2005-01-01

Simultaneous solution algorithms for Eulerian-Eulerian gas-solid flow models are presented and their stability analyzed. The integration algorithms are based on dual-time stepping with fourth-order Runge-Kutta in pseudo-time. The domain is solved point or plane wise. The discretization of the inviscid terms is based on a low-Mach limit of the multi-phase preconditioned advection upstream splitting method (MP-AUSMP). The numerical stability of the simultaneous solution algorithms is analyzed in 2D with the Fourier method. Stability results are compared with the convergence behaviour of 3D riser simulations. The impact of the grid aspect ratio, preconditioning, artificial dissipation, and the treatment of the source terms is investigated. A particular advantage of the simultaneous solution algorithms is that they allow a fully implicit treatment of the source terms which are of crucial importance for the Eulerian-Eulerian gas-solid flow models and their solution. The numerical stability of the optimal simultaneous solution algorithm is analyzed for different solids volume fractions and gas-solid slip velocities. Furthermore, the effect of the grid resolution on the convergence behaviour and the simulation results is investigated. Finally, simulations of the bottom zone of a pilot-scale riser with a side solids inlet are experimentally validated

Purification of uranothorite solid solutions from polyphase systems

Energy Technology Data Exchange (ETDEWEB)

Clavier, Nicolas, E-mail: nicolas.clavier@icsm.fr [ICSM, UMR 5257 CEA/CNRS/UM2/ENSCM, Site de Marcoule – Bât. 426, BP 17171, 30207 Bagnols/Cèze cedex (France); Szenknect, Stéphanie; Costin, Dan Tiberiu; Mesbah, Adel; Ravaux, Johann [ICSM, UMR 5257 CEA/CNRS/UM2/ENSCM, Site de Marcoule – Bât. 426, BP 17171, 30207 Bagnols/Cèze cedex (France); Poinssot, Christophe [CEA/DEN/DRCP/DIR, Site de Marcoule – Bât. 400, BP 17171, 30207 Bagnols/Cèze cedex (France); Dacheux, Nicolas [ICSM, UMR 5257 CEA/CNRS/UM2/ENSCM, Site de Marcoule – Bât. 426, BP 17171, 30207 Bagnols/Cèze cedex (France)

2013-10-15

Graphical abstract: Display Omitted -- Highlights: •Purification of Th{sub 1−x}U{sub x}SiO{sub 4} uranothorites from oxide mixture was investigated. •Repetition of centrifugation steps was discarded due to poor recovery yields. •Successive washings in acid and basic media allowed the elimination of oxide secondary phases. •Structural and microstructural characterization of the purified samples was provided. -- Abstract: The mineral coffinite, nominally USiO{sub 4}, and associated Th{sub 1−x}U{sub x}SiO{sub 4} uranothorite solid solutions are of great interest from a geochemical point of view and in the case of the direct storage of spent nuclear fuels. Nevertheless, they clearly exhibit a lack in the evaluation of their thermodynamic data, mainly because of the difficulties linked with their preparation as pure phases. This paper thus presents physical and chemical methods aiming to separate uranothorite solid solutions from oxide additional phases such as amorphous SiO{sub 2} and nanometric crystallized Th{sub 1−y}U{sub y}O{sub 2}. The repetition of centrifugation steps envisaged in first place was rapidly dropped due to poor recovery yields, to the benefit of successive washings in acid then basic media. Under both static and dynamic flow rates (i.e. low or high rate of leachate renewal), ICP-AES (Inductively Coupled Plasma – Atomic Emission Spectroscopy) analyses revealed the systematic elimination of Th{sub 1−y}U{sub y}O{sub 2} in acid media and of SiO{sub 2} in basic media. Nevertheless, two successive steps were always needed to reach pure samples. On this basis, a first cycle performed in static conditions was chosen to eliminate the major part of the accessory phases while a second one, in dynamic conditions, allowed the elimination of the residual impurities. The complete purification of the samples was finally evidenced through the characterization of the samples by the means of PXRD (Powder X-Ray Diffraction), SEM (Scanning Electron

Investigation of a 0.52 eV absorption band of n-type Ge1-xSix solid solutions irradiated with fast electrons at 77 K

International Nuclear Information System (INIS)

Abbasov, Sh.M.; Allakhverdiev, K.R.; Agaverdieva, G.T.; Bakhyshov, N.A.; Nagiev, A.I.

1987-01-01

Solid solutions belonging to the Ge 1-x Si x system are among the promising semiconductor materials. There is no published information on the absorption band in the region of 0.52 eV in Ge 1-x Si x solid solutions irradiated with fast electrons. The authors determined the infrared absorption spectra, impurity photoconductivity, and Hall effect of n-type Ge 1-x Si x solid solutions doped with antimony. These solid solutions were irradiated at 77 K with 5 MeV electrons in doses up to 2 x 10 17 cm -2 . This irradiation was carried out by a method described in Ref. 3

Relaxations in Ba{sub 2}BiTaO{sub 6} ceramics investigated by impedance and electric modulus spectroscopies

Energy Technology Data Exchange (ETDEWEB)

Rodrigues, Joao Elias Figuereido Soares [Departamento de Fisica - CCET, Universidade Federal do Maranhao, Campus do Bacanga, 65085-580, Sao Luis -MA (Brazil); Paschoal, Carlos William de Araujo, E-mail: paschoal@ufma.br [Departamento de Fisica - CCET, Universidade Federal do Maranhao, Campus do Bacanga, 65085-580, Sao Luis -MA (Brazil); Silva, Eder Nascimento [Departamento de Fisica - CCET, Universidade Federal do Maranhao, Campus do Bacanga, 65085-580, Sao Luis -MA (Brazil); Mince, Kathryn A.; Lufaso, Michael W. [Department of Chemistry, University of North Florida, 1 UNF Drive, Jacksonville, FL 32224 (United States)

2012-03-15

Highlights: Black-Right-Pointing-Pointer We have confirmed that the relaxation observed in Ba{sub 2}BiTaO{sub 6} is due to the conduction mechanism. Black-Right-Pointing-Pointer The conduction mechanism is the oxygen vacancies hopping. Black-Right-Pointing-Pointer We have explained because the activation energy for the Ba{sub 2}BiTaO{sub 6} is lower than observed for Ba{sub 2}BiSbO{sub 6} with basis in zero-point energy of both materials. Black-Right-Pointing-Pointer We have showed that a minor secondary phase is a minor secondary phase, which is common when the BBTO is obtained by ceramic method under air, does not change significantly the electrical properties of BBTO. -- Abstract: Impedance spectroscopy analysis of the dielectric properties of a Ba{sub 2}BiTaO{sub 6} ceramic was performed in the temperature range from room temperature to 500 K. The sample was prepared using conventional solid state synthesis under air and the X-ray diffraction shows the presence of Ba{sub 5}Ta{sub 4}O{sub 15} as a minor secondary phase (0.09%). The impedance data clearly show contributions of the grain and grain boundary. The results indicate that the conduction in Ba{sub 2}BiTaO{sub 6} is due to hopping of oxygen vacancies and that the impurities not influence the conduction mechanism.

A New Class of Ternary Compound for Lithium-Ion Battery: from Composite to Solid Solution.

Science.gov (United States)

Wang, Jiali; Wu, Hailong; Cui, Yanhua; Liu, Shengzhou; Tian, Xiaoqing; Cui, Yixiu; Liu, Xiaojiang; Yang, Yin

2018-02-14

Searching for high-performance cathode materials is a crucial task to develop advanced lithium-ion batteries (LIBs) with high-energy densities for electrical vehicles (EVs). As a promising lithium-rich material, Li 2 MnO 3 delivers high capacity over 200 mAh g -1 but suffers from poor structural stability and electronic conductivity. Replacing Mn 4+ ions by relatively larger Sn 4+ ions is regarded as a possible strategy to improve structural stability and thus cycling performance of Li 2 MnO 3 material. However, large difference in ionic radii of Mn 4+ and Sn 4+ ions leads to phase separation of Li 2 MnO 3 and Li 2 SnO 3 during high-temperature synthesis. To prepare solid-solution phase of Li 2 MnO 3 -Li 2 SnO 3 , a buffer agent of Ru 4+ , whose ionic radius is in between that of Mn 4+ and Sn 4+ ions, is introduced to assist the formation of a single solid-solution phase. The results show that the Li 2 RuO 3 -Li 2 MnO 3 -Li 2 SnO 3 ternary system evolves from mixed composite phases into a single solid-solution phase with increasing Ru content. Meanwhile, discharge capacity of this ternary system shows significantly increase at the transformation point which is ascribed to the improvement of Li + /e - transportation kinetics and anionic redox chemistry for solid-solution phase. The role of Mn/Sn molar ratio of Li 2 RuO 3 -Li 2 MnO 3 -Li 2 SnO 3 ternary system has also been studied. It is revealed that higher Sn content benefits cycling stability of the system because Sn 4+ ions with larger sizes could partially block the migration of Mn 4+ and Ru 4+ from transition metal layer to Li layer, thus suppressing structural transformation of the system from layered-to-spinel phase. These findings may enable a new route for exploring ternary or even quaternary lithium-rich cathode materials for LIBs.

Simple thermodynamic model of the extension of solid solution of Cu-Mo alloys processed by mechanical alloying

International Nuclear Information System (INIS)

Aguilar, C.; Guzman, D.; Rojas, P.A.; Ordonez, Stella; Rios, R.

2011-01-01

Highlights: → Extension of solid solution in Cu-Mo systems achieved by mechanical alloying. → Simple thermodynamic model to explain extension of solid solution of Mo in Cu. → Model gives results that are consistent with the solubility limit extension reported in other works. - Abstract: The objective of this work is proposing a simple thermodynamic model to explain the increase in the solubility limit of the powders of the Cu-Mo systems or other binary systems processed by mechanical alloying. In the regular solution model, the effects of crystalline defects, such as; dislocations and grain boundary produced during milling were introduced. The model gives results that are consistent with the solubility limit extension reported in other works for the Cu-Cr, Cu-Nb and Cu-Fe systems processed by mechanical alloying.

Solid solution inhomogeneity in DC-cast AlMn(Fe,Si) ingots

International Nuclear Information System (INIS)

Lakner, J.; Kovacs-Csetenyi, E.; Lal, K.

1990-01-01

The aim of this work was to characterize the structure in cast state of the AlMn1 alloy containing different Fe and Si concentration. The casting parameters were intended to keep constant and the effect of impurities was studied. The inhomogeneity along the diameter of cast billet was characterized by the dendrite arm spacing and by the solid solution content. To explain the results the model developed for binary AlFe and AlMn alloys was applied

Safety assessment for TA-48 radiochemical operations

International Nuclear Information System (INIS)

1994-08-01

The purpose of this report is to document an assessment performed to evaluate the safety of the radiochemical operations conducted at the Los Alamos National Laboratory operations area designated as TA-48. This Safety Assessment for the TA-48 radiochemical operations was prepared to fulfill the requirements of US Department of Energy (DOE) Order 5481.1B, ''Safety Analysis and Review System.'' The area designated as TA-48 is operated by the Chemical Science and Technology (CST) Division and is involved with radiochemical operations associated with nuclear weapons testing, evaluation of samples collected from a variety of environmental sources, and nuclear medicine activities. This report documents a systematic evaluation of the hazards associated with the radiochemical operations that are conducted at TA-48. The accident analyses are limited to evaluation of the expected consequences associated with a few bounding accident scenarios that are selected as part of the hazard analysis. Section 2 of this report presents an executive summary and conclusions, Section 3 presents pertinent information concerning the TA-48 site and surrounding area, Section 4 presents a description of the TA-48 radiochemical operations, and Section 5 presents a description of the individual facilities. Section 6 of the report presents an evaluation of the hazards that are associated with the TA-48 operations and Section 7 presents a detailed analysis of selected accident scenarios

Drought-responsive WRKY transcription factor genes TaWRKY1 and TaWRKY33 from wheat confer drought and/or heat resistance in Arabidopsis.

Science.gov (United States)

He, Guan-Hua; Xu, Ji-Yuan; Wang, Yan-Xia; Liu, Jia-Ming; Li, Pan-Song; Chen, Ming; Ma, You-Zhi; Xu, Zhao-Shi

2016-05-23

Drought stress is one of the major causes of crop loss. WRKY transcription factors, as one of the largest transcription factor families, play important roles in regulation of many plant processes, including drought stress response. However, far less information is available on drought-responsive WRKY genes in wheat (Triticum aestivum L.), one of the three staple food crops. Forty eight putative drought-induced WRKY genes were identified from a comparison between de novo transcriptome sequencing data of wheat without or with drought treatment. TaWRKY1 and TaWRKY33 from WRKY Groups III and II, respectively, were selected for further investigation. Subcellular localization assays revealed that TaWRKY1 and TaWRKY33 were localized in the nuclei in wheat mesophyll protoplasts. Various abiotic stress-related cis-acting elements were observed in the promoters of TaWRKY1 and TaWRKY33. Quantitative real-time PCR (qRT-PCR) analysis showed that TaWRKY1 was slightly up-regulated by high-temperature and abscisic acid (ABA), and down-regulated by low-temperature. TaWRKY33 was involved in high responses to high-temperature, low-temperature, ABA and jasmonic acid methylester (MeJA). Overexpression of TaWRKY1 and TaWRKY33 activated several stress-related downstream genes, increased germination rates, and promoted root growth in Arabidopsis under various stresses. TaWRKY33 transgenic Arabidopsis lines showed lower rates of water loss than TaWRKY1 transgenic Arabidopsis lines and wild type plants during dehydration. Most importantly, TaWRKY33 transgenic lines exhibited enhanced tolerance to heat stress. The functional roles highlight the importance of WRKYs in stress response.

Gold nanoparticles embedded in Ta 2 O 5 /Ta 3 N 5 as active visible-light plasmonic photocatalysts for solar hydrogen evolution

KAUST Repository

Luo, Yujing

2014-07-10

Here, we demonstrate a new recreating photocatalytic activity of a Nano Au/Ta2O5 composite for hydrogen evolution from water as a visible-light-responsive plasmonic photocatalyst by embedding Au nanoparticles in a Ta2O5 host lattice. The Nano Au/Ta2O 5 composite samples were prepared through a simple Pechini-type sol-gel process. Further nitridating Nano Au/Ta2O5 composite samples in ammonia flow at 1123 K yielded Nano Au/Ta3N 5 composite samples. The obtained Nano Au/Ta3N5 composite exhibited a significantly enhanced photocatalytic activity in the visible region for hydrogen evolution from water compared with blank Ta 3N5 nanoparticles. UV-visible diffuse reflectance spectra and photocatalytic activity measurements indicated that the excitation of surface plasmon resonance of Au nanoparticles is responsible for the new recreating photocatalytic activity of the Nano Au/Ta2O5 composite and significantly enhanced photocatalytic activity of the Nano Au/Ta3N5 composite for hydrogen evolution in the visible region, which might be ascribed to the charge transfer effect in Nano Au/Ta 2O5 composite and the synergetic effect of charge transfer and near-field electromagnetic effect in Nano Au/Ta3N5 composite induced by surface plasmon resonance of embedded Au nanoparticles. The current study could provide a new paradigm for designing plasmonic metal/semiconductor composite systems for photocatalytic, photovoltaic and other optoelectronic devices. © the Partner Organisations 2014.

New ternary tantalum borides containing boron dumbbells: Experimental and theoretical studies of Ta{sub 2}OsB{sub 2} and TaRuB

Energy Technology Data Exchange (ETDEWEB)

Mbarki, Mohammed; Touzani, Rachid St.; Rehorn, Christian W.G.; Gladisch, Fabian C. [Institute of Inorganic Chemistry, RWTH Aachen University, D-52056 Aachen (Germany); Fokwa, Boniface P.T., E-mail: bfokwa@ucr.edu [Institute of Inorganic Chemistry, RWTH Aachen University, D-52056 Aachen (Germany); Department of Chemistry, University of California Riverside (UCR), Riverside, CA 92521 (United States)

2016-10-15

The new ternary transition metal-rich borides Ta{sub 2}OsB{sub 2} and TaRuB have been successfully synthesized by arc-melting the elements in a water-cooled crucible under an argon atmosphere. The crystal structures of both compounds were solved by single-crystal X-ray diffraction and their metal compositions were confirmed by EDX analysis. It was found that Ta{sub 2}OsB{sub 2} and TaRuB crystallize in the tetragonal Nb{sub 2}OsB{sub 2} (space group P4/mnc, no. 128) and the orthorhombic NbRuB (space group Pmma, no. 51) structure types with lattice parameters a=5.878(2) Å, c=6.857(2) Å and a=10.806(2) Å, b=3.196(1) Å, c=6.312(2) Å, respectively. Furthermore, crystallographic, electronic and bonding characteristics have been studied by density functional theory (DFT). Electronic structure relaxation has confirmed the crystallographic parameters while COHP bonding analysis indicates that B{sub 2}-dummbells are the strongest bonds in both compounds. Moreover, the formation of osmium dumbbells in Ta{sub 2}OsB{sub 2} through a Peierls distortion along the c-axis, is found to be the origin of superstructure formation. Magnetic susceptibility measurements reveal that the two phases are Pauli paramagnets, thus confirming the theoretical DOS prediction of metallic character. Also hints of superconductivity are found in the two phases, however lack of single phase samples has prevented confirmation. Furthermore, the thermodynamic stability of the two modifications of AMB (A=Nb, Ta; M =Ru, Os) are studied using DFT, as new possible phases containing either B{sub 4}- or B{sub 2}-units are predicted, the former being the most thermodynamically stable modification. - Graphical abstract: The two new ternary tantalum borides, Ta{sub 2}OsB{sub 2} and TaRuB, have been discovered. Their crystal structures contain boron dumbbells, which are the strongest bonds. Peirls distortion is found responsible for Os{sub 2}-dumbbells formation in Ta{sub 2}OsB{sub 2}. Ta{sub 2}OsB{sub 2} and

Nickel Alloy, Corrosion and Heat-Resistant, Sheet, Strip, and Plate 72Ni - 15.5Cr - 0.95 (Cb (Nb) + Ta) - 2.5Ti - 0.70Al - 7.0Fe Consumable Electrode, Remelted or Vacuum Induction Melted, Solution Heat Treated, Precipitation-Hardenable

CERN Document Server

SAE Aerospace Standards. London

2012-01-01

Nickel Alloy, Corrosion and Heat-Resistant, Sheet, Strip, and Plate 72Ni - 15.5Cr - 0.95 (Cb (Nb) + Ta) - 2.5Ti - 0.70Al - 7.0Fe Consumable Electrode, Remelted or Vacuum Induction Melted, Solution Heat Treated, Precipitation-Hardenable

Social shaping of technology in TA and HTA

DEFF Research Database (Denmark)

Clausen, Christian; Yoshinaka, Yutaka

2004-01-01

The paper discusses how the social shaping of technology (SST) approach may be useful in understanding the role played by technology assessment within the context of technological development and change. It is proposed that an SST perspective on TA (or HTA) yields particular insight, regardless...... of whether or not the TA activity bases itself on a social shaping understanding of technology. This is because SST addresses the socially negotiated character of technological development, where TA itself may be construed as an element influencing the process of such negotiation. At the same time, TA...... is a construction, that is, itself a product of negotiations involving social actors. Thus, an understanding that TA is socially shaped, and is involved in the shaping of technology, opens up for a perspective on TA as both entailing constraints and enablements within the context of the particular agenda...

Contribution have the survey of the transformation {sup 181}Hf {yields} {sup 181}Ta (17 {mu}s) {yields} {sup 181}Ta; Contribution a l'etude de la transformation {sup 181}Hf {yields} {sup 181}Ta (17 {mu}s) {yields} {sup 181}Ta

Energy Technology Data Exchange (ETDEWEB)

Baullini, R; Chaminade, R; Desneiges, P; Grjebine, T; Quidort, J; Wahl, R [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1953-07-01

The metastable state of Ta, whose period is around 20 microseconds, has been discovered by De BENEDETTI and Mc GOWAM who done measurements of deferred coincidences between the particles beta and the electrons of conversion given out by the hafnium radiated by thermal neutrons. We measured the period of {sup 181}Ta{sup *} by measures of deferred coincidences {beta}-e{sup -} and {beta}-{gamma}. A method of survey of the specter of photons amplitudes emitted by {sup 181}Ta{sup *} has been fit. This method permitted to solve the presence of {gamma} in the radiation emitted in synchronism with the deexcitation of {sup 181}Ta{sup *}. Finally in a last chapter, we propose a method of dosage of the {sup 181}Hf in presence of other radioelements. (M.B.) [French] L'etat metastable de Ta, dont la periode est voisine de 20 microsecondes, a ete decouvert par DE BENEDETTI et Mc GOWAM qui effectuaient des mesures de coincidences differees entre les particules beta et les electrons de conversion emis par du hafnium irradie par des neutrons thermiques. Nous avons mesure la periode de {sup 181}Ta{sup *} par des mesures de coincidences differees {beta}-e{sup -} et {beta}-{gamma}. Une methode d'etude du spectre d'amplitudes des photons emis par {sup 181}Ta{sup *} a ete mise au point. Cette methode a permis d'eclaircir la presence de {gamma} dans le rayonnement emis en synchronisme avec la desexcitation de {sup 181}Ta{sup *}. Enfin dans un dernier chapitre, on proposera une methode de dosage du {sup 181}Hf en presence d'autres radioelements. (M.B.)

Fabrication of electrocatalytic Ta nanoparticles by reactive sputtering and ion soft landing

Energy Technology Data Exchange (ETDEWEB)

Johnson, Grant E.; Moser, Trevor; Engelhard, Mark; Browning, Nigel D.; Laskin, Julia

2016-11-07

About 40 years ago, it was shown that tungsten carbide exhibits similar catalytic behavior to Pt for certain commercially relevant reactions, thereby suggesting the possibility of cheaper and earth-abundant substitutes for costly and rare precious metal catalysts. In this work, reactive magnetron sputtering of Ta in the presence of three model hydrocarbons (2-butanol, heptane, and m-xylene) combined with gas aggregation and ion soft landing was employed to prepare organic-inorganic hybrid nanoparticles (NPs) on surfaces for evaluation of catalytic activity and durability. The electro-catalytic behavior of the NPs supported on glassy carbon was evaluated in acidic aqueous solution by cyclic voltammetry. The Ta-heptane and Ta-xylene NPs were revealed to be active and robust toward promotion of the oxygen reduction reaction, an important process occurring at the cathode in fuel cells. In comparison, pure Ta and Ta-butanol NPs were essentially unreactive. Characterization techniques including atomic force microscopy (AFM), X-ray photoelectron spectroscopy (XPS), and transmission electron microscopy (TEM) were applied to probe how different sputtering conditions such as the flow rates of gases, sputtering current, and aggregation length affect the properties of the NPs. AFM images reveal the focused size of the NPs as well as their preferential binding along the step edges of graphite surfaces. In comparison, TEM images of the same NPs on carbon grids show that they bind randomly to the surface with some agglomeration but little coalescence. The TEM images also reveal morphologies with crystalline cores surrounded by amorphous regions for NPs formed in the presence of 2-butanol and heptane. In contrast, NPs formed in the presence of m-xylene are amorphous throughout. XPS spectra indicate that while the percentage of Ta, C, and O in the NPs varies depending on the sputtering conditions and hydrocarbon employed, the electron binding energies of the elements are similar

Neutron diffraction radiation of solid solution of carbon and hydrogen in the α-titanium in the homogeneity domain

International Nuclear Information System (INIS)

Mirzaev, B.B.; Khidirov, I.; Mukhtarova, N.N.

2005-01-01

In the work by the neutron-graph the homogeneity domain of the introduction solid solution TiC x H y is determined. The sample neutron grams have been taken on the neutron diffractometer (λ=.1085 nm) installed at the thermal column of the WWR-SM reactor (INF AN RUz). For the phase analysis and estimation of solid solutions homogeneity the X-ray graph was used. X-ray grams were taken on the X-ray diffractometer DRON-3M with use of CuK α radiation (λ=0.015418 nm)

Two transcription factors TaPpm1 and TaPpb1 co-regulate anthocyanin biosynthesis in purple pericarps of wheat

Science.gov (United States)

Jiang, Wenhui; Liu, Tianxiang; Nan, Wenzhi; Jeewani, Diddugodage Chamila; Niu, Yanlu; Li, Chunlian; Shi, Xue; Wang, Cong; Wang, Jiahuan; Li, Yang; Wang, Zhonghua

2018-01-01

Abstract Purple pericarps of bread wheat (Triticum aestivum L.) are a useful source of dietary anthocyanins. Previous mapping results indicated that the purple pericarp trait is controlled by two complementary genes located on chromosomes 7D and 2A. However, the identity of the genes and the mechanisms by which they regulate the trait are unknown. In this study, two transcription factors were characterised as anthocyanin activators in purple pericarps: TaPpm1 (purple pericarp-MYB 1) and TaPpb1 (purple pericarp-bHLH 1). Three non-functional variants were detected in the coding sequence of TaPpm1 from non-purple seed lines, in which the function of TaPpm1 was destroyed either by insertion-induced frame shifts or truncated peptides. There were six 261-bp tandem repeats in the promoter region of TaPpb1 in the purple-grained varieties, while there was only one repeat unit present in the non-purple varieties. Furthermore, using yeast two-hybrid, dual luciferase, yeast one-hybrid, and transient assays, we were able to demonstrate that the interaction of TaPpm1 and TaPpb1 co-regulates the synthesis of anthocyanin. Overall, our results provide a better understanding of the molecular basis of anthocyanin synthesis in the wheat pericarp and indicate the existence of an integrated regulatory mechanism that controls production. PMID:29562292

Study of the sintering process and the formation of a (Th, U) O2 solid solution

International Nuclear Information System (INIS)

Tomasi, Roberto

1979-01-01

The effect of some variables in the (Th, U) O 2 sintering process and solid solution formation was studied. ThO 2 , U 3 O 8 and UO 2 powder were prepared. The ThO 2 powders were obtained by calcination of thorium at 500 and 750 deg C; the U 3 O 8 powders were derived from the calcination of ADU at 660 and 750 deg C; the UO 2 powder were prepared from ADU and from ATCU. The different characteristics of these materials were determined by measurements of surface area, by scanning electron microscopy, tap density tests, X-ray diffractometry and by measurements of the O/U ratios. The oxide mixtures were chosen in order to produce a final composition with 10 w/o of UO 2 . A mixture of thorium oxalate and ADU was also prepared by calcining these salts in air at 700 deg C, in order to obtain certain amount of solid solution prior to sintering. The sintering operations were developed in an argon atmosphere at temperatures between 1400 and 1700 deg C, during interval varying from 1 to 4 hours. The effect of the mixture characteristics on the sintering process and solid solution formation were studied considering the results of densification, microstructure development and X-ray diffractometry. The ThO 2 powder characteristics have a main effect on the mixtures compactability and sinterability, the higher calcining temperatures increasing the green density, but decreasing the final density of the sintered pellets. In the sintering of mixtures containing U 3 O 3 , this oxide is reduced to UO 2 and it is possible to obtain pellets with density and microstructures similar to those produced from mixtures containing UO 2 . But if oxygen in excess is present during sintering, the process is affected, occurring exaggerated grain growth. The densification results were related to the Coble's kinetics equation for second stage of sintering, valid for bulk diffusion, grain boundary acting as vacancy sinks. The sintering activation energy is independent from the powder starting

Critical role of the semiconductor-electrolyte interface in photocatalytic performance for water-splitting reactions using Ta3N5 particles

KAUST Repository

Nurlaela, Ela

2014-08-26

Distinct photocatalytic performance was observed when Ta3N 5 was synthesized from commercially available Ta2O 5 or from Ta2O5 prepared from TaCl5 via the sol-gel route. With respect to photocatalytic O2 evolution with Ag+ as a sacrificial reagent, the Ta3N5 produced from commercial Ta2O5 exhibited higher activity than the Ta3N5 produced via the sol-gel route. When the Ta3N5 photocatalysts were decorated with Pt nanoparticles in a similar manner, the Ta3N5 from the sol-gel route exhibited higher photocatalytic hydrogen evolution activity from a 10% aqueous methanol solution than Ta3N5 prepared from commercial Ta2O5 where no hydrogen can be detected. Detailed surface and bulk characterizations were conducted to obtain fundamental insight into the resulting photocatalytic activities. The characterization techniques, including XRD, elemental analysis, Raman spectroscopy, UV-vis spectroscopy, and surface-area measurements, revealed only negligible differences between these two photocatalysts. Our thorough characterization of the surface properties demonstrated that the very thin outermost layer of Ta3N5, with a thickness of a few nanometers, consists of either the reduced state of tantalum (TaN) or an amorphous phase. The extent of this surface layer was likely dependent on the nature of precursor oxide surfaces. DFT calculations based on partially oxidized Ta3N4.83O0.17 and N deficient Ta3N4.83 consisting of reduced Ta species well described the optoelectrochemical properties obtained from the experiments. Electrochemical and Mott-Schottky analyses demonstrated that the surface layer drastically affects the energetic picture at the semiconductor-electrolyte interface, which can consequently affect the photocatalytic performance. Chemical etching of the surface of Ta3N5 particles to remove this surface layer unites the photocatalytic properties with the photocatalytic performance of these two materials. Mott-Schottky plots of these chemically etched Ta3N5 materials

The Wheat Mediator Subunit TaMED25 Interacts with the Transcription Factor TaEIL1 to Negatively Regulate Disease Resistance against Powdery Mildew.

Science.gov (United States)

Liu, Jie; Zhang, Tianren; Jia, Jizeng; Sun, Jiaqiang

2016-03-01

Powdery mildew, caused by the biotrophic fungal pathogen Blumeria graminis f. sp. tritici, is a major limitation for the production of bread wheat (Triticum aestivum). However, to date, the transcriptional regulation of bread wheat defense against powdery mildew remains largely unknown. Here, we report the function and molecular mechanism of the bread wheat Mediator subunit 25 (TaMED25) in regulating the bread wheat immune response signaling pathway. Three homoalleles of TaMED25 from bread wheat were identified and mapped to chromosomes 5A, 5B, and 5D, respectively. We show that knockdown of TaMED25 by barley stripe mosaic virus-induced gene silencing reduced bread wheat susceptibility to the powdery mildew fungus during the compatible plant-pathogen interaction. Moreover, our results indicate that MED25 may play a conserved role in regulating bread wheat and barley (Hordeum vulgare) susceptibility to powdery mildew. Similarly, bread wheat ETHYLENE INSENSITIVE3-LIKE1 (TaEIL1), an ortholog of Arabidopsis (Arabidopsis thaliana) ETHYLENE INSENSITIVE3, negatively regulates bread wheat resistance against powdery mildew. Using various approaches, we demonstrate that the conserved activator-interacting domain of TaMED25 interacts physically with the separate amino- and carboxyl-terminal regions of TaEIL1, contributing to the transcriptional activation activity of TaEIL1. Furthermore, we show that TaMED25 and TaEIL1 synergistically activate ETHYLENE RESPONSE FACTOR1 (TaERF1) transcription to modulate bread wheat basal disease resistance to B. graminis f. sp. tritici by repressing the expression of pathogenesis-related genes and deterring the accumulation of reactive oxygen species. Collectively, we identify the TaMED25-TaEIL1-TaERF1 signaling module as a negative regulator of bread wheat resistance to powdery mildew. © 2016 American Society of Plant Biologists. All Rights Reserved.

Computational modeling of chemical reactions and interstitial growth and remodeling involving charged solutes and solid-bound molecules.

Science.gov (United States)

Ateshian, Gerard A; Nims, Robert J; Maas, Steve; Weiss, Jeffrey A

2014-10-01

Mechanobiological processes are rooted in mechanics and chemistry, and such processes may be modeled in a framework that couples their governing equations starting from fundamental principles. In many biological applications, the reactants and products of chemical reactions may be electrically charged, and these charge effects may produce driving forces and constraints that significantly influence outcomes. In this study, a novel formulation and computational implementation are presented for modeling chemical reactions in biological tissues that involve charged solutes and solid-bound molecules within a deformable porous hydrated solid matrix, coupling mechanics with chemistry while accounting for electric charges. The deposition or removal of solid-bound molecules contributes to the growth and remodeling of the solid matrix; in particular, volumetric growth may be driven by Donnan osmotic swelling, resulting from charged molecular species fixed to the solid matrix. This formulation incorporates the state of strain as a state variable in the production rate of chemical reactions, explicitly tying chemistry with mechanics for the purpose of modeling mechanobiology. To achieve these objectives, this treatment identifies the specific theoretical and computational challenges faced in modeling complex systems of interacting neutral and charged constituents while accommodating any number of simultaneous reactions where reactants and products may be modeled explicitly or implicitly. Several finite element verification problems are shown to agree with closed-form analytical solutions. An illustrative tissue engineering analysis demonstrates tissue growth and swelling resulting from the deposition of chondroitin sulfate, a charged solid-bound molecular species. This implementation is released in the open-source program FEBio ( www.febio.org ). The availability of this framework may be particularly beneficial to optimizing tissue engineering culture systems by examining the

Synthesis and properties of γ-Ga2O3-Al2O3 solid solutions

Science.gov (United States)

Afonasenko, T. N.; Leont'eva, N. N.; Talzi, V. P.; Smirnova, N. S.; Savel'eva, G. G.; Shilova, A. V.; Tsyrul'nikov, P. G.

2017-10-01

The textural and structural properties of mixed oxides Ga2O3-Al2O3, obtained via impregnating γ-Al2O3 with a solution of Ga(NO3)3 and subsequent heat treatment, are studied. According to the results from X-ray powder diffraction, gallium ions are incorporated into the structure of aluminum oxide to form a solid solution of spinel-type γ-Ga2O3-Al2O3 up to a Ga2O3 content of 50 wt % of the total weight of the sample, accompanied by a reduction in the specific surface area, volume, and average pore diameter. It is concluded that when the Ga2O3 content exceeds 50 wt %, the β-Ga2O3 phase is observed along with γ-Ga2O3-Al2O3 solid solution. 71Ga and 27Al NMR spectroscopy shows that gallium replaces aluminum atoms from the tetrahedral position to the octahedral coordination in the structure of γ-Ga2O3-Al2O3.

Development of Ta-based Superconducting Tunnel Junction X-ray Detectors for Fluorescence XAS

International Nuclear Information System (INIS)

Friedrich, S.; Drury, O.; Hall, J.; Cantor, R.

2009-01-01

We are developing superconducting tunnel junction (STJ) soft X-ray detectors for chemical analysis of dilute samples by fluorescence-detected X-ray absorption spectroscopy (XAS). Our 36-pixel Nb-based STJ spectrometer covers a solid angle (Omega)/4π ∼ 10 -3 , offers an energy resolution of ∼10-20 eV FWHM for energies up to ∼1 keV, and can be operated at total count rates of ∼10 6 counts/s. For increased quantum efficiency and cleaner response function, we have now started the development of Ta-based STJ detector arrays. Initial devices modeled after our Nb-based STJs have an energy resolution below 10 eV FWHM for X-ray energies below 1 keV, and pulse rise time discrimination can be used to improve their response function for energies up to several keV. We discuss the performance of the Ta-STJs and outline steps towards the next-generation of large STJ detector arrays with higher sensitivity.