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Sample records for bi1-xcaxfeo1-xtixo3 solid solutions

  1. Solid solution luminescence properties

    International Nuclear Information System (INIS)

    Concentration and kinetic dependences of cathodo- and radioluminescence of Mn2+ ion in CaF2 base solid solutions with Zr, Hf, Pb additions are studied. It is shown that introduction of 2-3 mass % of Zr and Hf into matrix composition causes increase of Mn2+ luminescence intensity with simultaneous increase of persistance duration and a small shift of luminescence band to larger wave lengths. Pb introduction results in efficient quenching of luminescence. 5 refs.; 3 figs.; 1 tab

  2. Barium calcium hydroxyapatite solid solutions

    International Nuclear Information System (INIS)

    The replacement of calcium by barium in the hydroxyapatite structure by solid-state reaction at different temperatures and by precipitation from an aqueous system has been investigated by X-ray diffraction and i.r. absorption analyses. The products obtained by solid-state reaction at 1200 deg C are solid solutions over the range of barium concentration 60 to 100 atom %. The lattice dimensions and the i.r. frequencies of the solid solutions vary linearly with the atom % of barium. Only small amounts of barium can be incorporated in hydroxyapatite by precipitation from the aqueous system. (author)

  3. Radionuclide solubility control by solid solutions

    International Nuclear Information System (INIS)

    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)SO4 solid solutions. In some scenarios describing a waste repository system for spent nuclear fuel in crystalline rocks 226Ra 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)SO4 is much lower than the one calculated with RaSO4 as solubility limiting phase. Especially, the available literature data for the interaction parameter WBaRa, which describes the non-ideality of the solid solution, vary by about one order of magnitude (Zhu, 2004; Curti et al., 2010). The final 226Ra 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)SO4 solid solutions and (2) the kinetics of Ra uptake. A novel approach

  4. 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

  5. Synthesis of solid solutions of perovskites

    Energy Technology Data Exchange (ETDEWEB)

    Dambekalne, M.Y.; Antonova, M.K.; Perro, I.T.; Plaude, A.V.

    1986-03-01

    The authors carry out thermographic studies, using a derivatograph, in order to understand the nature of the processes taking place during the synthesis of solid solutions of perovskites. Based on the detailed studies on the phase transformations occurring in the charges of the PSN-PMN solid solutions and on the selection of the optimum conditions for carrying out their synthesis, the authors obtained a powder containing a minimum quantity of the undesirable pyrochlore phase and by sintering it using the hot pressing method, they produced single phase ceramic specimens containing the perovskite phase alone with a density close to the theoretical value and showing zero apparent porosity and water absorption.

  6. Interdiffusion in uranium-zirconium solid solutions

    International Nuclear Information System (INIS)

    Interdiffusion coefficients in the (γ-U, β-Zr) solid solutions have been measured in the temperature range of 973 to 1223 K and in the Zr concentration range of 0.1 to 0.95 atomic fraction. The data measured at lower temperature than 1223 K have shown notable depression in the Zr concentration range of 0.2 to 0.4 atomic fraction. The dependencies of the obtained data on alloy composition and temperature are consistent with variation of the thermodynamic factor which is calculated based on the evaluation of the activity coefficient in the U-Zr system. The interdiffusion coefficient in the neighborhood of the Zr atomic fraction of 0.3 cannot be expressed by a single set of a frequency factor and an activation energy because of the significant influence of the thermodynamic factor on the interdiffusivity in the U-Zr solid solutions. (orig.)

  7. Uranothorite solid solutions: From synthesis to dissolution

    International Nuclear Information System (INIS)

    USiO4 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 Th1-xUxSiO4 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 (Th1-yUyO2 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)

  8. 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.

  9. Stuffed rare earth pyrochlore solid solutions

    International Nuclear Information System (INIS)

    Synthesis and crystal structures are described for the compounds Ln 2(Ti2-xLnx )O7-x/2, where Ln=Tb, Dy, Ho, Er, Tm, Yb, Lu, and x ranges from 0 to 0.67. Rietveld refinements of X-ray powder diffraction data indicate that in the Tb and Dy titanate pyrochlores, the extra Ln 3+ cations mix mainly on the Ti4+ site with little disorder on the original Ln 3+ site. For the smaller rare earths (Ho-Lu), stuffing additional lanthanide ions results in a pyrochlore to defect fluorite transition, where the Ln 3+ and Ti4+ ions become completely randomized at the maximum (x=0.67). Initial magnetic characterization for the fully stuffed x=0.67 samples for Ln=Tb-Yb shows no long range ordering down to 2 K, and only partial saturation of the full expected magnetic moment under applied fields up to 5 T. In all of these Ln-Ti-O pyrochlores, the addition of magnetic Ln 3+ in place of non-magnetic Ti4+ adds edge sharing tetrahedral spin interactions to a normally corner sharing tetrahedral network of spins. The increase in spin connectivity in this family of solid solutions represents a new avenue for investigating geometrical magnetic frustration in the rare earth titanate pyrochlores. - Graphical abstract: A simplified model of the transition from pyrochlore to fluorite in the series Ln 2(Ti2-xLnx )O7-x/2 (Ln=Tb-Lu, 0≤x≤0.67), with Ho as an example. The separate corner sharing tetrahedral lattices of cations in the pyrochlore structure develop into edge sharing tetrahedra as extra Ln is stuffed in place of Ti. The increased spin connectivity in these new materials represents a new avenue of study in the well-known rare earth titanate pyrochlores in view of geometrical magnetic frustration

  10. Radiation processes in crystal solid solutions

    CERN Document Server

    Gladyshev, Gennadi

    2012-01-01

    This is a monograph explaining processes occurring in two classes of crystal solids (metal alloys and doped alkali halide) under irradiation by various types of radiation (alpha, beta, gamma, X-radiations, ions). This e-book is a useful reference for advanced readers interested in the physics of radiation and solid state physics.

  11. Modeling supercritical fluid extraction process involving solute-solid interaction

    Energy Technology Data Exchange (ETDEWEB)

    Goto, M.; Roy, B. Kodama, A.; Hirose, T. [Kumamoto Univ., Kumamoto (Japan)

    1998-04-01

    Extraction or leaching of solute from natural solid material is a mass transfer process involving dissolution or release of solutes from a solid matrix. Interaction between the solute and solid matrix often influences the supercritical fluid extraction process. A model accounting for the solute-solid interaction as well as mass transfer is developed. The BET equation is used to incorporate the interaction and the solubility of solutes into the local equilibrium in the model. Experimental data for the supercritical extraction of essential oil and cuticular wax from peppermint leaves are successfully analyzed by the model. The effects of parameters on the extraction behavior are demonstrated to illustrate the concept of the model. 18 refs., 5 figs., 1 tab.

  12. Thermal conductivity of VN-CrN system solid solutions

    International Nuclear Information System (INIS)

    The thermal conductivity of VN-CrN system solid solutions in the temperature range from 100 to 1000 K is studied. It is shown that the Lorentz number for solid solutions from the CrN side exceeds the value of the Lorentz number L=π2/3(k/e)2, (where k is a Boltzmann constant, and e is an electron charge) which is connected with the bipolar thermodiffusion effect. The Lorentz number for solid solutions from the VN side decreases in comparison with L--π2/3(k/e)2 because of electron scattering on optical phonons. Depending on the solid solution composition observed are various temperature dependences of lattice thermal conductivity at temperatures above the Debye temperature

  13. 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)

    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)

  14. Solid Tumors: Facts, Challenges and Solutions

    Directory of Open Access Journals (Sweden)

    Gavhane Y. N.

    2011-01-01

    Full Text Available In 2005, 7.6 million people died of cancer out of 58 million deaths worldwide. Based on projections, cancer deaths will continue to rise with an estimated 9 million people dying from cancer in 2015, and 11.4 million dying in 2030. The increasing trend of cancer incidence has forced the humanity to work more on the cancer prevention and treatments. It is important for the public health professionals to understand the dynamics and kinetics of tumor incidence for future strategies. Over here we have reviewed solid tumor modeling, their detail classification, treatment strategies available along with their merits and demerits. To overcome these limitations, design focus for future studies is suggested.

  15. Thaumasite-ettringite solid solutions in degraded mortars

    International Nuclear Information System (INIS)

    The thaumasite form of sulfate attack (TSA) has been observed in mortar prisms made from Portland-limestone cements after laboratory storage in 1.8% magnesium sulfate solution at 5 deg. C for 5 years. The prisms all showed evident signs of degradation, which increased with increasing limestone content. X-ray powder diffraction indicated that a solid solution was formed in all the prisms, which was based on the crystal structure of thaumasite, but extended towards the chemical composition of ettringite. The prism made from the cement with the highest level (35%) of limestone replacement gave the greatest amount of the thaumasite solid solution and had a composition close to the thaumasite end member, whereas those cements with lower (15%, 5% and 0%) levels of replacement gave reduced amounts of the solid solution and had greater lattice parameters. The solid solutions that have been observed are compared with those reported by Barnett et al. for synthetic thaumasite samples grown from sucrose solution

  16. 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.

  17. Screw dislocations and microtwinning in vanadium and its solid solutions

    International Nuclear Information System (INIS)

    Investigated were the deformation strengthening curves, the slippage geometry and the evolution of the dislocation structure of single crystals of vanadium and of solid solution V + 5 at. % Ta, subjected to single-axis tension along the direction [11O] at rates of 10-2 and 1.6x10-3 s-1. It was found that on changing from pure vanadium to the solid solution the extent of the 1-st stage decreases and the coefficient of strengthening at the 2-nd and the 3-rd stages of the deformation strengthening curve increases. The increase in the degree of deformation gives rise to a non-uniform distribution of screw dislocations in the dislocation structure. A greater rate of deformation induces micro-twinning in solid-solution single crystals

  18. Thermal conductivity of halide solid solutions: measurement and prediction.

    Science.gov (United States)

    Gheribi, Aïmen E; Poncsák, Sándor; St-Pierre, Rémi; Kiss, László I; Chartrand, Patrice

    2014-09-14

    The composition dependence of the lattice thermal conductivity in NaCl-KCl solid solutions has been measured as a function of composition and temperature. Samples with systematically varied compositions were prepared and the laser flash technique was used to determine the thermal diffusivity from 373 K to 823 K. A theoretical model, based on the Debye approximation of phonon density of state (which contains no adjustable parameters) was used to predict the thermal conductivity of both stoichiometric compounds and fully disordered solid solutions. The predictions obtained with the model agree very well with our measurement. A general method for predicting the thermal conductivity of different halide systems is discussed. PMID:25217938

  19. Solid-State and Solution Characterization of Myricetin.

    Science.gov (United States)

    Franklin, Stephen J; Myrdal, Paul B

    2015-12-01

    Myricetin (MYR) is a natural compound that has been investigated as a chemopreventative agent. MYR has been shown to suppresses ultraviolet B (UVB)-induced cyclooxygenase-2 (COX-2) protein expression and reduce the incidence of UVB-induced skin tumors in mice. Despite MYR's promise as a therapeutic agent, minimal information is available to guide the progression of formulations designed for future drug development. Here, data is presented describing the solid-state and solution characterization of MYR. Investigation into the solid-state properties of MYR identified four different crystal forms, two hydrates (MYR I and MYR II) and two metastable forms (MYR IA and MYR IIA). From solubility studies, it was evident that all forms are very insoluble (antioxidants to the solution. MYR was found to have good stability following exposure to ultraviolet radiation (UVR), which is a consideration for topical applications. Finally, a partitioning study indicated that MYR possess a log P of 2.94 which, along with its solid-state properties, contributes to its poor aqueous solubility. Both the solid-state properties and solution stability of MYR are important to consider when developing future formulations. PMID:25986594

  20. Solid Solution Model for Interstellar Dust Grains and Their Organics

    Science.gov (United States)

    Freund, Minoru M.; Freund, Friedemann T.

    2006-03-01

    We present a dust grain model based on the fundamental principle of solid solutions. The model is applicable to the mineral (silicate) component of the dust in the interstellar medium (ISM). We show that nanometer-sized mineral grains, which condense in the gas-rich outflow of late-stage stars or expanding gas shells of supernova explosions, do not consist of just high melting point oxides or silicates. Instead they form solid solutions with gas-phase components H2O, CO, and CO2 that are omnipresent in environments where the grains condense. Through a series of thermodynamically well-understood solid-state processes, these solid solutions become ``parents'' of organic matter that precipitates inside the grains. Thus, the mineral dust grains and their organics become part of the same thermodynamically defined solid phase and, hence, physically inseparable. This model can account for many astronomical observations, which no prior model can adequately address, specifically: (1) Organics in the diffuse ISM are identified by a 3.4 μm IR band, characteristic of aliphatic hydrocarbons composed of CH2 and of CH3 groups. (2) The methylene-to-methyl ratio is nearly constant, implying a CH2:CH3 ratio of ~5:2. (3) The intensity ratio between the 9.7 and the 3.4 μm band is nearly constant, implying a silicate-to-organics ratio of ~10:1. (4) In dense clouds the complex 3.4 μm band is replaced by a weak, featureless 3.47 μm band. (5) Whereas silicate grains identified by their 9.7 μm band tend to align in magnetic fields, grains with a strong 3.4 μm organic signature do not tend to align.

  1. Solid solutions of hydrogen in niobium, molybdenum and their alloys

    International Nuclear Information System (INIS)

    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 0K to 1273 0k 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)

  2. Thermal conductivities of Zr-based transuranium nitride solid solutions

    International Nuclear Information System (INIS)

    In this study, the authors prepared sintered samples of (Zr0.58Pu0.21Am0.21)N, (Zr0.80Pu0.10Am0.10)N, and (Zr0.70Np0.06Pu0.15Am0.075Cm0.015)N solid solutions. The thermal diffusivities and heat capacities of these Zr-based transuranium nitride solid solutions were measured using a laser flash method and drop calorimetry, respectively. Thermal conductivities from 473 to 1,473 K were determined from the measured thermal diffusivity, heat capacity, and bulk density. The thermal conductivities of Zr-based transuranium nitride solid solutions were found to be higher than that of (Pu0.5Am0.5)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. At 873 K, the thermal conductivities of ZrN, (Zr0.58Pu0.21Am0.21)N, (Zr0.80Pu0.10Am0.10)N, (Zr0.70Np0.06Pu0.15Am0.075Cm0.015)N, and (Pu0.5Am0.5)N were 63.9, 15.8, 25.5, 20.6, and 8.9 Wm-1K-1, respectively. In these results, the thermal conductivities of the Zr-based transuranium nitride solid solutions increased with increasing ZrN concentration. (author)

  3. Magnetic clusters in ilmenite-hematite solid solutions

    DEFF Research Database (Denmark)

    Frandsen, Cathrine; Burton, B. P.; Rasmussen, Helge Kildahl; McEnroe, S. A.; Mørup, Steen

    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...

  4. X-Ray Characterization of Non-Equilibrium Solid Solutions

    International Nuclear Information System (INIS)

    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 Kα2 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

  5. A Calorimeter for Measuring the Enthalpy of Solution of Solid A Calorimeter for Measuring the Enthalpy of Solution of Solid

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    An apparatus for measuring the enthalpy of solution of solids in supercritical fluids (SCFs) was constructed. The enthalpy of solution (ΔH) of naphthalene in supercritical (SC) CO2 was measured at 308.15 K in the pressure range from 8~11 MPa. It was found that ΔH was negative in the pressure range from 8 to 10 MPa, and the absolute value of ΔH decreases with increasing pressure. However, ΔH became positive at the pressures higher than 10 MPa. This unusual phenomenon can be explained by clustering between CO2 and naphthalene.

  6. Theromdynamics of carbon in nickel-based multicomponent solid solutions

    Energy Technology Data Exchange (ETDEWEB)

    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/sup 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/sub 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.

  7. 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, in...... particularfor vehicle propulsion, and electrochemical and constructional factors. It isargued that the energy obtainable at a given load is limited by saturation ofthe surface layers of cathode particles with cations, and that the time beforesaturation occurs is determined by diffusion of cations and electrons...... diffusioncoefficient in the solid exceeds 10–10 cm2 sec–1. On the basis of an approximaterelation between cathode thickness and electrode spacing the specificenergy for the Li/TiS2 system with organic electrolyte is estimated to be 120–150W-hr/kg in agreement with published values. ©1979 The Electrochemical Society...

  8. METHOD FOR PREPARING URANIUM MONOCARBIDE-PLUTONIUM MONOCARBIDE SOLID SOLUTION

    Science.gov (United States)

    Ogard, A.E.; Leary, J.A.; Maraman, W.J.

    1963-03-19

    A method is given for preparing solid solutions of uranium monocarbide- plutonium monocarbide. In this method, the powder form of uranium dioxide, plutonium dioxide, and graphite are mixed in a ratio determined by the equation: xUO/sub 2/ + yPuO/sub 2/ + (2+z)C yields UxPu/sub y/C/sub z/ +2CO, where x + y equ al 1.0 and z is greater than 0.9 but less than 1.0. The resulting mixture is compacted and heated in a vacuum at a temperature of 1850 deg C. (AEC)

  9. Solid Solutions Aqueous Solutions reactions between Jarosite and its Chromate Analog

    Energy Technology Data Exchange (ETDEWEB)

    Baron, Darrin Keith; Palmer, Carl David

    2002-08-01

    The sulfate mineral jarosite (KFe3(SO4)2(OH)6), its chromate analog (KFe3(CrO4)2(OH)6), and seven precipitates with intermediate compositions (KFe3(CrXS(1-X)O4)2(OH)6) were synthesized. The unit cell volume of the precipitates is closely represented by a linear function of composition, suggesting a continuous solid solution. This solid solution dissolves stoichiometrically according to KFe3(CrXS(1-X)O4)2(OH)6 + 6H+?K++3Fe3++ 2X CrO42- + (2 - 2X) SO42- + 6H2O and reaches stoichiometric saturation after approximately 40 d. Log KSS values calculated from samples taken after 1090 d are consistently lower than what would be expected for an ideal solid solution, indicating that the excess free energy of mixing, GE, is negative. GE calculated from the log KSS values can be closely modeled by the one-parameter Guggenheim expansion GE = XCrJar XJar RT a0 where a0 is -4.9 ± 0.8, XCrJar and XJar are the mole fractions of KFe3(CrO4)2(OH)6 and KFe3(SO4)2(OH)6 in the solids, R is the gas constant, and T the absolute temperature. Based on the calculated excess free energy, a Lippmann diagram with a modified abscissa was constructed.

  10. RIXS investigations of liquids, solutions, and liquid/solid interfaces

    International Nuclear Information System (INIS)

    Highlights: ► Review of the experimental approach for investigating gases, liquids, and solutions with soft X-ray techniques. ► Gas and liquid cells as well as a high-resolution, high-transmission X-ray spectrometer are discussed. ► By using some examples, we show how detailed information about the electronic structure of liquids, and gases is gained. -- Abstract: We summarize our development of instrumentation for the study of liquids, aqueous solutions, and liquid/solid interfaces using resonant inelastic soft X-ray scattering (RIXS) and illustrate the value of the experimental approach with a few instructional examples. Using a high-transmission, high-resolution soft X-ray spectrometer, we are able to measure complete RIXS maps, i.e., record the soft X-ray emission intensity as a function of emission and absorption energy. As a first example, we show that a comparison of RIXS maps of “normal” and deuterated liquid and gas-phase water allows us to identify dissociation processes on the time scale of the oxygen 1 s core-hole lifetime. Similar dissociation effects are found for aqueous solutions of ammonia and amino acids. For the latter, the pH value has a strong influence on the nitrogen K emission spectra, which can thus be used to identify protonation and deprotonation processes in the solution. Finally, we review the investigation of the interface between liquid water and a CuIn(S,Se)2 thin-film solar cell absorber, demonstrating the power of the technique to study liquid–solid interfaces in real-world systems. Under X-ray irradiation, the formation of sulfate on the absorber surface can be found

  11. Synthesis and characterization of cadmium-calcium hydroxyapatite solid solutions

    Institute of Scientific and Technical Information of China (English)

    Xin Zhao; Yi-nian Zhu; Liu-qin Dai

    2014-01-01

    A series of cadmium-calcium hydroxyapatite solid solutions was prepared by an aqueous precipitation method. By various means, the characterizations confirmed the formation of continuous solid solutions over all ranges of Cd/(Cd+Ca) atomic ratio. In the results, both lattice parameters a and c display slight deviations from Vegard’s rule when the Cd/(Cd+Ca) atomic ratio is greater than 0.6. The particles change from smaller acicular to larger hexagonal columnar crystals as the Cd/(Cd+Ca) atomic ratio increases from 0-0.60 to 0.60-1.00. The area of the phosphate peak for symmetric P-O stretching decreases with the increase in Cd/(Cd+Ca) atomic ratio, and the peak disappears when the Cd/(Cd+Ca) atomic ratio is greater than 0.6; the two phosphate peaks of P-O stretching gradually merge together for the Cd/(Cd+Ca) atomic ratio near 0.60. These variations can be explained by a slight tendency of larger Cd ions to occupy M(2) sites and smaller Ca ions to prefer M(1) sites in the structure.

  12. Thermodynamic investigations of CdTe-HgTe solid solutions

    Energy Technology Data Exchange (ETDEWEB)

    Nasar, A.; Shamsuddin, M. (Dept. of Metallurgical Engineering, Banaras Hindu Univ., Varanasi (India))

    1991-08-10

    The activity of CdTe in pseudobinary CdTe-HgTe solid solution (with CdTe added in 10 mol.% increments) has been determined in the temperature range 735-840 K by an electrochemical technique using LiCl-KCl+5 wt.% CdCl{sub 2} as the molten salt electrolyte. The activity of HgTe has been calculated by Gibbs-Duhem integration using the {alpha} function. From the e.m.f. values measured at different temperatures, various partial and excess thermodynamic quantities, namely {Delta}anti G{sup M}{sub CdTe}, {Delta}anti H{sup M}{sub CdTe}, {Delta}anti S{sup XS}{sub CdTe}, {Delta}anti G{sup XS}{sub CdTe} and {Delta}anti S{sup XS}{sub CdTe}, have been obtained. The corresponding thermodynamic parameters for HgTe have also been computed. The integral molar properties of the solid solutions have been estimated from the partial quantities of the two components, CdTe and HgTe. (orig.).

  13. Specific heats of thoria–urania solid solutions

    International Nuclear Information System (INIS)

    Thoria–urania solid solutions having compositions ThO2–4%UO2, ThO2–10%UO2, ThO2–20%UO2, ThO2–50%UO2 and ThO2–80%UO2 (all compositions are in wt%) were prepared by coated agglomerate pelletization (CAP) process and powder metallurgy (P/M) routes, characterized by ICP-AES, density, grain size, oxygen to metal (O/M) ratio, X-ray diffraction (XRD), lattice parameter and scanning electron microscope (SEM). Specific heats of pure ThO2, UO2 and these solid solutions were measured by differential scanning calorimeter in the temperature range from 300 to 1650 K. The results obtained in this study were compared with those available in the literature and on this basis it was found out that the molar specific heats of these substances obtained in the present study are within an accuracy limit of ±4%.

  14. Experimental and theoretical study of solid solution stability under irradiation

    International Nuclear Information System (INIS)

    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

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

    Science.gov (United States)

    Rai, R. N.; Kant, Shiva; Reddi, R. S. B.; Ganesamoorthy, S.; Gupta, P. K.

    2016-01-01

    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.

  16. Microstructure and luminescence of rare earth doped Li(Nb,Ti)O3 solid solutions

    International Nuclear Information System (INIS)

    Li1+x-yNb1-x-3yTix+4yO3 (0.11≤x≤0.33, 0≤y≤0.09) solid solutions in the Li2O-Nb2O5-TiO2 ternary system are known as M Phase with superstructure. Eu doped Li1+x-yNb1-x-3yTix+4yO3 (LNT) solid solutions were prepared by firing mixed powders at temperatures of 1120 deg. C for up to 24 hours. The interval of intergrowth layers of Eu doped LNT solid solution was as twice as that of no doped LNT solid solution. Another rare earth (Dy, Sm, Tm, Er) doped LNT solid solutions were also prepared each other. These LNT solid solutions with 20 mol%-TiO2 did possess a disorder structure, but did not possess a superstructure. PL intensity of Eu doped LNT solid solution was higher than Eu doped LiNbO3 (LN) solid solution. However, PL intensity of another rare earth doped LNT solid solutions was less than LN solid solutions each other. It was thought that the distribution of Eu and Ti and a relative distance between Eu and Ti were optimized by the formation of the superstructure and PL intensity of Eu doped LNT solid solutions increased.

  17. Zr and Sn substituted (NaBi)TiO based solid solutions

    OpenAIRE

    Ishchuk, V. M.; Gusakova, L. G.; Kisel, N. G.; Kuzenko, D. V.; Spiridonov, N. A.; Sobolev, V. L.

    2015-01-01

    Formation of phases during the solid state synthesis of the barium-modified NBT solid solutions, with substitutions of zirconium and tin ions for titanium are investigated. The synthesis is a multi-step process which is accompanied by the formation of a number of intermediate phases (depending on the solid solution composition and the synthesis temperature). Single phase solid solutions have been manufactured when the sintering temperature was increased to 1000-1100 C. An increase of the conc...

  18. Thermodynamics of CoO-MgO solid solutions

    International Nuclear Information System (INIS)

    Enthalpies of mixing in CoxMg1-xO solid solutions at T=298 K have been determined using high temperature drop solution calorimetry in molten sodium molybdate (3Na2O · 4MoO3) solvent at T=973 K. Slightly positive enthalpies of mixing were observed, which conform to a regular solution model with interaction parameter W=(5.1 ± 0.3) kJ · mol-1, which is similar to the interaction parameter calculated from previously measured activity-composition relations. Standard molar entropies Sm0 at T=298 K calculated from subambient Cp data for CoO, MgO are (52.8 ± 0.1) J · K-1 · mol-1 and (28.1 ± 0.1) J · K-1 · mol-1, respectively. Integration of the Cp,m/T of the Co0.50Mg0.50O mixture yields an entropy of (40.3 ± 0.1) J · K-1 · mol-1. This value does not include configurational entropy from the Co/Mg site disorder. The excess entropy of Co0.50Mg0.50O is zero within experimental error. Heat capacities were also measured between T=298 K and T=973 K. The enthalpies of mixing do not depend on temperature in this range

  19. Lattice thermal conductivity of nanograined half-Heusler solid solutions

    Energy Technology Data Exchange (ETDEWEB)

    Geng, Huiyuan, E-mail: genghuiyuan@hit.edu.cn; Meng, Xianfu; Zhang, Hao; Zhang, Jian [State Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001 (China)

    2014-05-19

    We report a phenomenological model of atomic weight, lattice constant, temperature, and grain size to calculate the high-temperature lattice thermal conductivity of nanograined solid solutions. The theoretical treatment developed here is reasonably consistent with the experimental results of n-type MNiSn and p-type MCoSb alloys, where M is the combination of Hf, Zr, and Ti. For disordered half-Heusler alloys with moderated grain sizes, we predict that the reduction in lattice thermal conductivity due to grain boundary scattering is independent of the scattering parameter, which characterizes the phonon scattering cross section of point defects. In addition, the lattice thermal conductivity falls off with temperature as T{sup –1∕2} around the Debye temperature.

  20. Luminescence spectra and kinetics of disordered solid solutions

    DEFF Research Database (Denmark)

    Klochikhin, A.; Reznitsky, A.; Permogorov, S.;

    1999-01-01

    We have studied both theoretically and experimentally the luminescence spectra and kinetics of crystalline, disordered solid solutions after pulsed excitation. First, we present the model calculations of the steady-state luminescence band shape caused by recombination of excitons localized...... only a relatively small group of ''radiative" states forms the steady-state luminescence band. The continuum percolation theory is applied to distinguish the ''radiative'' localized states, which are isolated in space and have no ways for nonradiative transitions along the tail states. It is found...... for the temporal evolution of the luminescence band. It is shown that the changes of band shape with time come from the interplay of population dynamics of extended states and spatially isolated ''radiative" states. Finally, the measurements of the decay of the spectrally integrated luminescence intensity at long...

  1. Applicability of Solid Solution Heat Treatments to Aluminum Foams

    Directory of Open Access Journals (Sweden)

    Miguel Rodríguez-Pérez

    2012-12-01

    Full Text Available Present research work evaluates the influence of both density and size on the treatability of Aluminum-based (6000 series foam-parts subjected to a typical solid solution heat treatment (water quenching. The results are compared with those obtained for the bulk alloy, evaluating the fulfilment of cooling requirements. Density of the foams was modeled by tomography analysis and the thermal properties calculated, based on validated density-scaled models. With this basis, cooling velocity maps during water quenching were predicted by finite element modeling (FEM in which boundary conditions were obtained by solving the inverse heat conduction problem. Simulations under such conditions have been validated experimentally. Obtained results address incomplete matrix hardening for foam-parts bigger than 70 mm in diameter with a density below 650 kg/m3. An excellent agreement has been found in between the predicted cooling maps and final measured microhardness profiles.

  2. Preparation and characterization of barium titanate stannate solid solutions

    Energy Technology Data Exchange (ETDEWEB)

    Horchidan, Nadejda, E-mail: NHorchidan@stoner.phys.uaic.ro [Department of Physics, ' Al. I. Cuza' University, Bv. Carol 11, Iasi 700506 (Romania); Ianculescu, Adelina C. [Department of Oxide Materials Science and Engineering, Polytechnics University, 1-7 Gh. Polizu, P.O. Box 12-134, 011061 Bucharest (Romania); Curecheriu, Lavinia P.; Tudorache, Florin [Department of Physics, ' Al. I. Cuza' University, Bv. Carol 11, Iasi 700506 (Romania); Musteata, Valentina [Institute of Macromolecular Chemistry ' Petru Poni' , Aleea Grigore Ghica Voda 41A, 700487 Iasi (Romania); Stoleriu, Stefania [Department of Oxide Materials Science and Engineering, Polytechnics University, 1-7 Gh. Polizu, P.O. Box 12-134, 011061 Bucharest (Romania); Dragan, Nicolae; Crisan, Dorel [Institute of Physical Chemistry ' Ilie Murgulescu' , Lab. of Oxide Materials Science, 202 Splaiul Independentei, 060021 Bucharest (Romania); Tascu, Sorin; Mitoseriu, Liliana [Department of Physics, ' Al. I. Cuza' University, Bv. Carol 11, Iasi 700506 (Romania)

    2011-04-07

    Research highlights: > BaSnxTi1-xO3 (x = 0; 0.05; 0.1; 0.15; 0.2) ceramics were prepared by solid state reaction and sintered at 13000C for 4h. > The phase purity, structural parameters and microstructural characteristics were investigated. > The dielectric properties were studied as function of temperature and frequency and empirical parameters {eta} and {delta} were calcutate. > The non-linear dielectric properties (tunability) of the samples were studied at room temperature. > By increasing the Sn addition, the {epsilon}(E) dependence tends to reduce its hysteresis behaviour. - Abstract: BaSn{sub x}Ti{sub 1-x}O{sub 3} (x = 0; 0.05; 0.1; 0.15; 0.2) solid solutions were prepared via conventional solid state reaction and sintered at 1300 {sup o}C for 4 h, resulting in dense single phase ceramics with homogeneous microstructures. Tetragonal symmetry for x {<=} 0.1, cubic for x = 0.2 and a superposition of tetragonal and cubic for x = 0.15 compositions were found by X-ray diffraction analysis. The temperature and frequency dependence of the complex dielectric constant and dc tunability were determined. A transformation from normal ferroelectric to relaxor with diffuse phase transition was observed with increasing the Sn concentration. All the investigated compositions show a relative tunability between 0.55 (for x = 0.2) and 0.74 (for x = 0.1), at a field amplitude of E = 20 kV/cm.

  3. Thermal expansion of solid solutions in apatite binary systems

    Energy Technology Data Exchange (ETDEWEB)

    Knyazev, Alexander V.; Bulanov, Evgeny N., E-mail: bulanoven@gmail.com; Korokin, Vitaly Zh.

    2015-01-15

    Graphical abstract: Thermal dependencies of volume thermal expansion parameter for with thermal expansion diagrams for Pb{sub 5}(PO{sub 4}){sub 3}F{sub x}Cl{sub 1−x}. - Highlights: • Solid solutions in three apatitic binary systems were investigated via HT-XRD. • Thermal expansion coefficients of solid solutions in the systems were calculated. • Features of the thermal deformation of the apatites were described. • Termoroentgenography is a sensitive method for the investigation of isomorphism. - Abstract: High-temperature insitu X-ray diffraction was used to investigate isomorphism and the thermal expansion of apatite-structured compounds in three binary systems in the entire temperature range of the existence of its hexagonal modifications. Most of the studied compounds are highly expandable (α{sub l} > 8 × 10{sup 6} (K{sup −1})). In Pb{sub 5}(PO{sub 4}){sub 3}F–Pb{sub 5}(PO{sub 4}){sub 3}Cl system, volume thermal expansion coefficient is independence from the composition at 573 K. In Pb{sub 5}(PO{sub 4}){sub 3}Cl–Pb{sub 5}(VO{sub 4}){sub 3}Cl, the compound with equimolar ratio of substituted atoms has constant volume thermal expansion coefficient in temperature range 298–973 K. Ca{sub 5}(PO{sub 4}){sub 3}Cl–Pb{sub 5}(PO{sub 4}){sub 3}Cl system is characterized by the most thermal sensitive composition, in which there is an equal ratio of isomorphic substituted atoms.

  4. The solid solutions (Ce1-xLax)RuSn

    International Nuclear Information System (INIS)

    X-Ray-pure samples of the solid solutions (Ce1-xLax)RuSn were obtained up to x = 0.5. Powder diffraction data show the CeRuSn-type superstructure up to x ∼ 0.3 and the CeCoAl-type subcell for higher lanthanum contents. The structure of a single crystal with x = 0.5 was refined on the basis of single-crystal X-ray diffractometer data: CeCoAl type, C2/m, a = 1160.8(2), b = 477.6(1), c = 511.6(1) pm, β = 102.97(2) , wR = 0.0510, 444 F2 values, 20 variables. Magnetic investigations were performed for all samples up to a lanthanum content of x = 0.4. No cooperative phenomena could be observed, and all samples show Curie-Weiss behavior above a certain temperature. The cerium valence is about 3.32(2) for all samples of the solid solution. Hence, La3+ has to replace Ce3+ as well as Ce4+ in a particular quantity. The electrical resistivity measurements confirm the suppression of the magnetic ordering and the structural transition upon replacement of cerium by lanthanum. 119Sn Moessbauer spectra of samples with x = 0.2 and 0.5 are indicative of single tin sites with isomer shifts of δ = 1.86(1) mm s-1 for x = 0.2 and δ = 1.88(1) mm s-1 for x = 0.5. Both signals are subject to significant quadrupole splitting, a consequence of the low site symmetry. Results of XANES measurements are perfectly in line with the cerium valences determined by susceptibility measurements and yield a constant value of 3.16(1) for all investigated compounds. (orig.)

  5. Two-dimensional fully adaptive solutions of solid--solid alloying reactions

    International Nuclear Information System (INIS)

    Solid--solid alloying reactions occur in a variety of pyrotechnical applications. They arise when a mixture of powders composed of appropriate oxidizing and reducing agents is heated. The large quantity of heat evolved produces a self-propagating reaction front that is often very narrow with sharp changes in both the temperature and the concentrations of the reacting species. Solution of problems of this type with an equispaced or mildly nonuniform grid can be extremely inefficient. In this paper we develop a two-dimensional fully adaptive method for solving problems of this class. The method adaptively adjusts the number of grid points needed to equidistribute a positive weight function over a given mesh interval in each direction at each time level. We monitor the solution from one time level to another to ensure that the local error per unti step associated with the time differencing method is below some specified tolerance. The method is applied to several examples involving exothermic, diffusion-controlled, self-propagating reactions in packed bed reactors

  6. Studies on mixed metal oxides solid solutions as heterogeneous catalysts

    Directory of Open Access Journals (Sweden)

    H. R. Arandiyan

    2009-03-01

    Full Text Available In this work, a series of perovskite-type mixed oxide LaMo xV1-xO3+δ powder catalysts (x = 0, 0.1, 0.3, 0.5, 0.7, 0.9, and 1.0, with 0.5 < δ < 1.5, prepared by the sol-gel process and calcined at 750ºC, provide an attractive and effective alternative means of synthesizing materials with better control of morphology. Structures of resins obtained during the gel formation process by FT-IR spectroscopy and XRD analysis showed that all the LaMo xV1-xO3+δ samples are single phase perovskite-type solid solutions. The surface area (BET between 2.5 - 5.0 m²/g (x = 0.1 and 1.0 respectively increases with increasing Mo ratio in the samples. They show high purity, good chemical homogeneity, and lower calcinations temperatures as compared with the solid-state chemistry route. SEM coupled to EDS and thermogravimetric analysis/differential thermal analyses (TGA/DTA have been carried out in order to evaluate the homogeneity of the catalyst. Finally, the experimental studies show that the calcination temperature and Mo content exhibited a significant influence on catalytic activity. Among the LaMo xV1-xO3+δ samples, LaMo0.7V0.3O4.2 showed the best catalytic activity for the topic reaction and the best activity and stability for ethane reforming at 850ºC under 8 bar.

  7. Segregation and clustering of solutes at grain boundaries in Mg–rare earth solid solutions

    International Nuclear Information System (INIS)

    The present study validates the previously reported investigations about segregation of rare-earth (RE) elements at grain boundaries in Mg–RE alloys and ultimately provides a direct visualization of the distribution of the solute atoms in the structure of a Mg–Gd alloy. It is demonstrated that Gd forms a solid solution within the Mg matrix in addition to substantial segregation at high-angle grain boundaries in the form of 1–2 nm clusters, with a postulated face-centered cubic Gd structure. The results suggest significant implications for the texture development during alloy processing and recrystallization, and thus for the mechanical behavior and properties of Mg–RE alloys

  8. 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

  9. Purification of uranothorite solid solutions from polyphase systems

    International Nuclear Information System (INIS)

    Graphical abstract: Display Omitted -- Highlights: •Purification of Th1−xUxSiO4 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 USiO4, and associated Th1−xUxSiO4 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 SiO2 and nanometric crystallized Th1−yUyO2. 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 Th1−yUyO2 in acid media and of SiO2 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 Microscopy) observations and X-EDS (X-Ray Energy Dispersive Spectroscopy) analyses

  10. Sustainable solutions for solid waste management in Southeast Asian countries

    International Nuclear Information System (INIS)

    Human activities generate waste and the amounts tend to increase as the demand for quality of life increases. Today's rate in the Southeast Asian Nations (ASEANs) is alarming, posing a challenge to governments regarding environmental pollution in the recent years. The expectation is that eventually waste treatment and waste prevention approaches will develop towards sustainable waste management solutions. This expectation is for instance reflected in the term 'zero emission systems'. The concept of zero emissions can be applied successfully with today's technical possibilities in the agro-based processing industry. First, the state-of-the-art of waste management in Southeast Asian countries will be outlined in this paper, followed by waste generation rates, sources, and composition, as well as future trends of waste. Further on, solutions for solid waste management will be reviewed in the discussions of sustainable waste management. The paper emphasizes the concept of waste prevention through utilization of all wastes as process inputs, leading to the possibility of creating an ecosystem in a loop of materials. Also, a case study, focusing on the citrus processing industry, is displayed to illustrate the application of the aggregated material input-output model in a widespread processing industry in ASEAN. The model can be shown as a closed cluster, which permits an identification of opportunities for reducing environmental impacts at the process level in the food processing industry. Throughout the discussion in this paper, the utilization of renewable energy and economic aspects are considered to adapt to environmental and economic issues and the aim of eco-efficiency. Additionally, the opportunities and constraints of waste management will be discussed.

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

    International Nuclear Information System (INIS)

    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)

  12. Solid solution cermet: (Ti,Nb)(CN)-Ni cermet.

    Science.gov (United States)

    Kwon, Hanjung; Jung, Sun-A

    2014-11-01

    Solid solution powders without W, (Ti,Nb)(CN) powders with a B1 structure (NaCl like), were synthesized by high energy milling and carbothermal reduction in nitrogen. The range of molar ratios of Ti/Nb for forming complete (Ti,Nb)(CN) phase was broader than that of Ti/W for the (Ti,W)(CN) phase because carbide or carbonitride of Nb had a B1 crystal structure identical to Ti(CN) while WC had a hexagonal crystal structure. The results revealed that the hardness of (Ti,Nb)(CN)-Ni cermets was higher than that of (Ti,W)(CN)-Ni cermets. The lower density of the (Ti,Nb)(CN) powder contributed to the higher hardness compared to (Ti,W)(CN) because the volumetric ratio of (Ti,Nb)(CN) in the (Ti,Nb)(CN)-Ni cermets was higher than that of (Ti,Nb)(CN) in the (Ti,W)(CN)-Ni cermets at the same weight ratio of Ni. Additionally, it was assumed that intrinsic the properties of (Ti,Nb)(CN) could also be the cause for the high hardness of the (Ti,Nb)(CN)-Ni cermets. PMID:25958611

  13. Study of solid solution strengthening of alloying element with phase structure factors

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    Using the empirical electron theory of solids and molecules (EET), the phase structure factors, nA and nB, of the carbon-containing structural units with mass fraction of carbon (wC) below 0.8% and the mono-alloy structural units with wC at 0.2% in austenite and martensite are calculated. The solid solution strengthening brought by C-containing interstitial solid solution and alloy-substitutional solid solution in γ-Fe and α-Fe is discussed at electron structural level. The coefficient (s) of solid solution strengthening is advanced according to the bonding force between atoms. The study shows that when the criterion is applied to the carbonaceous or alloying element-containing solid solution the results of calculation will coincide with the experimental result very well.

  14. Management of solid waste in Hyderabad city: problems and solutions

    International Nuclear Information System (INIS)

    This research paper is aimed to identify, explore, and disseminate the findings about the collection and transportation of solid waste in the second most populous city of Sindh province, Hyderabad. Working with a thorough understanding of existing system and practices in this city it is found that the imported solid waste management systems can not be successfully adopted. Therefore there is need of an indigenous approach for the management of solid waste in this one of the oldest city of the region. A successful community-involved attempt has been made to reshape the existing system of collection and transfer of solid waste by selecting Gulshan-e-Hali as a model colony. For this purpose a novel solid waste collection vehicle, Garbage Collection Rickshaw, was designed and operated satisfactorily. It is verified that incorporation of enhanced community participation can result ill significant and sustainable solid waste management improvements in the urban communities leading to improved living environment. (author)

  15. Solution and solid state characterization of a cadmium octaazacryptand complex

    Energy Technology Data Exchange (ETDEWEB)

    Thompson, J.A.; Barr, M.E.; Ford, D.K. [Los Alamos National Laboratory, NM (United States)] [and others

    1996-03-27

    The constant for cadmium binding by octaazacryptand L = N(CH{sub 2}CH{sub 2}NHCH{sub 2}CH{sub 2}NHCH{sub 2}CH{sub 2}){sub 3}N was determined by potentiometry; log {Beta}{sub ML}=18.3(1). Calculation of pM values (pM = -log [M]) show that L has the highest reported binding affinity for cadmium relative to other [2.2.2]polyoxa-polyaza cryptates. Two cadmium cryptate complexes, [CdL](BF{sub 4}){sub 2} (1a) and [CdL](OAc){sub 2}{center_dot}2H{sub 2}O (1b), were synthesized by metalation of the free cryptand. The molecular structures of compounds 1a and 1b were determined by X-ray diffraction. The cadmium ions in both complexes are eight-coordinate and display similar coordination geometries but different ligand conformations, designated as parallel and oblique. The cadmium coordination sphere is best described as a bicapped octahedron. Through 2D NMR experiments the authors have found that the Cd is in a symmetric environment and the conformation of the ligand in solution is consistent with the parallel conformation observed in one of the solid state structures. The {sup 113}Cd NMR shift of this eight-coordinate amine complex is 75 ppm relative to 0.1 M aqueous Cd(ClO{sub 4}){sub 2}, which correlates with shifts observed for other [2.2.2] cadmium polyoxa-polyaza cryptates.

  16. Equilibrium phases surrounding the αZr solid solution in the Zr-Sn-O system

    International Nuclear Information System (INIS)

    Phases in equilibrium with the αZr solid solution from 1010-1314oC (1287-1587 K) in zirconium-tin-oxygen alloys were characterized and their compositions were determined. The experimental results provide information on the equilibria of the αZr solid solution in order to propose tentative boundaries at isothermal sections of the phase diagram. (Author)

  17. Photoluminescence properties of layered Pb1-xCdxI2 solid solutions

    International Nuclear Information System (INIS)

    We have studied the photoluminescence spectra, including the time-resolved ones, and the photo-diffusion spectra of PbI2 crystals and Pb1-xCdxI2 solid solutions. It is established that these crystals have monopolar (hole) photoconductivity. The possibility of the formation of PbI2 clusters with various sizes in solid solutions is shown.

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

    International Nuclear Information System (INIS)

    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

  19. Computer simulation of disordered compounds and solid solutions

    International Nuclear Information System (INIS)

    This thesis is concerned with the calculation of the thermodynamic properties of solid solutions and disordered compounds containing a finite impurity or defect content. Throughout this work, a new simulation method, which we refer to as configurationally averaged lattice dynamics (QLD), has been used to investigate thermodynamic properties (such as the enthalpy, entropy, free energy and heat capacity) of a range of materials with different bonding characteristic. Phase diagrams and structural properties are also investigated. This new approach involves the fully dynamic free-energy minimisation of many configurations, unlike much previous work in which only one configuration has been considered. In Chapter 3, our new method is applied to calcia-doped zirconia (Zr1-xCaxO2-x (02+ ions and oxygen vacancies form clusters in which the vacancy is in a nearest-neighbour position relative to the Ca2+. In contrast, for finite defect concentrations, the predominant cluster is one in which the Ca2+ and the oxygen vacancy are next-nearest neighbours. In Chapter 4, the method is applied to the NiO/MgO system. In addition to QLD calculations, periodic Hartree-Fock (HF) calculations and modified Monte Carlo (MCX) simulations have also been carried out for comparison. Atomistic simulations (QLD and MCX) with full relaxation predict ΔHmix values that are less negative than those from the HF calculations in the static limit. The phase diagram is also calculated from the MCX calculations, indicating complete miscibility at temperatures as low as 200 K. In Chapter 5, both QLD and MCX methods are used to investigate the disordered metallic alloy Pd-Rh. At 300 K, vibrational contributions contribute significantly to the entropy, but not the enthalpy of mixing. The calculated consolute temperature is just above 1200 K in good agreement with experiment. In Chapter 6, we apply our new technique to the order-disorder phase transition of a complex oxygen-deficient perovskite Sr2Fe2O5. The

  20. Solution-liquid-solid growth of crystalline III-V semiconductors: An anology to vapor-liquid-solid growth

    Energy Technology Data Exchange (ETDEWEB)

    Trentler, T.J.; Hickman, K.M.; Goel, S.C. [and others

    1995-12-15

    Until now, micrometer-scale or larger crystals of the III-V semiconductors have not been grown at low temperatures for lack of suitable crystallization mechanisms for highly covalent nonmolecular solids. A solution-liquid-solid mechanism for the growth of InP, InAs, and GaAs is described that uses simple, low-temperature ({le}203{degrees}C), solution-phase reactions. The materials are produced as polycrystalline fibers or near-single-crystal whiskers having widths of 10 to 150 nanometers and lengths of up to several micrometers. This mechanism shows that processes analogous to vapor-liquid-solid growth can operate at low temperatures; similar synthesis routes for other covalent solids may be possible. 26 refs., 7 figs.

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

    International Nuclear Information System (INIS)

    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-Al12Mg17 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

  2. Solid-liquid interfacial energy of neopentylglycol solid solution in equilibrium with neopentylglycol-(D) camphor eutectic liquid

    Science.gov (United States)

    Bayram, Ü.; Aksöz, S.; Maraşlı, N.

    2012-01-01

    The grain boundary groove shapes for equilibrated solid neopentylglycol (NPG) solution (NPG-3 mol% D-camphor) in equilibrium with the NPG-DC eutectic liquid (NPG-36.1 mol% D-camphor) have been directly observed using a horizontal linear temperature gradient apparatus. From the observed grain boundary groove shapes, the Gibbs-Thomson coefficient ( Г), solid-liquid interfacial energy ( σSL) of NPG solid solution have been determined to be (7.5±0.7)×10 -8 K m and (8.1±1.2)×10 -3 J m -2, respectively. The Gibbs-Thomson coefficient versus TmΩ1/3, where Ω is the volume per atom was also plotted by linear regression for some organic transparent materials and the average value of coefficient ( τ) for nonmetallic materials was obtained to be 0.32 from graph of the Gibbs-Thomson coefficient versus TmΩ1/3. The grain boundary energy of solid NPG solution phase has been determined to be (14.6±2.3)×10 -3 J m -2 from the observed grain boundary groove shapes. The ratio of thermal conductivity of equilibrated eutectic liquid to thermal conductivity of solid NPG solution was also measured to be 0.80.

  3. (CuAlTe2)x(2ZnTe)1-x solid solutions

    International Nuclear Information System (INIS)

    (CuAlTe2)x(2ZnTe)1-x solid solutions were synthesized by single-temperature method over the all interval of concentrations. As it was established by X-ray diffraction the solid solutions were crystallized at 0.7 2 - 2ZnTe system, as was used for growing large-block crystals of the solid solutions by means of directional crystallization of melt (horizontal variant), was developed on the data of X-ray diffraction and differential thermal assays. It is determined that elementary lattice parameters vary linearly depending on x, microhardness - with maximum, and width of forbidden zone - with minimum for equimolar composition

  4. Thermal conductivity of the TiN-CrN system solid solutions

    International Nuclear Information System (INIS)

    Thermal conductivity of solid solutions of the TiN-CrN system within the temperature range from 100 to 1000 K has been investigated. The Lorentz number for solid solutions with 95-50 % Ti content has been determined. Calculated were electron and lattice constituents of thermal conductivity for the whole series of the silution. It is shown, that the Klemens theoretical model can not be used for solid solutions with great concentration of defects, and lattice constituent of thermal conductivity reduces with increasing ionic properties of compounds and increases with temperature

  5. 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.

  6. Local structure of the halite-sylvine solid solution according to the computer simulation data

    International Nuclear Information System (INIS)

    The structural, elastic, and thermodynamic properties of halite NaCl and sylvine KCl and the miscibility properties of the NaCl-KCl solid solution found by computer simulation are in good agreement with the experimental data. Analysis of the relaxation of the solid solution structure suggests that both anion and cation sublattices are distorted; however, the anion sublattice is distorted much more strongly. Calculations of the local bond valence at all types of ions in the solid solution show opposite deviations from the balance at cations, whereas the general balance is retained. The values of the electrostatic potential in the ion positions reflect weakening of bonding in the solid solution with respect to its pure components. In addition, with an increase in the average interatomic distance in the first coordination sphere around cations, the modulus of the electrostatic potential at cations decreases.

  7. Thermoelectric power of ferroelectric potassium vanadate, cesium vanadate, lithium vanadate and their solid solutions

    International Nuclear Information System (INIS)

    The thermoelectric power of the vanadates of potassium, cesium and lithium and their solid solutions was measured in the temperature range covering their transition points. The thermoelectric power measurement was carried out by the two-electrode technique for pellets of polycrystalline ceramic samples. The thermoelectric power increased with temperature initially, then decreased attaining a zero value at the transition temperature. As the concentration of KVO3 increased the thermoelectric power decreased for the solid solutions (Kx-Cssub(1-x), whereas the thermoelectric power increased with increase in concentration of KVO3 for the solid solutions (Kx-Lisub(1-x)VO3. Vanadates of potassium, cesium, and lithium and their solid solutions showed P type semiconductors behaviour in ferroelectric state and n type semiconductor behaviour in paraelectric region. (author). 11 refs., 4 figs

  8. Preparation and identification of substitutional solid solutions of InSb-CdTe system

    International Nuclear Information System (INIS)

    Solid substitutional solutions with cubic lattice of sphalerite on the basis of binary semiconducting compounds InSb, CdTe in the regions of mutual solubility are synthesized. They are identified using roentgenographic, thermographic, IR spectroscopic and electrophysical investigations

  9. Synthesis of crystalline ordered mesoporous CaO-ZrO2 solid solution as a promising solid base

    International Nuclear Information System (INIS)

    The crystalline CaO-ZrO2 mesoporous solid solution have been fabricated by a simple one-step procedure with zirconyl chloride octahydrate (ZrOCl2.8H2O) and calcium nitrate tetrahydrate (Ca(NO3)2.4H2O) as metal precursors and triblock co-polymer of Pluronic P-123 as templating agent. Small-angle X-ray diffraction (SXRD) and transmission electron microscopy (TEM) results shows that ordered mesoporous structure and worm-like mesoporous structure were obtained when the molar ratio of Ca/Zr were 0.25 and 0.5. Wide angle X-ray diffraction (WXRD) and Raman spectra indicated that the formation of homogeneous solid solution was responsible for the stable cubic phase. All CaO-ZrO2 solid solutions were endowed with strong basicity (H- = 9.3-12.2). The incorporation of Ca2+ into ZrO2 lattice led to the formation of solid solution structure and which could effectively improve the thermal stability and inhibit basic sites from leaching in the reaction.

  10. 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 alloy s Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 4.465, year: 2014

  11. Study of structure and dielectric properties of Pb(Sn,Zr,Ti)O3 solid solutions

    International Nuclear Information System (INIS)

    Results of investigation of Pb(Sn,Zr,Ti)O3 solid solutions are presented. It is shown that in the above-mentioned solid solutions at room temperature ferroelectric and antiferroelectric phases coexist. In this range dielectric properties have clearly pronounced anomalies. Phase transition from ferroelectric to antiferroelectric state of polarized materials under the effect of hydrostatic pressure occurs spasmodically. The value of ferroelectric-antiferroelectric phase transition depends on titanium concentration

  12. Structural state of irradiated solid solutions on iron-chromium-nickel and iron-chromium bases

    International Nuclear Information System (INIS)

    Base on the analysis of experimental and literature data on structural state of irradiated solid solutions (alloys Fe - 7.5 Cr - 35 Ni, KhN60B, Fe - 45 Ni, Fe - 3.5 Mn and steels Kh18n10t, Kh16n15m3b) a conclusion is made that homogeneous solid solutions under irradiation transform, as a rule, into a heterogeneous state. Several models which explain this radiation-induced transition are under consideration

  13. Superficial composition in binary solid solutions A(B): Drastic effect of pure element surface tensions

    Science.gov (United States)

    Rolland, A.; Aufray, B.

    1985-10-01

    This paper deals with a comparative study of surface segragation of Pb and Ni respectively from Ag(Pb)(111) and Ag(Ni)(111) solid solutions. A high level of segregation of the solute is observed for both systems characterized by very low solute solubility. However, the superficial composition strongly depends on the relative surface tensions of the pure elements: the solute atoms are strictly on superficial sites when γ solute is smaller than γ solvent; in contrast uppermost layer consists purely of solvent when γ solute is greater than γ solvent. Two schematic distributions in close proximity to the surface are proposed in the last case.

  14. Oversolubility in the microvicinity of solid-solution interfaces.

    Science.gov (United States)

    Bergonzi, Isabelle; Mercury, Lionel; Simon, Patrick; Jamme, Frédéric; Shmulovich, Kirill

    2016-06-01

    Water-solid interactions at the macroscopic level (beyond tens of nanometers) are often viewed as the coexistence of two bulk phases with a sharp interface in many areas spanning from biology to (geo)chemistry and various technological fields (membranes, microfluidics, coatings, etc.). Here we present experimental evidence indicating that such a view may be a significant oversimplification. High-resolution infrared and Raman experiments were performed in a 60 × 20 μm(2) quartz cavity, synthetically created and initially filled with demineralized water. The IR mapping (3 × 3 μm(2) beam size) performed using the SOLEIL synchrotron radiation source displays two important features: (i) the presence of a dangling free-OH component, a signature of hydrophobic inner walls; (ii) a shift of the OH-stretching band which essentially makes the 3200 cm(-1) sub-band predominate over the usual main component at around 3400 cm(-1). Raman maps confirmed these signatures (though less marked than IR's) and afforded a refined spatial distribution of this interfacial signal. This spatial resolution, statistically treated, results in a puzzling image of a 1-3 μm thick marked-liquid layer along the entire liquid-solid interface. The common view is then challenged by this strong evidence that a μm-thick layer analogous to an interphase forms at the solid-liquid interface. The thermodynamic counterpart of the vibrational shifts amounts to around +1 kJ mol(-1) at the interface with a rapidly decreasing signature towards the cavity centre, meaning that vicinal water may form a reactive layer, of micrometer thickness, expected to have an elevated melting point, a depressed boiling temperature, and enhanced solvent properties. PMID:27191014

  15. Subdiffusion kinetics of nanoprecipitate growth and destruction in solid solutions

    Science.gov (United States)

    Sibatov, R. T.; Svetukhin, V. V.

    2015-06-01

    Based on fractional differential generalizations of the Ham and Aaron-Kotler precipitation models, we study the kinetics of subdiffusion-limited growth and dissolution of new-phase precipitates. We obtain the time dependence of the number of impurities and dimensions of new-phase precipitates. The solutions agree with the Monte Carlo simulation results.

  16. Control of molecular rotor rotational frequencies in porous coordination polymers using a solid-solution approach.

    Science.gov (United States)

    Inukai, Munehiro; Fukushima, Tomohiro; Hijikata, Yuh; Ogiwara, Naoki; Horike, Satoshi; Kitagawa, Susumu

    2015-09-30

    Rational design to control the dynamics of molecular rotors in crystalline solids is of interest because it offers advanced materials with precisely tuned functionality. Herein, we describe the control of the rotational frequency of rotors in flexible porous coordination polymers (PCPs) using a solid-solution approach. Solid-solutions of the flexible PCPs [{Zn(5-nitroisophthalate)x(5-methoxyisophthalate)1-x(deuterated 4,4'-bipyridyl)}(DMF·MeOH)]n allow continuous modulation of cell volume by changing the solid-solution ratio x. Variation of the isostructures provides continuous changes in the local environment around the molecular rotors (pyridyl rings of the 4,4'-bipyridyl group), leading to the control of the rotational frequency without the need to vary the temperature. PMID:26368067

  17. Effect of current density on distribution coefficient of solute at solid-liquid interface

    Institute of Scientific and Technical Information of China (English)

    常国威; 王自东; 吴春京; 胡汉起

    2003-01-01

    When current passes through the solid-liquid interface, the growth rate of crystal, solid-liquid interfaceenergy and radius of curvature at dendritic tip will change. Based on this fact, the theoretical relation between thedistribution of solute at solid-liquid interface and current density was established, and the effect of current on thedistribution coefficient of solute through effecting the rate of crystal growth, the solid-liquid interface energy and theradius of curvature at the dendritic tip was discussed. The results show that as the current density increases, thedistribution coefficient of solute tends to rise in a whole, and when the former is larger than about 400 A/cm2 , thelatter varies significantly.

  18. Theoretical and Experimental Study of LiBH4-LiCl Solid Solution

    Directory of Open Access Journals (Sweden)

    Torben R. Jensen

    2012-03-01

    Full Text Available Anion substitution is at present one of the pathways to destabilize metal borohydrides for solid state hydrogen storage. In this work, a solid solution of LiBH4 and LiCl is studied by density functional theory (DFT calculations, thermodynamic modeling, X-ray diffraction, and infrared spectroscopy. It is shown that Cl substitution has minor effects on thermodynamic stability of either the orthorhombic or the hexagonal phase of LiBH4. The transformation into the orthorhombic phase in LiBH4 shortly after annealing with LiCl is for the first time followed by infrared measurements. Our findings are in a good agreement with an experimental study of the LiBH4-LiCl solid solution structure and dynamics. This demonstrates the validity of the adopted combined theoretical (DFT calculations and experimental (vibrational spectroscopy approach, to investigate the solid solution formation of complex hydrides.

  19. Reflection of slow ions from solids; exact solution of transport equation

    International Nuclear Information System (INIS)

    Reflection of low energy light ions from solids has been calculated in a multiple collision model. Exact solutions of the Boltzmann transport equation have been found for the reflected energy spectra, particle and energy reflection coefficients, as well as analytical formulas derived from these solutions (author)

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

    International Nuclear Information System (INIS)

    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 La2O3 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. La1-xCex(OH)3 is used to indicate the formation of a mixed oxy-hydroxy participate rather than a definitive assignment of stoichiometry. Similarly, La1-yCeyO2 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 CeO2.

  1. Colloidal quantum dot solids for solution-processed solar cells

    Science.gov (United States)

    Yuan, Mingjian; Liu, Mengxia; Sargent, Edward H.

    2016-03-01

    Solution-processed photovoltaic technologies represent a promising way to reduce the cost and increase the efficiency of solar energy harvesting. Among these, colloidal semiconductor quantum dot photovoltaics have the advantage of a spectrally tuneable infrared bandgap, which enables use in multi-junction cells, as well as the benefit of generating and harvesting multiple charge carrier pairs per absorbed photon. Here we review recent progress in colloidal quantum dot photovoltaics, focusing on three fronts. First, we examine strategies to manage the abundant surfaces of quantum dots, strategies that have led to progress in the removal of electronic trap states. Second, we consider new device architectures that have improved device performance to certified efficiencies of 10.6%. Third, we focus on progress in solution-phase chemical processing, such as spray-coating and centrifugal casting, which has led to the demonstration of manufacturing-ready process technologies.

  2. Preparation, characterization and thermal behavior of K2U4O13-Rb2U4O13 solid solutions

    International Nuclear Information System (INIS)

    The preparation and characterization of (K1-xRbx)2U4O13 solid solutions has been studied for the x values in the range of 0 - 1. The solid solutions were prepared by heating K2U4O13 and Rb2U4O13 in required stoichiometry at about 600-700 C for about 50 h in air atmosphere. The XRD patterns of the products suggest formation of the solid solutions in full composition range of Rb2U4O13 and K2U4O13. The cell volume of the crystal unit cell of solid solutions changes linearly with Rb atom % in (Rb + K) present in the solid solutions and follows Vegard's law. The solid solutions when heated in Ar/He atmospheres at 900 C produce corresponding low valent uranate solid solutions (K1-xRbx)2U4O12 or their mixtures.

  3. Study on solid solution and aging process of AZ91D magnesium alloy with cerium

    Institute of Scientific and Technical Information of China (English)

    GUO

    2010-01-01

    The influence of Ce on solid solution and aging process of AZ91D magnesium alloy was analyzed.The results showed that the decomposition of β-Mg17Al12 phase in AZ91D magnesium alloy at 420 ℃ could be completed within 12 h,while this process in the Ce-containing alloy required more time.In subsequent aging process at 175 ℃,Ce obviously delayed the aging process of AZglD.It was inferred that the influence of Ce on process of solid solution and aging was relative to the Ce that existed in β-Mg17Al12 phase of original structure in the form of solid solution,and the interaction of the Ce and Al was an important factor to get process of solution and aging slowly.

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

    International Nuclear Information System (INIS)

    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

  5. Decay of solutions for a mixture of thermoelastic one dimensional solids

    OpenAIRE

    Muñoz Rivera, Jaime E.; Naso, Maria-Grazia; Quintanilla de Latorre, Ramón

    2013-01-01

    We study a PDE system modeling thermomechanical deformations for a mixture of thermoelastic solids. In particular we investigate the asymptotic behavior of the solutions. First, we identify conditions on the constitutive coefficients to guarantee that the imaginary axis is contained in the resolvent. Subsequently, we find the necessary and sufficient conditions to guarantee the exponential decay of solutions. When the decay is not of exponential type, we prove that the solutions decay polynom...

  6. Crystal-Phase Control by Solution-Solid-Solid Growth of II-VI Quantum Wires.

    Science.gov (United States)

    Wang, Fudong; Buhro, William E

    2016-02-10

    A simple and potentially general means of eliminating the planar defects and phase alternations that typically accompany the growth of semiconductor nanowires by catalyzed methods is reported. Nearly phase-pure, defect-free wurtzite II-VI semiconductor quantum wires are grown from solid rather than liquid catalyst nanoparticles. The solid-catalyst nanoparticles are morphologically stable during growth, which minimizes the spontaneous fluctuations in nucleation barriers between zinc blende and wurtzite phases that are responsible for the defect formation and phase alternations. Growth of single-phase (in our cases the wurtzite phase) nanowires is thus favored. PMID:26731426

  7. Periodic solution for natural gas dehydration using solid desiccants

    Energy Technology Data Exchange (ETDEWEB)

    Benther, J.D.; Sphaier, L.A. [Lab. de Mecanica Teorica e Aplicada. Programa de Pos-Graduacao em Engenharia Mecanica. Universidade Federal Fluminense (UFF), Niteroi, RJ (Brazil)], e-mails: benther@vm.uff.br, lasphaier@mec.uff.br

    2010-07-01

    Dehydration of natural gas is of extreme importance to avoid the formation of hydrates and other associated problems. Different dehydration methods exist; however the solid desiccant approach can dehydrate natural gas to levels of water vapor lower than other methods. This paper presents a simple formulation for simulating the dehydration of a wet methane stream flowing though a porous medium composed of hygroscopic particles. The model assumes small resistance to diffusion within particles and takes heat and mass transfer rates into account by employing constant transfer coefficients. The formulation was developed based in the traditional mass and energy conservation principles, considering a one-dimensional transient scenario. A dimensional analysis is also performed and relevant dimensionless groups are introduced. The set of dimensionless parameters are similar to effectiveness-NTU groupings, widely used in heat exchangers. The proposed formulation, despite its simplicity, represents a new contribution, since a similar analysis is apparently unavailable in the gas dehydration literature. Finally, in order to illustrate the effect of varying the dimensionless groups, the formulation is solved using a combined finite-volumes/method-of-lines approach. The results example how the dimensionless parameters can influence the dehydration process. (author)

  8. 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

  9. Some peculiarities of adsorption and catalytic processes on solid solutions of diamond-like semiconductors

    International Nuclear Information System (INIS)

    The results of adsorption and catalytic process investigations in some systems ZnSe-ZnTe, ZnSe-CdSe; ZnSe-GaAs are analyzed. Identity and specific peculiarities in the behaviour of adsorbent solid solutions and catalysts are marked in comparison with the binary semiconductors. The dependence of adsorption value and catalytic activity on the composition has non-additive character. Some definite private dependences between the changes of adsorption-catalytic and physical parameters and the composition are found. The comparative data are obtained on the adsorption and catalytic activity of solid solutions of different systems. The last ones are explained with an account of nonsimilar defectiveness of the systems and property changes of active centers during formation process of solid solutions. The optimum catalyst is found

  10. Investigations on the properties of solid solutions of pseudo-binary lead chalcogenides

    International Nuclear Information System (INIS)

    Lead chalcogenides and their solid solutions with detecting and lasing capabilities have great technological importance. High quality polycrystalline thin films of solid solutions of pseudo-binary lead chalcogenides have been deposited onto ultra clean glass substrates by vacuum evaporation technique. Optical, electrical and structural properties of the thin films of the solid solutions of pseudo-binary lead chalcogenides have been investigated. Absorption coefficient and band gap of films were determined by absorbance measurements in wavelength range 2500-5000 nm using FTIR spectrophotometer. dc conductivity and activation energy of films were measured in temperature range 300-380 K using two probe I-V characteristics method. Crystal structure and lattice parameters of films were determined from X-ray diffractogram.

  11. Elastic and viscoelastic solutions to rotating functionally graded hollow and solid cylinders

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    Analytical solutions to rotating functionally graded hollow and solid long cylinders are developed. Young's modulus and material density of the cylinder are as* sumed to vary exponentially in the radial direction, and Poisson's ratio is assumed to be constant. A unified governing equation is derived from the equilibrium equations, compat-ibility equation, deformation theory of elasticity and the stress-strain relationship. The governing second-order differential equation is solved in terms of a hypergeometric func-tion for the elastic deformation of rotating functionally graded cylinders. Dependence of stresses in the cylinder on the inhomogeneous parameters, geometry and boundary conditions is examined and discussed. The proposed solution is validated by comparing the results for rotating functionally graded hollow and solid cylinders with the results for rotating homogeneous isotropic cylinders. In addition, a viscoelastic solution to the rotating viscoelastic cylinder is presented, and dependence of stresses in hollow and solid cylinders on the time parameter is examined.

  12. Activities of the components in a spinel solid solution of the Fe-Al-O system

    Science.gov (United States)

    Lykasov, A. A.; Kimyashev, A. A.

    2011-09-01

    The conditions of the equilibrium between the Fe3O4-FeAl2O4 solution and wustite are determined by measuring the EMF of galvanic cells containing a solid electrolyte, and the activities of the components in the Fe3O4-FeAl2O4 solution are calculated by treating the results of the experiment on the equilibrium between the spinel solution and wustite. Their properties are found to be different from those of ideal solutions at temperatures of 1000-1300 K. A significant positive deviation from the Raoult's law is believed to indicate the tendency of the solution to decompose. The experimental data are treated in terms of the theory of regular solutions, assuming the energy of mixing to be a function of temperature only. The critical temperature of decomposition for the Fe3O4-FeAl2O4 solution is found to be 1084 K.

  13. Solid-solution hardening in kbr-kcl alkali halide single crystals

    International Nuclear Information System (INIS)

    Temperature and concentration dependences of the critical resolved shear stress (CRSS) of KBr-KCI solid- solution crystals containing 8 to 41 mol% KCI in the temperature range 77 to 230 K have been analysed within the frame work of the KPN mode of plastic flow in solid- solution crystals. It is found that CRSS tow decreases with the increase in temperature T in accord with the model relation In tow= A -BT, where A and B are positive constants. The CRSS tow at a given temperature depends on solute concentration c as tow alpha c/sup row/, where exponent p has a value between 0.5 and 1 depending on the temperature at which deformation is carried out. The model parameter W/sub o/, i.e. binding energy between the edge-dislocation segment involved in the unit activation process and the solute atoms close to it ( T --+ OK), increases with solute concentration c monotonically upto a critical value Cm = 35 mol% KCI, as predicted by the model. However, W/sub o/ decreases with increase in c beyond cm, which indicates somewhat ordered distribution of solute in the host lattice of concentrated solid-solutions with c > cm. (author)

  14. Solid solutions CuAlxIn1-xSe2

    International Nuclear Information System (INIS)

    Solid CuAlxIn1-xSe2 solutions are synthesized by fusion with vibration. Phase equilibrium state diagram in CuInSe2-CuAlSe2 system is plotted by XRPA and DTA methods and the system thermodynamic analysis is performed. Thermal expansion anisotropy of CuAlSe2, CuInSe2 compounds and solid solutions on their base is studied. It is ascertained that coefficient of expansion along C axis is much lower than the coefficient of expansion along the direction, perpendicular to it; practically linear dependence of both expansion coefficients on the composition is observed at all temperatures. 16 refs.; 5 figs

  15. Thermal conductivity of A1B3C26 ternary compounds and their solid solutions

    International Nuclear Information System (INIS)

    Thermal conductivity of ternary compounds A1B3C26 and solid solutions CuGaxIn1-xS2, CuGaxIn1-xSe2, CuInS2xSe2(1-x), was studied by the absolute and relative methods in the temperature range of 300-550 K. Interrelation between thermal conductivity and tetragonal distortion of the ternary compounds A1B3C26 was established. It is shown that concentrational dependence of thermal conductivity for the solid solutions has the minimum near equimolar compositions

  16. Fluorine ionic conductivity of monocrystals of CdF2 base solid solutions with fluorite structure

    International Nuclear Information System (INIS)

    Investigation into electical properties of concentrated solid solutions Cd1-xRxF2+x(x>0.1) is conducted. It is ascertained that nonstoichiometric Cd1-xRxF2+x phase crystal conductivity temperature dependences comply with Frenkel-Arrenius equation. In Cd0.78R0.22F2.22 solid solution series (R=Nd,Dy, Ho, Tm) conductivity increases from 2.8x10-7 to 1.1x10-5 (Ohmxcm)-1 at 400 K

  17. Preparation and properties of ZnxCd1-xSe solid solutions

    International Nuclear Information System (INIS)

    By means of isothermal diffusion one synthesized substitutional solid solutions within ZnSe-CdSe system. Mixtures of ZnSe+CdSe powders containing 10-90 mol.% CdSe served as basic materials. One studied polycrystalline samples and various dispersion powders made of those polycrystals. No additional lines in diffraction photographies show synthesis completion of solid solutions. Within 100-70 mol.% ZnSe content range of compounds they crystallize in sphalerite cubic structure and at lower ZnSe content - in wurtzite hexagonal structure. Within 30-40 mol.% CdSe range the cubic structure transforms into hexagonal one

  18. Formation of solid solutions in the systems of calcium and lanthanum (samarium, europium) orthovanadates

    International Nuclear Information System (INIS)

    Phase ratios in the systems Ca3(VO4)2-MVO4, where M=La, Sm, Eu, have been studied. Formation of solid solutions Casub(3(1-x))Msub(2x)(VOsub(4))sub(2) at 0 3(VO4)2-LaVO4 in the range 0.27 3=(PO4)2 type is confirmed. It is established, that the formation of solid solutions on the basis of Ca3(VO4)2 structure takes place according to substitution-subtraction mechanism

  19. Researches on the Structure and Properties of Mullite Solid Solution Made from Industrial Waste

    Institute of Scientific and Technical Information of China (English)

    RUAN Yu-Zhong; YU Yan; WU Ren-Ping

    2006-01-01

    The waste slag from aluminum profile factory and silicon fine powder from ferroalloy factory were utilized as the main raw materials to synthesize mullite solid solution Al4+2xSi2-xO10-x/2, whose defect formation mechanism, crystalline phase composition, crystal cell parameters, microstructures and morphologies were characterized in detail by XRD and SEM. The results show that because of the ultrafine particle size of the materials, the content of mullite solid solution synthesized by this method is higher than that by regular method.

  20. On the calculation of crystal lattice periods of multi-component solid solutions

    International Nuclear Information System (INIS)

    The periods of lattice of multi-component solid solutions are calculated using the concept of bonding electron number. The values of atomic volumes are used in the calculation. A good conformity between experimental and calculated values of lattice periods is obtained, the deviation does not exceed 0.1 %

  1. Fourier Transform Infrared Spectroscopic Study of Sodium Phosphate Solids and Solutions

    Institute of Scientific and Technical Information of China (English)

    龚文琪

    2001-01-01

    Solids and solutions of sodium phosphates with various chain lengths have been studied by using the techniques of diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy and attenuated total reflection-Fourier transform infrared (ATR-FTIR) spectroscopy, respectively. A systematic study of the infrared spectra of the solid sodium phosphates has been conducted on the basis of the information available in the literatures to establish the assignments of the infrared vibrations of the different groups in the phosphate molecules. The infrared spectra of the solutions of sodium phosphates have been analyzed according to the infrared study on the relevant solids, in conjunction with the study of the phosphate species distribution in solution on the basis of the acid-base reaction equilibria. The results obtained have revealed the correlations between the infrared absorption spectra and the structure of the different P-O groups in different kinds of phosphates and are useful in the analysis of phosphate solids and solutions widely used in the various operations of mineral processing.

  2. Thermal expansion of CuAlxIn1-xSe2 chaleopyrite solid solutions

    International Nuclear Information System (INIS)

    Parameters of elementary cell and some structure features of CuAlxIn1-xSe2 solid solutions are studied within 80-650 K temperature range. It is shown that for all the specimens the factors of thermal expansion along c tetragonal axis are lower than those along a axis perpendicular to c axis

  3. Structural and vibrational investigations on Ge34Sb66 solid solutions produced by mechanical alloying

    International Nuclear Information System (INIS)

    Highlights: •A Ge34Sb66 solid solution was prepared by mechanical alloying. •X-ray diffraction results indicate complete dissolution of Ge on the Sb matrix. •Raman measurements indicate the presence of nanocrystalline Ge dispersed in the matrix. -- Abstract: A nanostructured solid solution Ge34Sb66 was produced from Ge and Sb by mechanical alloying and its structural and vibrational properties were investigated by X-ray diffraction (XRD) and micro-Raman spectroscopy. The Rietveld refinement of the XRD measurements allowed the investigation of the evolution of the solid solution with the milling time. The Bragg peaks of the Sb solvent phase showed a strongly reflection-indices-dependent line broadening due to the spatial variation of the Sb/Ge ratio. The asymmetric broadening in the deformed peaks was analyzed considering the Stephens model. Volume fractions of crystalline and interfacial components of the milled powder were estimated from the XRD patterns. Although XRD measurements indicated the formation of a solid solution, Raman measurements revealed the presence of nanocrystalline Ge, and its crystallite size was estimated from the Raman analysis

  4. The structural transformation in doped TiNi: dissolution of solid solutions and martensite transformations

    Institute of Scientific and Technical Information of China (English)

    Khundzhua; A.G.; Brovkina; E.A.

    2005-01-01

    The analysis of experiments demonstrates that in TiNi with dope d-transition elements of Ⅴ-Ⅷ subgroups the type of solid solution is determined not by the specific dope element, but by pertaining of the alloy to one of three main sections of state diagram forthe system Ti-Ni-Me.……

  5. The structural transformation in doped TiNi: dissolution of solid solutions and martensite transformations

    Institute of Scientific and Technical Information of China (English)

    2005-01-01

    @@ The analysis of experiments demonstrates that in TiNi with dope d-transition elements of Ⅴ-Ⅷ subgroups the type of solid solution is determined not by the specific dope element, but by pertaining of the alloy to one of three main sections of state diagram forthe system Ti-Ni-Me.

  6. Exact Solution of the Two-Level System and the Einstein Solid in the Microcanonical Formalism

    Science.gov (United States)

    Bertoldi, Dalia S.; Bringa, Eduardo M.; Miranda, E. N.

    2011-01-01

    The two-level system and the Einstein model of a crystalline solid are taught in every course of statistical mechanics and they are solved in the microcanonical formalism because the number of accessible microstates can be easily evaluated. However, their solutions are usually presented using the Stirling approximation to deal with factorials. In…

  7. Cell volumes of LaPO4-CePO4 solid solutions

    International Nuclear Information System (INIS)

    Lattice constants have been determined for solid solutions of the form LaxCe1-xPO4. A plot of the cube root of the unit-cell volume as a function of χ shows that this system follows Vegard's law. (orig.)

  8. Preparation and Analysis of Solid Solutions in the Potassium Perchlorate-Permanganate System.

    Science.gov (United States)

    Johnson, Garrett K.

    1979-01-01

    Describes an experiment, designed for and tested in an advanced inorganic laboratory methods course for college seniors and graduate students, that prepares and analyzes several samples in the nearly ideal potassium perchlorate-permanganate solid solution series. The results are accounted for by a theoretical treatment based upon aqueous…

  9. Thermodynamic functions of solid solutions in U-Ce-O system

    International Nuclear Information System (INIS)

    Cerium, is one of the rare earth fission product produced during irradiation of (U,Pu)O2 fuel. CeO2 readily forms solid solution with UO2 and PuO2, the fuel constituents due to its structural similarity. Hence, thermodynamic properties of the solid solutions of UO2-CeO2 are of interest. Since the ionic radius of cerium and its chemical properties are very close to that of plutonium, cerium is also considered as an analogue for plutonium. There are no experimentally measured values of enthalpy increments of these solid solutions. Hence, enthalpy increment measurements on U1-xCexO2 (x=0.2, 0.4, 0.6 and 0.8) were carried out for the first time by inverse drop calorimetry in the temperature range 533-1739 K and computed the thermodynamic functions. The solid solutions U1-xCexO2 (x=0.2, 0.4, 0.6 and 0.8) were prepared by citrate gel combustion synthesis. UO2 of nuclear grade purity and CeO2 of 99.99% purity, were used for preparing these samples. The formation of single phase U1-xCexO2 was confirmed by XRD. The concentrations of U, Ce and other metallic impurities were determined by using ICPAES, and ICPMS

  10. Formation of non-equilibrium germanium-based solid solutions in al-ge-alloys

    Directory of Open Access Journals (Sweden)

    O.Yu. Bereza

    2012-08-01

    Full Text Available This article is devoted to the investigation of phase composition and microstructure of the higher cooled aluminum-germanium alloys. The formation of non-equilibrium germanium solid solutions is shown. The influence of the rate of cooling and the germanium percentage on the phase composition of alloys is shown.

  11. Preparation, Characterization and Catalytic Performance of Nanometer Ceria-Zirconia Solid Solution

    Institute of Scientific and Technical Information of China (English)

    Hu Yucai; Wang Yinghui; Pan Junyan

    2004-01-01

    Ce0.6Zr0.4O2 solid solution was prepared by co-precipitation technique using hydrazine hydrate as precipitator.Various physico-chemical techniques such as XRD, FT-Raman, SEM, TEM, etc.were used to characterize the resultant powder.Meanwhile, its catalytic activity was evaluated in the synthesis of n-butyl acetate by the reaction of acetic acid and n-butyl alcohol.The results show that ceria-zirconia solid solution forms single cubic structure and its particle diameter is less than 100 nm.As a sort of solid acid, it possesses high catalytic activity and can be easily separated from reaction liquid.After it is used for ten times, its activity basically kees unchanging.

  12. 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)

  13. The solution and solid state stability and excipient compatibility of parthenolide in feverfew

    OpenAIRE

    Jin, Ping; Madieh, Shadi; Augsburger, Larry L.

    2007-01-01

    The objectives of this research were to evaluate the stability of parthenolide in feverfew solution state and powdered feverfew (solid state), and explore the compatibility between commonly used excipients and parthenolide in feverfew. Feverfew extract solution was diluted with different pH buffers to study the solution stability of parthenolide in feverfew. Powdered feverfew extract was stored under 40°C/0%∼75% relative humidities (RH) or 31% RH/5∼50°C to study the influence of temperature a...

  14. 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.

  15. Thermal conductivity of the extruded Bi85Sb15 solid solution samples doped by gadolinium and lead impurities

    International Nuclear Information System (INIS)

    The effect influence of the gadolinium and lead impurities on thermal condctivity of the Bi85Sb15 solid solution has been investigated. It has been shown that doping the solid solution by small amounts of electrical active impurities ona can determine its lattice and electron components of the thermal conductivity

  16. Temperature-composition-order parameter phase diagram for compositionally ordering solid solutions of lead scandium niobate - lead scandium tantalate

    International Nuclear Information System (INIS)

    It is established that the temperature of ferroelectric phase transition in crystals of lead scandium niobate - lead scandium tantalate ordering solid solutions both with low - and high order parameters has a linear dependence on the composition x. On the basis of the data obtained for the first time the phase diagram T-x-S is calculated for these solid solutions

  17. 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.)

  18. Synthesis and properties of solid solutions with perovskite structure in the SrVO3-EuVO3 system

    International Nuclear Information System (INIS)

    Investigation results of solid solutions Srsub(1-x)Eusub(x)VOsub(3) where a noticeable presence of defects in anion sublattice are presented. Solid solutions shown, are obtained by sintering of strontium hypovanadate SrVO3 and europium orthovanadate EuVO3 in vacuum at 1673 K during 36 hours. Existence of Srsub(1-x)Eusub(x)VOsub(3) solid solutions with the perovskite structure of two types: cubic (03-EuVO3 system. It is shown that in Srsub(1-x)Eusub(x)VOsub(3) solid solutions, as well as in EuVO3, three-valent state of Eu is preserved. Transition from the metal conductivity character to the semiconductive one is carrierd out at xsub(k) approximately 0.75. Concentration and temperature dependences of specific electric resistance of solid solutions are presented

  19. AgGaSe2xTe2(1-x) solid solutions

    International Nuclear Information System (INIS)

    Large-block crystals of the ternary compounds AgGaTe2, AgGaSe2 and solid solutions AgGaSe2xTe2(1-x) were grown by the Bridgman method (flat variation). The composition of the prepared crystals was determined by microprobe X-ray spectral analysis, the structure and lattice parameters - by X-ray diffraction. The temperatures of phase transformations were examined by differential thermal analysis, the phase diagram of the AgGaTe2 - AgGaSe2 system was constructed and its thermodynamic analysis was performed. The microhardness (H) of the pointed compounds and solid solutions was measured and its concentration dependence was constructed. It is shown that the curve has maximum

  20. High-temperature decomposition of solid solutions of beta-tantalum with copper in films

    Science.gov (United States)

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

    2014-05-01

    Using high-temperature X-ray diffractometry and electron microprobe analysis decomposition of alloys of beta-tantalum with copper produced by codeposition of sputtered ultradisperse particles of tantalum and copper has been established. At a temperature of 900°C, the precipitation of copper from the solid solution into an individual phase starts, and its diffusion onto the film surface with the formation of globular particles and simultaneous transition of the matrix β-modification into α-tantalum. The suggested mechanism of decomposition of solid solutions includes the following stages: the precipitation of copper into an individual phase, its diffusion onto the surface because of lattice pressure and the concentration gradient inside and outside the tantalum matrix, the coalescence of nanosized formations into drops at the coating surface, and the subsequent evaporation of copper from them in a vacuum.

  1. Tuning of Mn(II)-doped CdS-ZnS solid solutions for broadband emission

    International Nuclear Information System (INIS)

    Single-phase solid solution of CdxZn1-yMnyS offers possibility for tuning full color spectrum. A broad emission with FWHM of ∼155 nm leading to a broadband emission can be harvested in a nominal composition such as Cd0.54Zn0.43Mn0.03S by a compounded effect of CdS, ZnS and ZnS:Mn responsible for blue, green and red emission, respectively. Contribution from (i) quantization of energy levels due to nano-dimension, (ii) emission arising from trap (mid-gap) states and (iii) Mn2+ spin-forbidden 4T1 → 6A1 transition is responsible for the mechanism of PL in these solid solutions

  2. The crystallization of a solid solution in a solvent and the stability of a growth interface

    International Nuclear Information System (INIS)

    The potential uses of germanium-silicon alloys as thermoelectric generators in hitherto unexploited temperature ranges initiated the present study. Many delicate problems are encountered in the classical methods of preparation. An original technique was sought for crystallization in a metallic solvent. The thermodynamic equilibria between the various phases of the ternary System used were studied in order to justify the method used. The conditions (temperature and composition) were determined in which the cooling of a ternary liquid mixture induces the precipitation of a binary solid solution with the desired composition. If large crystals are to be obtained from the solid solution, metallic solvent precipitation must be replaced by a mono-directional solvent crystallization. The combined effect of a certain number of simple physical phenomena on the stability of a crystal liquid interface was studied: the morphological stability of the crystal growth interface is the first step towards obtaining perfect crystals. (author)

  3. Influence of chemical disorder on energy dissipation and defect evolution in concentrated solid solution alloys

    International Nuclear Information System (INIS)

    A long-standing objective in materials research is to understand how energy is dissipated in both the electronic and atomic subsystems in irradiated materials, and how related non-equilibrium processes may affect defect dynamics and microstructure evolution. Here we show that alloy complexity in concentrated solid solution alloys having both an increasing number of principal elements and altered concentrations of specific elements can lead to substantial reduction in the electron mean free path and thermal conductivity, which has a significant impact on energy dissipation and consequentially on defect evolution during ion irradiation. Enhanced radiation resistance with increasing complexity from pure nickel to binary and to more complex quaternary solid solutions is observed under ion irradiation up to an average damage level of 1 displacement per atom. Understanding how materials properties can be tailored by alloy complexity and their influence on defect dynamics may pave the way for new principles for the design of radiation tolerant structural alloys

  4. Regression relations for estimating the mechanical properties of steels subjected to solid-solution hardening

    Science.gov (United States)

    Protopopov, E. A.; Val'ter, A. I.; Protopopov, A. A.; Malenko, P. I.

    2015-07-01

    An approach is proposed to obtain regression relations to estimate the mechanical properties of steels subjected to solid-solution hardening. The applicability of the developed approach is shown for hot-rolled sheet austenitic iron-nickel and nickel alloys after quenching, toughened low-alloy structural steels with a sorbite structure in the case of full hardenabilty, sheet corrosion-resistant ferritic steels after softening heat treatment, and corrosion-resistant austenitic steels after austenitization. The derived regression relations serve as the basis for correcting the chemical composition of a metal melt to ensure the required level of the mechanical properties of ready products by controlling the degree of solid-solution hardening.

  5. Nanometer Stripe Microstructure of Supersaturated Solid Solution in Fe-Cu Alloy

    Institute of Scientific and Technical Information of China (English)

    REN Hui-ping; WANG Hai-yan; LIU Zong-chang; AN Zhi-guo

    2007-01-01

    Strengthening due to precipitation of Cu in the α-Fe matrix is an important phenomenon utilized in the design of HSLA steels. In the present work, the microstructure of supersaturated solid solution in Fe-1.18%Cu binary alloy was investigated by means of high resolution electron microscopy. The results indicated that the solid solution was heterogeneous, there were lots of Cu atom clusters, which consisted of diffractive stripe microstructure similar to twin crystal. Orientation deviation was observed between two (110)α planes in diffractive stripes, which results in light and shade contrast. Furthermore, formation mechanisms of the nanometre stripe microstructure were discussed in terms of the interaction of Cu and Fe atoms in the Fe-Cu binary alloys.

  6. Barium and strontium sulfate solid solution formation in relation to North Sea scaling problems

    International Nuclear Information System (INIS)

    This paper presents the results of laboratory experiments carried out to investigate barium sulphate and strontium sulphate solid solution formation in multi-pressure tapped cores. Two brines, one barium and strontium rich and the other sulphate rich, were mixed in a core plug. Pressure differentials were measured and the changing permeability distribution along the length of the core calculated. The morphology and chemical analysis of scaling crystals are presented based on Scanning electron Microsocpy (SEM) and Energy Dispersive X-ray Analysis (EDAX). The results show the large extent of permeability damage caused by (Ba, SR) SO/sub 4/ solid solution depositing on the rock pore surface. The rock permeability decline and morphology and size of the scaling crystals indicate the influence of the supersaturations of BaSO/sub 4/ and SrSO/sub 4/ as well as the concentration ratio of barium ions to strontium ions

  7. Formation of solid solutions in the systems of calcium and lanthanum (samarium, europium) orthovanadates

    Energy Technology Data Exchange (ETDEWEB)

    Khodos, M.Ya.; Leonidov, I.A.; Fotiev, A.A. (AN SSSR, Sverdlovsk. Inst. Khimii)

    1984-09-01

    Phase ratios in the systems Ca/sub 3/(VO/sub 4/)/sub 2/-MVO/sub 4/, where M=La, Sm, Eu, have been studied. Formation of solid solutions Casub(3(1-x))Msub(2x) (VOsub(4))sub(2) at 0 < x <= 0.12, having the structure of calcium orthovanadate, is shown. In the system Ca/sub 3/(VO/sub 4/)/sub 2/-LaVO/sub 4/ in the range 0.27 <= x <= 0.33 existence of a phase with the structure of Sr/sub 3/=(PO/sub 4/)/sub 2/ type is confirmed. It is established that the formation of solid solutions on the basis of Ca/sub 3/(VO/sub 4/)/sub 2/ structure takes place according to substitution-subtraction mechanism.

  8. Superplastic-like deformation in some solid solution alloys. [FeNiCr; AlMg

    Energy Technology Data Exchange (ETDEWEB)

    Korhonen, M.A.; Wilson, H.; Kuo, R.C.; Li Cheyu (Dept. of Materials Science and Engineering, Cornell Univ., Ithaca, NY (USA))

    1991-05-15

    The stress relaxation and tensile test data of Incoloy 800H and Al-4.6%Mg are described at temperatures where the contribution of grain boundary sliding to flow is significant. It is shown that in the presence of grain boundary sliding the whole range of behavior, from ordinary creep to superplastic-like flow, can be exhibited in the same metals, showing that the strain rate sensitivity increases with decreasing grain size or increasing temperature in the chosen temperature range. The effect of solute hardening on the flow behaviour of solid solution alloys in the presence of grain boundary sliding is also discussed. (orig.).

  9. Solution-Liquid-Solid Synthesis of Hexagonal Nickel Selenide Nanowire Arrays with a Nonmetal Catalyst.

    Science.gov (United States)

    Xu, Kun; Ding, Hui; Jia, Kaicheng; Lu, Xiuli; Chen, Pengzuo; Zhou, Tianpei; Cheng, Han; Liu, Si; Wu, Changzheng; Xie, Yi

    2016-01-26

    Inorganic nanowire arrays hold great promise for next-generation energy storage and conversion devices. Understanding the growth mechanism of nanowire arrays is of considerable interest for expanding the range of applications. Herein, we report the solution-liquid-solid (SLS) synthesis of hexagonal nickel selenide nanowires by using a nonmetal molecular crystal (selenium) as catalyst, which successfully brings SLS into the realm of conventional low-temperature solution synthesis. As a proof-of-concept application, the NiSe nanowire array was used as a catalyst for electrochemical water oxidation. This approach offers a new possibility to design arrays of inorganic nanowires. PMID:26695560

  10. Numerical solution of a coupled pair of elliptic equations from solid state electronics

    Science.gov (United States)

    Phillips, T. N.

    1984-01-01

    Iterative methods are considered for the solution of a coupled pair of second order elliptic partial differential equations which arise in the field of solid state electronics. A finite difference scheme is used which retains the conservative form of the differential equations. Numerical solutions are obtained in two ways, by multigrid and dynamic alternating direction implicit methods. Numerical results are presented which show the multigrid method to be an efficient way of solving this problem. Previously announced in STAR as N83-30109

  11. Solid solution strengthening effect on creep strength of austenitic stainless steel

    OpenAIRE

    Abouzari, Sara

    2012-01-01

    Sanicro 25 is a newly developed austenitic stainless steel, designed for the next generation of Ultrasupercritical coal-fired boilers in electrical power plants. This material is applicable in reheater and superheater tubes, where the material temperature is up to 700 °C. One of the main strengthening mechanisms in high temperature materials is solid solution strengthening. A combination of this mechanism and precipitation hardening, promotes creep strength of heat resistance materials. The a...

  12. Thermal conductivity of Pb1-xMnxTe system solid solutions

    International Nuclear Information System (INIS)

    The results of the investigation of thermal conductivity of Pb1-xMnxTe systems solid solutions over the temperature range 80-300 K presented. It is established, that with increasing Mn content both electron (x0) and lattice (x1) components of thermal conductivity decrease. Thermal annealing of the specimens leads to increasing x0 and x1. Results obtained are interpreted under the assumption of existence structural defects in non-annealed specimens

  13. Properties of solid solutions, doped film, and nanocomposite structures based on zinc oxide

    Science.gov (United States)

    Lashkarev, G. V.; Shtepliuk, I. I.; Ievtushenko, A. I.; Khyzhun, O. Y.; Kartuzov, V. V.; Ovsiannikova, L. I.; Karpyna, V. A.; Myroniuk, D. V.; Khomyak, V. V.; Tkach, V. N.; Timofeeva, I. I.; Popovich, V. I.; Dranchuk, N. V.; Khranovskyy, V. D.; Demydiuk, P. V.

    2015-02-01

    A study of the properties of materials based on the wide bandgap zinc oxide semiconductor, which are promising for application in optoelectronics, photovoltaics and nanoplasmonics. The structural and optical properties of solid solution Zn1-xCdxO films with different cadmium content, are studied. The samples are grown using magnetron sputtering on sapphire backing. Low-temperature photoluminescence spectra revealed emission peaks associated with radiative recombination processes in those areas of the film that have varying amounts of cadmium. X-ray phase analysis showed the presence of a cadmium oxide cubic phase in these films. Theoretical studies of the solid solution thermodynamic properties allowed for a qualitative interpretation of the observed experimental phenomena. It is established that the growth of the homogeneous solid solution film is possible only at high temperatures, whereas regions of inhomogeneous composition can be narrowed through elastic deformation, caused by the mismatch of the film-backing lattice constants. The driving forces of the spinodal decomposition of the Zn1-xCdxO system are identified. Fullerene-like clusters of Znn-xCdxOn are used to calculate the bandgap and the cohesive energy of ZnCdO solid solutions. The properties of transparent conductive ZnO films, doped with Group III donor impurities (Al, Ga, In), are examined. It is shown that oxygen vacancies are responsible for the hole trap centers in the zinc oxide photoconductivity process. We also examine the photoluminescence properties of metal-ZnO nanocomposite structures, caused by surface plasmons.

  14. 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.)

  15. Ab-initio chemical potentials of solid and liquid solutions and the chemistry of the Earth's core

    OpenAIRE

    Alfe, D.; Gillan, M. J.; Price, G. D.

    2001-01-01

    A general set of methods is presented for calculating chemical potentials in solid and liquid mixtures using {\\em ab initio} techniques based on density functional theory (DFT). The methods are designed to give an {\\em ab initio} approach to treating chemical equilibrium between coexisting solid and liquid solutions, and particularly the partitioning ratio of solutes between such solutions. For the liquid phase, the methods are based on the general technique of thermodynamic integration, appl...

  16. Structural study of nanocrystalline solid solution of Cu-Mo obtained by mechanical alloying

    Energy Technology Data Exchange (ETDEWEB)

    Aguilar, C., E-mail: claudio.aguilar@usm.cl [Departamento de Ingenieria Metalurgica y de Materiales, Universidad Tecnica Federico Santa Maria, Avenida Espana 1680, Valparaiso (Chile); Instituto de Materiales y Procesos Termomecanicos, Universidad Austral de Chile, General Lagos 2086, Valdivia (Chile); Castro, F. [Centro de Estudios e Investigaciones Tecnicas de Gipuzkoa, Paseo de Manuel Lardizabal, N Degree-Sign 15 20018, San Sebastian (Spain); Martinez, V. [TEKMETALL, Metallurgical Solutions S.L., Paseo neinor, Iribar Kalea 5, F1. B. de Igara 20018, San Sebastian (Spain); Guzman, D. [Departamento de Ingenieria en Metalurgia, Facultad de Ingenieria, Universidad de Atacama y Centro Regional de Investigacion y Desarrollo Sustentable de Atacama (CRIDESAT), Av. Copayapu 485, Copiapo (Chile); Cuevas, F. de las; Lozada, L.; Vielma, N. [Centro de Estudios e Investigaciones Tecnicas de Gipuzkoa, Paseo de Manuel Lardizabal, N Degree-Sign 15 20018, San Sebastian (Spain)

    2012-06-30

    Highlights: Black-Right-Pointing-Pointer Extension of solid solution in Cu-Mo system achieved by mechanical alloying. Black-Right-Pointing-Pointer X-ray characterization of Cu-Mo system processed by mechanical alloying. Black-Right-Pointing-Pointer Structural study of nanocrystalline solid solution of Cu-Mo obtained by mechanical alloying. - Abstract: This work studied the structural evolution of Cu-xMo (x = 5 and 8 wt.%) alloys processed by mechanical alloying using x-ray diffraction profiles, scanning electron microscopy, differential scanning calorimetric and microhardness. X-ray diffraction analysis was done using the modified Williamson-Hall and Warren-Averbach methods. These were used to determine structural properties, such as crystallite size, stacking fault probability and energy, dislocation density of metallic powder as a function of the amount of Mo and milling time. The main results obtained for both alloys were higher dislocation density and Vickers microhardness values were measured and crystallites sizes of around 10 nm were measured for both systems at 50 h of milling. Lattice defects increase the free energy and the free energy curves shift upwards, therefore the solubility limits change and Cu-Mo solid solution is formed.

  17. Structural study of nanocrystalline solid solution of Cu–Mo obtained by mechanical alloying

    International Nuclear Information System (INIS)

    Highlights: ► Extension of solid solution in Cu–Mo system achieved by mechanical alloying. ► X-ray characterization of Cu–Mo system processed by mechanical alloying. ► Structural study of nanocrystalline solid solution of Cu–Mo obtained by mechanical alloying. - Abstract: This work studied the structural evolution of Cu–xMo (x = 5 and 8 wt.%) alloys processed by mechanical alloying using x-ray diffraction profiles, scanning electron microscopy, differential scanning calorimetric and microhardness. X-ray diffraction analysis was done using the modified Williamson–Hall and Warren–Averbach methods. These were used to determine structural properties, such as crystallite size, stacking fault probability and energy, dislocation density of metallic powder as a function of the amount of Mo and milling time. The main results obtained for both alloys were higher dislocation density and Vickers microhardness values were measured and crystallites sizes of around 10 nm were measured for both systems at 50 h of milling. Lattice defects increase the free energy and the free energy curves shift upwards, therefore the solubility limits change and Cu–Mo solid solution is formed.

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

    International Nuclear Information System (INIS)

    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 TiCr1.2(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 TiCr1.2(FeV)0.4 alloy, which achieved 2.79 mass% of hydrogen storage capacity and 1.36 mass% of reversible hydrogen storage capacity

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

    International Nuclear Information System (INIS)

    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 Mg1−xCox(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.

  20. 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.

  1. Thermodynamic modelling of miscibility in (InAs) x (GaAs)1-x solid solutions

    Science.gov (United States)

    Adhikari, Jhumpa

    2013-05-01

    Current methods used to model the solution thermodynamics of III-V compound semiconductors involve the use of the valence force field as the molecular model and the regular solution model (with the temperature independent interaction parameter and underlying assumption of random mixing) as the engineering model. In this study, excess free energy models (with three or less adjustable parameters) are investigated to predict the solid-solid miscibility of (InAs) x (GaAs)1- x . The models investigated include the Porter/one-constant Margules (OCM) model, the two-constant Margules (TCM) model and the non-random two liquid (NRTL) model. These models are fit to excess free energy values derived from free energy change of mixing (variation with composition) data available from molecular simulations at different temperatures. The parameters in all the models have been found to be temperature dependent. The coexistence compositions are best predicted by the NRTL model, indicating the need to consider non-random mixing effects present in these solid solutions. The TCM model predicts better equilibrium composition data as compared to the OCM model.

  2. Solid solutions of hydrogen uranyl phosphate and hydrogen uranyl arsenate. A family of luminescent, lamellar hosts

    International Nuclear Information System (INIS)

    Hydrogen uranyl phosphate, HUO2PO4 x 4H2O (HUP), and hydrogen uranyl arsenate, HUO2AsO4 x 4H2O (HUAs), form solid solutions of composition HUO2(PO4)1-x(AsO4)x (HUPAs), representing a family of lamellar, luminescent solids that can serve as hosts for intercalation chemistry. The solids are prepared by aqueous precipitation reactions from uranyl nitrate and mixtures of phosphoric and arsenic acids; thermogravimetric analysis indicates that the phases are tetrahydrates, like HUP and HUAs. Powder x-ray diffraction data reveal the HUPAs solids to be single phases whose lattice constants increase with X, in rough accord with Vegard's law Spectral shifts observed for the HUPAs samples. Emission from the solids is efficient (quantum yields of ∼ 0.2) and long-lived (lifetimes of ∼ 150 μs), although the measured values are uniformly smaller than those of HUP and HUAs; unimolecular radiative and nonradiative rate constants for excited-state decay of ∼ 1500 and 5000 s-1, respectively, have been calculated for the compounds. 18 refs., 5 figs., 2 tabs

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

    International Nuclear Information System (INIS)

    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 GreenTM, 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 (MoO4-2) 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 (t1/2 ≤ 4 min), 1:10 for HD (t1/2 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

  4. Study of the sintering process and the formation of a (Th, U) O2 solid solution

    International Nuclear Information System (INIS)

    The effect of some variables in the (Th, U) O2 sintering process and solid solution formation was studied. ThO2, U3O8 and UO2 powder were prepared. The ThO2 powders were obtained by calcination of thorium at 500 and 750 deg C; the U3O8 powders were derived from the calcination of ADU at 660 and 750 deg C; the UO2 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 UO2. 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 ThO2 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 U3O3, this oxide is reduced to UO2 and it is possible to obtain pellets with density and microstructures similar to those produced from mixtures containing UO2. 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 characteristics, its value

  5. Composition and solution properties of fluorinated block copolymers and their surface structures in the solid state

    Institute of Scientific and Technical Information of China (English)

    NI HuaGang; XUE DongWu; WANG XiaoFang; ZHANG Wei; WANG XinPing; SHEN ZhiQuan

    2009-01-01

    A series of diblock copolymers composed of methyl methacrylate and 2-perfluorooctylethyl methacry-late (PMMA144-b-PFMAn) with various PFMA block lengths were prepared by atom transfer radical po-lymerization (ATRP). The surface structures and properties of these polymers in the solid state and in solution were investigated using contact angle measurement, X-ray photoelectron spectroscopy (XPS), sum frequency generation (SFG) vibrational spectroscopy, surface tension and dynamic laser light scattering (DLS). It was found that with increasing PFMA block length, water and oil repellency de-creased, the ratio of F/C increased with increasing film depth, and the degree of ordered packing of the perfluoroalkyl side chains at the surface decreased. When the number of PFMA block units reached 10, PMMA segments were detected at the copolymer surface, which was attributed to the PFMA block length affecting molecular aggregation structure of the copolymer in the solution and the interfacial structure at the air/liquid interface, which in turn affects surface structure formation during solution solidification. The results suggest that copolymer solution properties play an important role in struc-ture formation on the solid surface.

  6. 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.

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

    International Nuclear Information System (INIS)

    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−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

  8. Large-scale fluctuations in the diffusive decomposition of solid solutions

    International Nuclear Information System (INIS)

    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

  9. Grain-boundary migration in nonstoichiometric solid solutions of magnesium aluminate spinel 2

    International Nuclear Information System (INIS)

    The grain-boundary chemistry of magnesium aluminate spinel solid solutions MgO · nAl2O3 has been investigated in order to understand the mechanism of grain-boundary migration. It is found that although segregation of impurity Ca and Si is common, much larger deviations in grain-boundary stoichiometry are present. There is an excess of Al and O relative to Mg at grain boundaries in all compositions. Grain-boundary migration appears to be rate-limited by solute drag from intrinsic defects accommodating lattice nonstoichiometry, rather than by extrinsic solutes, consistent with the observed impurity tolerance of grain-boundary mobility. Different rate-limiting defects are proposed for magnesia-rich and alumina-rich spinels

  10. Solid solution hardening of IVa metals by oxygen and nitrogen interstitials

    International Nuclear Information System (INIS)

    A survey is given of the dependence of the yield stress of titanium, zirconium, and hafnium wires with bamboo structure on the oxygen or nitrogen content up to 1.2 at.% in solid solution and on the temperature of deformation ranging from 77 to 500 K. The hardening by nitrogen is considerably more pronounced than by oxygen. For oxygen containing IVa metals the graphs yield stress vs. temperature show a discontinuity between 250 and 350 K. The results suggest that the yield stress of IVa metals containing interstitial impurities is determined by an interaction between dislocations and a spectrum of obstacles. In this process single solute atoms as well as clusters of solute atoms observed by transmission electron microscopy play an important role. (orig.)

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

    KAUST Repository

    Djouamai, Leila

    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.

  12. Synthesis and thermophysical properties of solid solutions CuInSe2xTe2(1-x)

    International Nuclear Information System (INIS)

    Large-block crystals of CuInSe2, CuInTe2 ternary compounds and CuInSe2xTe2(1-x) solid solutions were prepared by two-temperature method. It is determined that dependence between thermal expansion coefficient and composition of solid solution is linear and dependence of thermal conductivity has minimum. It is demonstrated that Debye temperature decreases while root-mean-square dynamic displacements of atoms increase in crystal lattice with increasing content of tellurium atoms in solid solutions

  13. Crystallographic and optical characteristics of thin films of Cu2ZnSn(Sx Se1-x )4 solid solutions

    International Nuclear Information System (INIS)

    Results of x-ray diffraction and optical studies of thin films of Cu2ZnSn(SxSe1-x)4 solid solutions were presented. Unit-cell constants a and c of Cu2ZnSn(SxSe1-x)4 were determined as functions of composition. It was shown that a and c decreased linearly with increasing S concentration. Optical transmission and photoluminescence spectra of thin films of Cu2ZnSn(SxSe1-x) solid solutions were measured. Absorption coefficients and band-gap energies were determined as functions of the solid-solution composition. (authors)

  14. Exploring hardness enhancement in superhard tungsten tetraboride-based solid solutions using radial X-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Xie, Miao; Turner, Christopher L. [Department of Chemistry and Biochemistry, UCLA, Los Angeles, California 90095 (United States); Mohammadi, Reza [Department of Chemistry and Biochemistry, UCLA, Los Angeles, California 90095 (United States); Department of Materials Science and Engineering, UCLA, Los Angeles, California 90095 (United States); Kaner, Richard B., E-mail: kaner@chem.ucla.edu, E-mail: akavner@ucla.edu, E-mail: tolbert@chem.ucla.edu; Tolbert, Sarah H., E-mail: kaner@chem.ucla.edu, E-mail: akavner@ucla.edu, E-mail: tolbert@chem.ucla.edu [Department of Chemistry and Biochemistry, UCLA, Los Angeles, California 90095 (United States); Department of Materials Science and Engineering, UCLA, Los Angeles, California 90095 (United States); The California NanoSystems Institute (CNSI), UCLA, Los Angeles, California 90095 (United States); Kavner, Abby, E-mail: kaner@chem.ucla.edu, E-mail: akavner@ucla.edu, E-mail: tolbert@chem.ucla.edu [Department of Earth, Planetary, and Space Sciences, UCLA, Los Angeles, California 90095 (United States)

    2015-07-27

    In this work, we explore the hardening mechanisms in WB{sub 4}-based solid solutions upon addition of Ta, Mn, and Cr using in situ radial X-ray diffraction techniques under non-hydrostatic pressure. By examining the lattice-supported differential strain, we provide insights into the mechanism for hardness increase in binary solid solutions at low dopant concentrations. Speculations on the combined effects of electronic structure and atomic size in ternary WB{sub 4} solid solutions containing Ta with Mn or Cr are also included to understand the extremely high hardness of these materials.

  15. Exploring hardness enhancement in superhard tungsten tetraboride-based solid solutions using radial X-ray diffraction

    International Nuclear Information System (INIS)

    In this work, we explore the hardening mechanisms in WB4-based solid solutions upon addition of Ta, Mn, and Cr using in situ radial X-ray diffraction techniques under non-hydrostatic pressure. By examining the lattice-supported differential strain, we provide insights into the mechanism for hardness increase in binary solid solutions at low dopant concentrations. Speculations on the combined effects of electronic structure and atomic size in ternary WB4 solid solutions containing Ta with Mn or Cr are also included to understand the extremely high hardness of these materials

  16. The solution and solid state stability and excipient compatibility of parthenolide in feverfew.

    Science.gov (United States)

    Jin, Ping; Madieh, Shadi; Augsburger, Larry L

    2007-01-01

    The objectives of this research were to evaluate the stability of parthenolide in feverfew solution state and powdered feverfew (solid state), and explore the compatibility between commonly used excipients and parthenolide in feverfew. Feverfew extract solution was diluted with different pH buffers to study the solution stability of parthenolide in feverfew. Powdered feverfew extract was stored under 40 degrees C/0% approximately 75% relative humidities (RH) or 31% RH/5~50 degrees C to study the influence of temperature and relative humidity on the stability of parthenolide in feverfew solid state. Binary mixtures of feverfew powered extract and different excipients were stored at 50 degrees C/ 75% RH for excipient compatibility evaluation. The degradation of parthenolide in feverfew solution appears to fit a typical first-order reaction. Parthenolide is comparatively stable when the environmental pH is in the range of 5 to 7, becoming unstable when pH is less than 3 or more than 7. Parthenolide degradation in feverfew in the solid state does not fit any obvious reaction model. Moisture content and temperature both play important roles affecting the degradation rate. After 6 months of storage, parthenolide in feverfew remains constant at 5 degrees C/31% RH. However, approximately 40% parthenolide in feverfew can be degraded if stored at 50 degrees C/31% RH. When the moisture changed from 0% to 75% RH, the degradation of parthenolide in feverfew increased from 18% to 32% after 6-month storage under 40 degrees C. Parthenolide in feverfew exhibits good compatibility with commonly used excipients under stressed conditions in a 3-week screening study. PMID:18181526

  17. Effects of minor Si on microstructures and room temperature fracture toughness of niobium solid solution alloys

    International Nuclear Information System (INIS)

    Controlling the elements content in the niobium solid solution (NbSS) is significant for the better comprehensive performance of Nb-silicide-based alloys. In this paper, the effects of minor Si on the microstructures and room temperature fracture toughness of Nb–(0/0.5/1/2)Si–27.63Ti–12.92Cr–2.07Al–1.12Hf (at%, unless stated otherwise) solid solution alloys were investigated. The alloys were processed by vacuum arc-casting (AC), and then heat treated (HT) at 1425 °C for 10 h. In HT alloys, NbSS grains are refined gradually with the increase of Si content. Meanwhile, the volume fraction of Cr2Nb and silicides phases precipitates increases. The fracture toughness of HT alloys decreases at first but then increases in the range of 0 to 2% Si, because it is a combinatorial process of positive and negative effects caused by the addition of Si. The refinement of NbSS grains displays positive effect on fracture toughness, while the increase of solid solubility of Si in NbSS and brittle Cr2Nb and Nb-silicides precipitate phases display negative effect

  18. Dissolution of britholites and monazite / brabantite solid solutions doped with actinides; Etude de la dissolution de britholites et de solutions solides monazite / brabantite dopees avec des actinides

    Energy Technology Data Exchange (ETDEWEB)

    Du Fou De Kerdaniel, E

    2007-12-15

    In the field of the radwaste storage in underground repository, several matrices were considered as promising ceramics for the specific immobilization of actinides. Two of them, britholites and monazite/ brabantite solid solution, have been considered during this work. In order to examine the dissolution mechanisms occurring at the solid liquid interface, several leaching experiments have been conducted on (Ln{sup III}PO{sub 4} ), brabantite (Ca{sup II}An{sup IV}(PO{sub 4}){sub 2}: An = Th, U) and britholites (Ca{sub 9}Nd{sub 0.5}An{sub 0.5}{sup IV} (PO{sub 4}){sub 4.5}(SiO{sub 4}){sub 1.5}F{sub 2}: An = Th, U). Some steady experiments, performed in under saturation conditions for various pH and temperature conditions allowed to evaluate the long term behaviour of such matrices through their chemical durability. On the contrary, the thermodynamic equilibria were examined through the leaching experiments performed near the saturation conditions. By the way, various secondary phases, precipitated onto the surface of altered samples have been identified and characterized. Among them, the (Nd, Ca, Th) - rhabdophane, novelly prepared in over- saturation experiments for a thorium weight loading lower than 11 % appeared to be metastable. Indeed, it turns into TPHPH (Th{sub 2}(PO{sub 4}){sub 2}HPO{sub 4}.H{sub 2}O) and Nd - rhabdophane (NdPO{sub 4}.1/2H{sub 2}O) when increasing leaching time. (author)

  19. Thermodynamic study of thermal decomposition process for lead ruthenite based solid solutions

    International Nuclear Information System (INIS)

    It is ascertained that under solid-phase synthesis (1120 K) lead ruthenite is characterized by composition, close to Pb2Ru2O6.18 formula. Lead ruthenite thermal decomposition process under evaporation from an effusion cell using a spectrometer occurs in two stages: congruent decomposition (≤ 1000 K) where ruthenite transfers into a more stable phase of limiting solid solution with O2 and PbOg isolation, which subsequently (at > 1000 K) is decomposed into Ru, PbOg and O2 phases. Formation enthalpy is determined ΔfH0 (Pb2Ru2O6.18, 298 K) = -(1020.2 ± 10) kJ/mol

  20. Formation of fine solid particles from aqueous solutions of sodium chloropalladate by gamma-ray irradiation

    International Nuclear Information System (INIS)

    Studies have been carried out on the radiation chemical formation of palladium fine particles in argon saturated aqueous solutions of sodium chloropalladate without organic stabilizer. The solutions were irradiated with gamma-rays from a cobalt gamma-ray source and the irradiated solutions were subjected to the dynamic light scattering analysis for the particle diameter measurements, and to the UV-visible optical absorption spectroscopy for the measurements of turbidity (absorption at 700 nm) and remaining chloropalladate ion concentrations in the solution. In the solution of pH = 1.95 by HCl, the turbidity increased after the irradiation and then decreased with time. The concentration of remaining palladate ion in the solution decreased by the irradiation, but it gradually increased with time after the irradiation. These phenomena were qualitatively explained by the reaction scheme in that a precursor to the solid particles still exists in the solution after the irradiation was terminated, and that intermediates including the precursor reacted with chloride ion to re-form chloropalladate ions. The average diameter of the particles after the irradiation was ca. 20 nm and it increased with time to 40 nm at 2.75 kGy, and to 80 nm at 8.25 kGy absorption of radiation. The solution of pH = 0.65 by HCl was found to give lower yields of particles than those observed for the solution of pH = 1.95, and to give the particles of diameters about 150-200 nm. In the solution containing HClO4 instead of HCl, palladium particles were also formed by the irradiation, whereas no backward reaction after the irradiation was observed due to the low concentration of chloride ion in the solution. The average diameter of the particles after the irradiation was about 300 nm and increased with time after the irradiation to a final values which was found to depend on pH of the solution and dose. (author)

  1. Leaching heavy metals in municipal solid waste incinerator fly ash with chelator/biosurfactant mixed solution.

    Science.gov (United States)

    Xu, Ying; Chen, Yu

    2015-07-01

    The chelator [S,S]-ethylene diamine disuccinic acid, citric acid, and biosurfactant saponin are selected as leaching agents. In this study, the leaching effect of saponin mixed with either ethylene diamine disuccinic acid or citric acid on the levels of copper, zinc, lead, and cadmium in municipal solid waste incinerator fly ash is investigated. Results indicate that saponin separately mixed with ethylene diamine disuccinic acid and citric acid exhibits a synergistic solubilisation effect on copper, zinc, lead, and cadmium leaching from fly ash. However, saponin and ethylene diamine disuccinic acid mixed solution exhibits a synergistic solubilisation effect that is superior to that of a saponin and citric acid mixed solution. The extraction rate of heavy metal in fly ash leached with a saponin and chelator mixed solution is related to the pH of the leaching solution, and the optimal range of the pH is suggested to be approximately neutral. After leaching with a saponin and chelator mixed solution, copper, zinc, lead, and cadmium contents significantly decreased (p leaching concentrations of copper, zinc, lead, and cadmium in treated fly ash are in accordance with Standard for Pollution Control on the Security Landfill Site for Hazardous Wastes GB18598-2001. PMID:26185165

  2. FLUID-SOLID COUPLING MATHEMATICAL MODEL OF CONTAMINANT TRANSPORT IN UNSATURATED ZONE AND ITS ASYMPTOTICAL SOLUTION

    Institute of Scientific and Technical Information of China (English)

    薛强; 梁冰; 刘晓丽; 李宏艳

    2003-01-01

    The process of contaminant transport is a problem of multicomponent and multiphase flow in unsaturated zone. Under the presupposition that gas existence affects water transport , a coupled mathematical model of contaminant transport in unsaturated zone has been established based on fluid-solid interaction mechanics theory. The asymptotical solutions to the nonlinear coupling mathematical model were accomplished by the perturbation and integral transformation method. The distribution law of pore pressure,pore water velocity and contaminant concentration in unsaturated zone has been presented under the conditions of with coupling and without coupling gas phase. An example problem was used to provide a quantitative verification and validation of the model. The asymptotical solution was compared with Faust model solution. The comparison results show reasonable agreement between asymptotical solution and Faust solution, and the gas effect and media deformation has a large impact on the contaminant transport. The theoretical basis is provided for forecasting contaminant transport and the determination of the relationship among pressure-saturation-permeability in laboratory.

  3. SOLID SOLUTION CARBIDES ARE THE KEY FUELS FOR FUTURE NUCLEAR THERMAL PROPULSION

    Science.gov (United States)

    Panda, Binayak; Hickman, Robert R.; Shah, Sandeep

    2005-01-01

    Nuclear thermal propulsion uses nuclear energy to directly heat a propellant (such as liquid hydrogen) to generate thrust for space transportation. In the 1960 s, the early Rover/Nuclear Engine for Rocket Propulsion Application (NERVA) program showed very encouraging test results for space nuclear propulsion but, in recent years, fuel research has been dismal. With NASA s renewed interest in long-term space exploration, fuel researchers are now revisiting the RoverMERVA findings, which indicated several problems with such fuels (such as erosion, chemical reaction of the fuel with propellant, fuel cracking, and cladding issues) that must be addressed. It is also well known that the higher the temperature reached by a propellant, the larger the thrust generated from the same weight of propellant. Better use of fuel and propellant requires development of fuels capable of reaching very high temperatures. Carbides have the highest melting points of any known material. Efforts are underway to develop carbide mixtures and solid solutions that contain uranium carbide, in order to achieve very high fuel temperatures. Binary solid solution carbides (U, Zr)C have proven to be very effective in this regard. Ternary carbides such as (U, Zr, X) carbides (where X represents Nb, Ta, W, and Hf) also hold great promise as fuel material, since the carbide mixtures in solid solution generate a very hard and tough compact material. This paper highlights past experience with early fuel materials and bi-carbides, technical problems associated with consolidation of the ingredients, and current techniques being developed to consolidate ternary carbides as fuel materials.

  4. The influence of precipitation temperature on the properties of ceria–zirconia solid solution composites

    Energy Technology Data Exchange (ETDEWEB)

    Cui, Yajuan [College of Architecture and Environment, Sichuan University, Chengdu 610065, Sichuan (China); Fang, Ruimei; Shang, Hongyan [College of Chemical Engineering, Sichuan University, Chengdu 610064, Sichuan (China); Shi, Zhonghua; Gong, Maochu [Key Laboratory of Green Chemistry & Technology, Ministry of Education, College of Chemistry, Sichuan University, Chengdu 610064, Sichuan (China); Center of Engineering of Vehicular Exhaust Gases Abatement, Chengdu 610064, Sichuan (China); Center of Engineering of Environmental Catalytic Material, Chengdu 610064, Sichuan (China); Chen, Yaoqiang, E-mail: nic7501@scu.edu.cn [College of Architecture and Environment, Sichuan University, Chengdu 610065, Sichuan (China); College of Chemical Engineering, Sichuan University, Chengdu 610064, Sichuan (China); Key Laboratory of Green Chemistry & Technology, Ministry of Education, College of Chemistry, Sichuan University, Chengdu 610064, Sichuan (China); Center of Engineering of Vehicular Exhaust Gases Abatement, Chengdu 610064, Sichuan (China); Center of Engineering of Environmental Catalytic Material, Chengdu 610064, Sichuan (China)

    2015-04-15

    Highlights: • The crystallite size of precipitate increases as the precipitation temperature rises. • The stack of large crystallite can form nanoparticles with big pore size. • Big pore sizes are advantageous to improve the thermal stability. • Phase segregation is restricted in CZ solid solution precipitated at 70 °C. • The reducibility and OSC of the solid solution precipitated at 70 °C are improved. - Abstract: The ceria–zirconia composites (CZ) with a Ce/Zr mass ratio of 1/1 were synthesized by a back-titration method, in which the influence of precipitation temperature on the properties of ceria–zirconia precipitates was investigated. The resulting precipitation and mixed oxides at different precipitation temperatures were then characterized by a range of techniques, including textural properties, X-ray diffraction (XRD), Raman spectroscopy, scanning electron microscope (SEM), X-ray photoelectron spectroscopy (XPS), H{sub 2}-temperature programmed reduction (H{sub 2}-TPR) as well as oxygen storage capacity (OSC) measurement. The results revealed that ceria–zirconia composites were formed as solid solution and such structure is favored of thermostability and texture properties. In particular, the composite CZ-70 synthesized at 70 °C exhibited prominent thermostability with a surface area of 32 m{sup 2}/g as well as a pore volume of 0.15 cc/g after aging treatment at 1000 °C for 5 h. And this was found to be associated with the wider pore size distribution which maybe owed to the formation of large crystal at the primary stage of precipitation. Additionally, the composite CZ-70 showed excellent reduction property and OSC benefiting from stable texture and structure.

  5. The influence of precipitation temperature on the properties of ceria–zirconia solid solution composites

    International Nuclear Information System (INIS)

    Highlights: • The crystallite size of precipitate increases as the precipitation temperature rises. • The stack of large crystallite can form nanoparticles with big pore size. • Big pore sizes are advantageous to improve the thermal stability. • Phase segregation is restricted in CZ solid solution precipitated at 70 °C. • The reducibility and OSC of the solid solution precipitated at 70 °C are improved. - Abstract: The ceria–zirconia composites (CZ) with a Ce/Zr mass ratio of 1/1 were synthesized by a back-titration method, in which the influence of precipitation temperature on the properties of ceria–zirconia precipitates was investigated. The resulting precipitation and mixed oxides at different precipitation temperatures were then characterized by a range of techniques, including textural properties, X-ray diffraction (XRD), Raman spectroscopy, scanning electron microscope (SEM), X-ray photoelectron spectroscopy (XPS), H2-temperature programmed reduction (H2-TPR) as well as oxygen storage capacity (OSC) measurement. The results revealed that ceria–zirconia composites were formed as solid solution and such structure is favored of thermostability and texture properties. In particular, the composite CZ-70 synthesized at 70 °C exhibited prominent thermostability with a surface area of 32 m2/g as well as a pore volume of 0.15 cc/g after aging treatment at 1000 °C for 5 h. And this was found to be associated with the wider pore size distribution which maybe owed to the formation of large crystal at the primary stage of precipitation. Additionally, the composite CZ-70 showed excellent reduction property and OSC benefiting from stable texture and structure

  6. Structural and electronic properties of zinc blend GaAs1-xBix solid solutions

    International Nuclear Information System (INIS)

    First principles total energy calculations were carried out to investigate structural and electronic properties of zinc-blend (ZB) GaAs, GaBi and GaAs1-xBix solid solutions. We have calculated lattice parameters, bulk modulus, pressure derivative and GaAs1-xBix band-gap energy for zinc blend-type crystals of the compositions x=0, 0.25, 0.5, 0.75, 1. Discussions will be given in comparison with results obtained with other available theoretical and experimental results.

  7. About calculation of crystal lattice parameters of iron base solid solutions

    International Nuclear Information System (INIS)

    Lattice parameters of iron base solid solutions (Fe-Be, Fe-Cr, Fe-Co, Fe-Mo, Fe-Nb, Fe-Ni, Fe-Ru, Fe-Ti, Fe-V) are calculated on the basis of previously proposed model with the use of the correction taking into account the chemical interaction between element atoms. calculation results allow the conclusion that the sue of the correction reduced the discrepancy between experimental and calculated data on lattice parameters down tp values comparable with an error of the experiment

  8. Hydration and proton transport in solid solutions based on Ba2CaWO6

    International Nuclear Information System (INIS)

    Hydrated alkaline earth metal tungstates Ba4Ca2+xW2-xO12-2x with perovskite like structure have been investigated by methods of thermal gravimetric analysis, NMR H1, IR spectroscopy and Raman scattering; measurements of electric conductivity and transfer numbers have been conducted with variations of T, pO2, pH2O. Solid solutions are capable reversibly intercalated water and show high temperature neutron transport. Proton localization at oxygen leads to the appearance of energetically nonequivalent OH-groups, small part of protons are present in the forms H2O and H3O+

  9. Formation of 3He droplets in dilute 3He-4He solid solutions

    Science.gov (United States)

    Huan, Chao; Candela, Don; Kim, Sung; Yin, Liang; Xia, Jiang-Sheng; Sullivan, Neil

    2015-03-01

    We review the different stages of the formation of 3He droplets in dilute solid 3He-4He solutions. The studies are interesting because the phase separation in isotopic helium mixtures is a first-order transition with a conserved order parameter. The rate of growth of the droplets as observed in NMR studies is compared with the rates expected for homogeneous nucleation followed by a period of coarsening known as Ostwald ripening. Work suported by the National Science Foundation - DMR-1303599 and DMR- 1157490 (National High Magnetic Field Laboratory).

  10. Structural and thermal properties of Cu1-xAgxInS2 chalcopyrite solid solutions

    International Nuclear Information System (INIS)

    The roentgenographic study on the concentration, and temperature dependences of the elementary cell parameters a and c and the thermal expansion coefficients along various directions in the CuInS2-AgInS2 system crystals with the chalcopyrite structure is carried out within the temperature range of 80-650 K. It is shown, that by replacement of copper ions by silver both parameters of the elementary cell a and c, its volume, bond length monotonously increase at all temperatures. It is established, that thermal expansion in the solid solutions under study is anisotropic one

  11. Infrared reflectivity spectra of CuGasub(x)Insub(1-x)S2 solid solutions

    International Nuclear Information System (INIS)

    The lattice reflectivity spectra of CuGaS2, CuInS2, and CuGasub(x)Insub(1-x)S2 (x = 0.30, 0.50, 0.80) were analyzed by the Kramers-Kronig method. Phonon frequencies were determined by the energy position of extrema in the spectral dependence of the modulus of the dielectric function. A composition dependence was found of infrared active phonon frequencies of the CuGasub(x)Insub(1-x)S2 solid solutions

  12. Neutron diffraction studies on Ca1-BaZr4P6O24 solid solutions

    Indian Academy of Sciences (India)

    S N Achary; O D Jayakumar; S J Patwe; A B Shinde; P S R Krishna; S K Kulshreshtha; A K Tyagi

    2008-11-01

    Herein we report the results of detailed crystallographic studies of Ca1-BaZr4P6O24 compositions from combined Rietveld refinements of powder X-ray and neutron diffraction data. All the studied compositions crystallize in rhombohedral lattice (space group R-3 No. 148). A continuous solid solution is concluded from the systematic variation of unit cell parameters. The variation of unit cell parameters with the composition indicates decreasing trend in parameter with increasing Ba2+ concentration contrast to an increasing trend in parameter.

  13. Fabrication and Performance of All-Solid-State Chloride Sensors in Synthetic Concrete Pore Solutions

    OpenAIRE

    Gao, Xiaojian; Zhang, Jian; Yang, Yingzi; Deng, Hongwei

    2010-01-01

    One type of all-solid-state chloride sensor was fabricated using a MnO2 electrode and a Ag/AgCl electrode. The potentiometric response of the sensor to chloride in synthetic concrete pore solutions was systematically studied, and the polarization performance was also evaluated. The results show a good linear relationship between the potential reading of the sensor and the logarithm of chloride activity (concentration ranges from 0.05 to 5.0 M), and the potential value remains stable with incr...

  14. Study of Microwave Absorbing Performances of Nanometer Fe-Al Solid solution

    Institute of Scientific and Technical Information of China (English)

    Xiaohui Wang; Xiaoping Liang; Shaobo Xin

    2006-01-01

    In this paper, Fe-Al solid solution was prepared by mechanical alloying technology, and Fe-Al powder was dispersed into unsaturated polyester (UP) with different contents as absorber to form mixture Fe-Al-UP. The results indicate that the alloying process is almost accomplished and most of the particles are nanometer. Meanwhile, the microwave absorbability of Fe-Al-UP samples in frequency from 0.3 MHz to 1.5 GHz was studied. The results indicate that the more the absorber, the better the absorbing property. The absorbing property of Fe-50Al-UP was slightly higher than Fe-28Al-UP.

  15. Acid-base properties of the surface of InSb-CdTe solid solutions

    International Nuclear Information System (INIS)

    Acid-base properties of the surface of solid solutions and binary components of the InSb-CdTe system are studied using IR spectroscopy, conductometric titration, and measuring the pH-isoelectric state upon treating the test samples by evacuation under atmospheric conditions, exposure to gases (NO2, NH3) and γ radiation. The nature, strength, and concentration of acid centers are determined. Variation in the concentration of acid centers is evaluated as a function of the above factors and changes in the composition of the system

  16. Vibrational spectra of [XeF5]+-cation in solids and in anhydrous hydrogen fluoride solution

    International Nuclear Information System (INIS)

    The vibrational spectra of [XeF5]+ cation in solid state and in nonaqueous HF solutions have been studied. The assignment of the observable vibrational bands and the estimations of force constants have been fulfiled. The existence of a number of solvates formed as a results of the donor-acceptor interaction of Lewis base and Lewis acid, aide by with ionized monomeric and polymeric modification of xenon hexafluoride such as ([XeF5]+F-)n (n = 1, 2, 4) have been ahowed. 67 refs.; 2 figs. 4 tabs

  17. A rapid solution-phase screening technique for hybridoma culture supernatants using radiolabeled antigen and a solid-phase immunoadsorbent

    International Nuclear Information System (INIS)

    The solid-phase immunoassay commonly used to screen hybridoma supernatants at times gave falsely positive results. A solution-phase screening technique, which uses radiolabeled antigen and a solid-phase immunoadsorbent, is described. This technique overcomes the problem of false positives and can be easily adopted for other soluble antigens. (Auth.)

  18. PZT-like structural phase transitions in the BiFeO3-KNbO3 solid solution.

    Science.gov (United States)

    Lennox, Robert C; Taylor, Daniel D; Vera Stimpson, Laura J; Stenning, Gavin B G; Jura, Marek; Price, Mark C; Rodriguez, Efrain E; Arnold, Donna C

    2015-06-21

    Despite the high prominence of the perovskites BiFeO(3) and KNbO(3) the solid solution between the two has received little attention. We report a detailed neutron and synchrotron X-ray powder diffraction, and Raman spectroscopy study which demonstrates an R3c→P4mm→Amm2 series of structural phase transitions similar to that exhibited by the PbZrO(3)-PbTiO(3) solid solution. PMID:25859922

  19. Single crystal growth and properties of CuxAg1-xIn5S8 solid solutions

    International Nuclear Information System (INIS)

    The results of studies on physicochemical properties of the CuxAg1-xIn5S8 solid solution monocrystals grown by the melt directed crystallization and Bridgman-Stockbarger methods are presented. It is established that the solid solutions monocrystals as well as source compounds are crystallized in the spinel structure. The elementary cell parameter and density change linearly and the microhardness has the maximum at x = 0.60

  20. Thermal conductivity of solid solutions of VN-(MnN) and CrN-(MnN) systems

    International Nuclear Information System (INIS)

    Heat conductivity coefficient of solid solutions of VN-[MnN] and CrN-[MnN] systems is measured in the temperature range of 100-1000 K. Lorentz number is calculated for VN-[MnN] solid solutions. Phonon and electron heat conductivity constituents are singled out for all compositions. Their dependence on the composition is considered. Heat conductivity of the lattice is shown to be mainly determined by the nature of the chemical bond

  1. Synthesis and optical absorption of solid solutions between InSb and A2B6 compounds

    International Nuclear Information System (INIS)

    The InSb-ZnSe, InSb-CdSe, InSb-ZnTe solid replacements solutions are synthesized and identified. Samples in form of films are obtained by the method of vacuum thermal spray coating according to the developed methodology. The character of the forbidden zone width dependence, found by the edge of the semiconductor proper absorption, on the composition denotes the solid replacement solutions formations. This is proved also by the results of the X-diffraction analysis

  2. De-SO sub x catalyst; An XRD study of magnesium aluminate spinel and its solid solutions

    Energy Technology Data Exchange (ETDEWEB)

    Yoo, J.S.; Bhattacharyya, A.A.; Radlowski, C.A. (Amoco Chemical Co., Naperville, IL (United States). Research and Development Dept.)

    1991-07-01

    This paper reports on a systematic X-ray diffraction study that was undertaken to characterize the stoichiometric spinel (MgAl{sub 2}O{sub 4}), alumina excess spinel (MgAl{sub 2}O{sub 4} {center dot} xAl{sub 2}O{sub 3}) and magnesia excess spinel (MgAl{sub 2}O{sub 4} {center dot} MgO). A Vegard's plot, lattice parameter vs the composition of these solid solutions, reveals that, in alumina excess spinel, a continuous solid solution (x = 0 {minus} {infinity}) exists, while, in magnesia excess material, the solid solution is limited to y = 0-1. When y = 1, a solid solution assumes the composition of MgAl{sub 2}O{sub 4} {center dot} MgO. If y {gt} 1, both periclase and stoichiometric spinel (MgAl{sub 2}O{sub 4}) phases coexist. The SO{sub x} removal activity of various hydrothermally stable cerium oxide containing solid solution spinels was evaluated. In the magnesia excess solid solutions, SO{sub x} removal activity increased as MgO increased and reached maximum at y = 1, which is the CeO{sub 2}/MgAl{sub 2}O{sub 4} {center dot} MgO system. This catalyst is the most widely used SO{sub x} reduction catalyst today.

  3. Mechanisms of reduced solute diffusivity at nanoconfined solid-liquid interface

    Science.gov (United States)

    Mahadevan, T.; Kojic, M.; Ferrari, M.; Ziemys, A.

    2013-06-01

    We report results from molecular simulations that reveal the causes of reduced diffusivity at solid-liquid interfaces in the presence of nanoscale confinement. The diffusion of a 2 M glucose solution was simulated inside a 10 nm silica channel together with the calculated thermodynamic properties of diffusion. A strong energy-entropy compensation mechanism was found at the interface with a free energy minimum of -0.6 kcal/mol. Using the Eyring equation the average jump length was reduced by 15% at interface. The complete loss of solute diffusivity at silica surface was explained by the substantial loss of the probability of productive displacements. The results suggested that glucose molecule diffusivity close to the surface might be related to a stiffer cage of the hydration shell, which affects the probability of cage breaking. These results help in understanding of diffusion mechanisms at interface and predicting mass transport in nanoconfinement for engineering and biomedical applications.

  4. Continuous supercritical synthesis and dielectric behaviour of the whole BST solid solution

    International Nuclear Information System (INIS)

    In this study we show that pure and well crystallized nanoparticles of BaxSr1-xTiO3 (BST) can be synthesized over the entire range of composition through the hydrolysis and further crystallization of alkoxide precursors under supercritical conditions. To our knowledge, this is the first time that the whole ferroelectric solid solution has been produced in a continuous way, using the same experimental conditions. The composition of the powder can be easily controlled by adjusting the feed solution composition. The powders consist of soft-aggregated monocrystalline nanoparticles with an average particle size ranging from ∼20 to 40 nm. Ferroelectric ceramics with accurately adjustable Curie temperature (100-390 K) can thus be obtained by sintering

  5. NEXAFS Chemical State and Bond Lengths of p-Aminobenzoic Acid in Solution and Solid State

    Science.gov (United States)

    Stevens, J. S.; Gainar, A.; Suljoti, E.; Xiao, J.; Golnak, R.; Aziz, E. F.; Schroeder, S. L. M.

    2016-05-01

    Solid-state and solution pH-dependent NEXAFS studies allow direct observation of the electronic state of para-aminobenzoic acid (PABA) as a function of its chemical environment, revealing the chemical state and bonding of the chemical species. Variations in the ionization potential (IP) and 1s→π* resonances unequivocally identify the chemical species (neutral, cationic, or anionic) present and the varying local environment. Shifts in σ* shape resonances relative to the IP in the NEXAFS spectra vary with C-N bond length, and the important effect of minor alterations in bond length is confirmed with nitrogen FEFF calculations, leading to the possibility of bond length determination in solution.

  6. In situ study of the solid-state formation of U1-xAmxO2±δ solid solution

    International Nuclear Information System (INIS)

    In order to reduce the nuclear waste inventory and radiotoxicity, U1-xAmxO2±δ materials are promising fuels for heterogeneous transmutation. In this context, they are generally fabricated from UO2+δ and AmO2-δ dioxide powders. In the subsequent solid solution, americium is assumed to be trivalent whereas uranium exhibits a mixed-valence (+IV/+V) state. However, no formation mechanisms were ever evidenced and, more particularly, it was not possible to know whether the reduction of Am(IV) to Am(III) occurs before the solid-solution formation, or only once it is established. In this study, we used high-temperature X-ray diffraction on a UO2±δ/AmO2-δ (15 mol %) mixture to observe in situ the formation of the U1-xAmxO2±δ solid solution. We show that UO2+δ is, at relatively low temperature (≤700 K), oxidized to U4O9-δ, which is likely to be caused by oxygen release from the simultaneous AmO2-δ reduction to cubic Am2O3±δ. Cubic Am2O3+δ then transforms to hexagonal Am2O3 at 1300 K Thus, the initial Am(IV) is fully reduced to Am(III) before the solid solution starts forming at 1740 K The UO2 fluorite phase vanishes after 4 h at 1970 K, indicating that the formation of the solid solution is completed, which proves that this solid solution is formed after the complete reduction of Am(IV) to Am(III). (authors)

  7. Complexon Solutions in Freon for Decontamination of Solids and SNF Treatment

    International Nuclear Information System (INIS)

    Full text of publication follows: The possibility of using complexon solutions in supercritical and compressed carbon dioxide for decontamination of solid surfaces and for spent nuclear fuel (SNF) treatment was demonstrated in the works of Japanese, Russian and American researchers. The obtained data showed that the use of complexon solutions in carbon dioxide sharply decreases the volume of secondary radioactive wastes because it can be easily evaporated, purified and recycled. Moreover, high penetrability of carbon dioxide allows decontamination of surfaces with complex shape. However, one of the disadvantages of carbon dioxide is its high working pressure (10-20 MPa for supercritical CO2 and 7 MPa for compressed CO2). Moreover, in case of SNF treatment, carbon dioxide solvent will be contaminated with 14C, which in the course of SNF dissolution in CO2 containing TBP*HNO3 adduct stage will be oxidized into CO2. These main disadvantages can be eliminated by using complexon solutions in ozone-friendly Freon HFC-134a for decontamination and SNF treatment. Our experimental data for real contaminated materials showed that the decontamination factor for complexon solutions in liquid Freon HFC-134a at 1,2 MPa and 25 deg. C is close to that attained in carbon dioxide. Moreover, the possibility of SNF treatment in Freon HFC-134a was demonstrated in trials using real SNF and its imitators. (authors)

  8. Effect of Atomic Size and Valence Electron Concentration on the Formation of fcc or bcc Solid Solid Solutions in High Entropy Alloys

    OpenAIRE

    Coreño-Alonso, O.; Coreño-Alonso, J.

    2015-01-01

    The possibility of solid solution formation in high entropy alloys (HEAs) has been calculated for alloys with four to seven elements, using a rule previously reported. Thirty elements were included: transition elements of the fourth, fifth and sixth periods of the periodic table, and aluminum. A total of 2,799,486 systems were analyzed. The percentage of solid solutions that would be formed in HEAs decreases from 35.9% to 26.4%, as the number of elements increases from four to seven. The stru...

  9. Thermal expansion and thermal conductivity of CuGa1-xInxTe2 solid solutions

    International Nuclear Information System (INIS)

    The thermal expansion and thermal conductivity of the CuGa1-xInxTe2 solid solutions are studied on the crystals of the solid, obtained through the Bridgman method. It is established that the thermal expansion coefficient with the x-composition changes linearly and the thermal conductivity - with the minimum for the equimolar composition. The Debye temperatures and the root-mean-square dynamic shifts are calculated by the coefficient experimental data. It is shown that with increase of the indium atoms content in the solid solutions the Debye temperature decreases and the atoms root-mean-square dynamic shifts in the crystalline lattice increase

  10. Influence of doping and solid solution formation on the thermoelectric properties of chalcopyrite semiconductors

    International Nuclear Information System (INIS)

    Highlights: • Zinc substituting on the cation site in CuInTe2 and CuGaTe2 is a p-type dopant. • Thermoelectric power factor optimized by 1% zinc doping. • CuInTe2–CuGaTe2 solid solution formation reduces the lattice thermal conductivity. • Optimized samples have dimensionless thermoelectric figure of merit in excess of unity over a wide temperature range. - Abstract: We have investigated the influence of zinc doping on the thermoelectric properties of CuInTe2–CuGaTe2 solid solution alloys. Undoped end-member compounds display typical p-type semiconducting behavior, with a negative temperature coefficient of resistivity and large Seebeck coefficient. With zinc substituting for indium or gallium, the hole concentration is increased and the electrical transport behavior evolves into that of a degenerate semiconductor, with both electrical resistivity and Seebeck coefficient increasing with temperature up to the highest temperature measured. For undoped samples the thermoelectric power factor is maximized close to 750 K, while in doped specimens the maximum occurs at much lower temperature. Substitution of gallium for indium induces significant phonon scattering and thermal conductivity reduction below 500 K. The dimensionless figure of merit rises to above unity over a range of compositions in these chalcopyrite compounds, with optimized samples reaching a figure of merit of 1.3

  11. Influence of doping and solid solution formation on the thermoelectric properties of chalcopyrite semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Carr, Winston D. [Department of Physics & Astronomy, Michigan State University, East Lansing, MI 48824 (United States); Morelli, Donald T. [Department of Physics & Astronomy, Michigan State University, East Lansing, MI 48824 (United States); Department of Chemical Engineering & Materials Science, Michigan State University, East Lansing, MI 48824 (United States)

    2015-05-05

    Highlights: • Zinc substituting on the cation site in CuInTe{sub 2} and CuGaTe{sub 2} is a p-type dopant. • Thermoelectric power factor optimized by 1% zinc doping. • CuInTe{sub 2}–CuGaTe{sub 2} solid solution formation reduces the lattice thermal conductivity. • Optimized samples have dimensionless thermoelectric figure of merit in excess of unity over a wide temperature range. - Abstract: We have investigated the influence of zinc doping on the thermoelectric properties of CuInTe{sub 2}–CuGaTe{sub 2} solid solution alloys. Undoped end-member compounds display typical p-type semiconducting behavior, with a negative temperature coefficient of resistivity and large Seebeck coefficient. With zinc substituting for indium or gallium, the hole concentration is increased and the electrical transport behavior evolves into that of a degenerate semiconductor, with both electrical resistivity and Seebeck coefficient increasing with temperature up to the highest temperature measured. For undoped samples the thermoelectric power factor is maximized close to 750 K, while in doped specimens the maximum occurs at much lower temperature. Substitution of gallium for indium induces significant phonon scattering and thermal conductivity reduction below 500 K. The dimensionless figure of merit rises to above unity over a range of compositions in these chalcopyrite compounds, with optimized samples reaching a figure of merit of 1.3.

  12. Magneto-optical spectroscopic studies of solid and solution-phase tetra-phenyl porphyrin

    Science.gov (United States)

    Wahlen-Strothman, Jacob; Pan, Zhen Wen; Lamarche, Cody; Manning, Lane; Rawat, Naveen; Tokumoto, Takahisa; McGill, Stephen; Furis, Madalina; Chu, Kelvin

    2012-02-01

    Tetraphenylporphyrin (TPP) is a heterocyclic model system for porphyrins found in heme proteins, cytochromes and photosynthetic cofactors. TPP can accommodate a metal ion in the center; D-shell ion porphyrin complexes with a crystalline solid phase are of interest for magnetic studies because of the possibility of macroscopic long-range magnetic order of the ion spins. We have investigated the 5K magnetic properties of poly-crystalline thin films of TPP complexed with Zn, Mn and Cu and deposited through a room temperature capillary pen technique that produces grain size in the 100 micron to 1mm range. Our novel setup measures the UV/VIS, linear dichroism and MCD simultaneously and incorporates a photoelastic modulator and a microscopy superconducting magnet for high-field (5T) measurements. In addition, we present 25T data on samples from the new split magnet at NHMFL. We present solution and crystalline data on metal-complexed TPP; data are analyzed in terms of A and B-type MCD using a perimeter model. We find good agreement with previous solution data, and novel crystalline phase spectra that are correlated to the long range ordering of the solid state.

  13. Lattice parameters and electrical resistivity of Ceria-Yttria solid solutions

    International Nuclear Information System (INIS)

    Ce02:u mol% Y2O3 (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)

  14. Chromate and selenate hydrocalumite solid solutions and their applications in waste treatment

    Institute of Scientific and Technical Information of China (English)

    ZHANG; Min; Eric; J.; Reardon

    2005-01-01

    Hydrocalumite, a calcium aluminate hydrate phase, consists of positively-charged structure units, and is therefore an ideal candidate for accommodating anionic contaminants. In this study, a series of batch experiments was carried out to examine the uptake of chromate and selenate by hydrocalumite. To determine the uptake capacity and long-term stability, hydrocalumite solid solutions between chromate/selenate and hydroxyl were synthesized over a reaction time of more than one year. At a ratio of water to initial solids added (CaAl2O4+CaO) of 75: 1, the maximum uptake capacities were over 77 and 114 g/kg for Cr and Se, respectively.These values are very close to the theoretical uptake capacities of chromate and selenate hydrocalumite end-members (81 and 118 g/kg, respectively). The oxyanion removal efficiency from solution was above 95%. Due to the high uptake capacity and anion removal efficiency of hydrocalumites, their application in wastewater treatment is promising. Hydrocalumites are also important hydration products of cementitious materials and the long-term stability of these phases is of significance for application in solidification/stabilization technology.

  15. Structure and Transport Properties of the BiCuSeO-BiCuSO Solid Solution

    Directory of Open Access Journals (Sweden)

    David Berardan

    2015-03-01

    Full Text Available In this paper, we report on the crystal structure and the electrical and thermal transport properties of the BiCuSe1−xSxO series. From the evolution of the structural parameters with the substitution rate, we can confidently conclude that a complete solid solution exists between the BiCuSeO and BiCuSO end members, without any miscibility gap. However, the decrease of the stability of the materials when increasing the sulfur fraction, with a simultaneous volatilization, makes it difficult to obtain S-rich samples in a single phase. The band gap of the materials linearly increases between 0.8 eV for BiCuSeO and 1.1 eV in BiCuSO, and the covalent character of the Cu-Ch (Ch = chalcogen element, namely S or Se here bond slightly decreases when increasing the sulfur fraction. The thermal conductivity of the end members is nearly the same, but a significant decrease is observed for the samples belonging to the solid solution, which can be explained by point defect scattering due to atomic mass and radii fluctuations between Se and S. When increasing the sulfur fraction, the electrical resistivity of the samples strongly increases, which could be linked to an evolution of the energy of formation of copper vacancies, which act as acceptor dopants in these materials.

  16. Stability of phases in (Ba, Gd)MnO3 solid solution system

    Institute of Scientific and Technical Information of China (English)

    Migaku Kobayashi; Hidenori Tamura; Hiromi Nakano; Hirohisa Satoh; Naoki Kamegashira

    2008-01-01

    The existing phases in BaxGd1-xMnO3 solid solution system (0≦x≦1) were studied by analyzing the detailed crystal structure of each composition from the results of the Rietveld method using powder X-ray diffraction data. For a small substitution of Ba for Gd (0≦x<0.1), the orthorhombic phase with a perovskite type structure (Pnma space group) was stably formed and this fact was supported by the electron diffraction data. There existed an intermediate phase of Ba0.33Gd0.67MnO3, which was characterized as the tetragonal phase with perovskite structure. The composition range of this phase was narrow and almost line compound. Between the regions of these phases, there existed two-phase region. There was also a two-phase region between the intermediate tetragonal phase and BaMnO3. Measurement of electrical conductivities of these orthorhombic solid solutions and tetragonal phases showed semiconducting behaviors for both phases and the existence of the phase transition at high temperature for the orthorhombic phase. The transition temperature decreased as the Ba content increased.

  17. 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.

  18. Investigating conceptual models for physical property couplings in solid solution models of cement

    Energy Technology Data Exchange (ETDEWEB)

    Benbow, Steven; Watson, Claire; Savage, David [Quintesssa Ltd., Henley-on-Thames (United Kingdom)

    2005-11-15

    The long-term behaviour of cementitious engineered barriers is an important process to consider when modelling the migration of radionuclides from a geological repository for nuclear waste. The modelling of cement is complicated by the fact that the cement is dominated by the behaviour of calcium silicate hydrate (CSH) gel which is a complex solid exhibiting incongruent dissolution behaviour. In this report, we have demonstrated the implementation of a solid-solution CSH gel model within a geochemical transport modelling framework using the Raiden computer code to investigate cement/concrete-groundwater interactions. The modelling conducted here shows that it is possible to couple various conceptual models for the evolution of physical properties of concrete with a solid solution model for cement degradation in a fully coupled geochemical transport model to describe the interaction of cement/concrete engineered barriers with groundwater. The results show that changes to the conceptual models and flow rates can give rise to very different evolutions. Most simulations were carried out at a reduced 'experimental' scale rather than full repository scale. The work has shown the possibility to investigate also the changing physical properties of degrading cement. To further develop the model more emphasis is needed on kinetics and the detailed development of a nearly clogged pore space. Modelling of the full repository scale could be another way forward to understand the behaviour of degrading concrete. A general conclusion is that the combined effects of chemical evolution and physical degradation should be analysed in performance assessments of cementitious repositories. Moreover, the project results will be used as one basis in coming reviews of SKB's safety assessments of repositories for spent fuel and low-and intermediate level waste.

  19. Investigating conceptual models for physical property couplings in solid solution models of cement

    International Nuclear Information System (INIS)

    The long-term behaviour of cementitious engineered barriers is an important process to consider when modelling the migration of radionuclides from a geological repository for nuclear waste. The modelling of cement is complicated by the fact that the cement is dominated by the behaviour of calcium silicate hydrate (CSH) gel which is a complex solid exhibiting incongruent dissolution behaviour. In this report, we have demonstrated the implementation of a solid-solution CSH gel model within a geochemical transport modelling framework using the Raiden computer code to investigate cement/concrete-groundwater interactions. The modelling conducted here shows that it is possible to couple various conceptual models for the evolution of physical properties of concrete with a solid solution model for cement degradation in a fully coupled geochemical transport model to describe the interaction of cement/concrete engineered barriers with groundwater. The results show that changes to the conceptual models and flow rates can give rise to very different evolutions. Most simulations were carried out at a reduced 'experimental' scale rather than full repository scale. The work has shown the possibility to investigate also the changing physical properties of degrading cement. To further develop the model more emphasis is needed on kinetics and the detailed development of a nearly clogged pore space. Modelling of the full repository scale could be another way forward to understand the behaviour of degrading concrete. A general conclusion is that the combined effects of chemical evolution and physical degradation should be analysed in performance assessments of cementitious repositories. Moreover, the project results will be used as one basis in coming reviews of SKB's safety assessments of repositories for spent fuel and low-and intermediate level waste

  20. From aqueous solution to solid solutions: A process oriented review of the work performed within the FUNMIG project

    International Nuclear Information System (INIS)

    The Fundamentals of Radionuclide Migration (FUNMIG) project was organised in some Research and Technological Development Components (RTDCs) integrated by a number of Work Packages (WP’s) attempting to cover the key migration processes at different scales (laboratory to repository) and in different geological media, mainly clay and granite, but also some salt rock related work was performed. The main RTDCs of interest for this review paper are numbers 1 and 2, which concerned laboratory studies of well-established and less-established migration processes. Some additional interesting outcomes arise also from RTDCs 3, 4 and 5 devoted to the upscaling and applicability of migration processes to clay, granite and salt rock environments, respectively. This review discusses the contribution of the various parts of the FUNMIG project in the process oriented context of understanding the mechanistic approximation to what can be seen as the final and thermodynamically stable stage of the long chain of processes which are covered under the general term of sorption and that culminate in the formation of solid solutions.

  1. Uptake of oxo-anions by cements through solid-solution formation: experimental evidence and modelling

    International Nuclear Information System (INIS)

    Uptake experiments were carried out with selenate and chromate on fresh and leached Portland and high-alumina cements; and in addition with selenate and selenite on synthetic ettringite. In all experiments with cements, exceptionally high uptake could be observed under conditions where significant amounts of secondary ettringite were formed. Experimental data obtained for pure ettringite corroborated the important role of this mineral phase. However, uptake kinetics show opposite trends in these two systems, which can be viewed as end-members of the same process: Where a fast precipitation of secondary ettringite occurred, initial uptake was high, with Kd values in the range of ∼ 1-5 m3/kg for Se(VI), but decreased with time. Uptake by pre-formed (primary) ettringite initially gave lower Kd values (∼ 0.1 m3/kg), which increased with time. After prolonged equilibration times, the two systems started to approach each other. Concurrent measurements of sulphate concentrations allowed to extract a mean partition coefficient for the solid-solution formation of selenite and selenate with ettringite. Based on this simple solid-solution model, a pragmatic quantitative relation was developed that permits to estimate Kd for Se(VI) on whole cement as a function of the concentrations of sulphate in the cement and in the solution. A test against experimental data shows reasonably good agreement between measurements and calculations. This relation can also be directly applied to estimate Kd values of chromate (and perrhenate) by different cements, indicating the same uptake mechanism. The approach may be less well suited for Se(IV), whose uptake on cement appears to be related mainly to minerals other than ettringite. (orig.)

  2. Reactions of the primary products following isomeric transition in solid K2TcF6 and its solutions

    International Nuclear Information System (INIS)

    The products found upon solution following isomeric transition in solid K2sup(95m/99)TcF6 and for isomeric transition in aqueous solutions of the hexafluorotechnetate(IV) have been found to be qualitatively the same. They correspond to the products expected from the reaction of TcF5-, TcF4 etc. with water. In the solid these fragments are thermalized before reaction with water; in solution they may react while kinetically excited. It has been shown that after isomeric transition in solid K2TcF6 the product distribution is independent of the temperature at which the solid is dissolved for analysis (over span of 300). Nor is the distribution sensitive to the composition of the solution, in which the solid is dissolved. For isomeric transition in solution the results are quite different. The sup(95g)Tc distribution is now temperature dependent. In addition the distribution changes considerably with the composition of the solution. (Auth.)

  3. Iron site occupancies in magnetite-ulvospinel solid solution: A new approach using XMCD

    Energy Technology Data Exchange (ETDEWEB)

    Pearce, C. I.; Henderson, C. M. B.; Telling, N. D.; Pattrick, R. A.D.; Vaughan, D. J.; Charnock, J. M.; Arenholz, E.; Tuna, F.; Coker, V.S.; Laan, G. van der

    2009-06-22

    Ordering of Fe{sup 3+} and Fe{sup 2+} between octahedral (Oh) and tetrahedral (Td) sites in synthetic members of the magnetite (Fe{sub 3}O{sub 4}) - ulvoespinel (Fe{sub 2}TiO{sub 4}) solid-solution series was determined using Fe L{sub 2,3}-edge X-ray magnetic circular dichroism (XMCD) coupled with electron microprobe and chemical analysis, Ti L-edge spectroscopy, Fe K-edge EXAFS and XANES, Fe{sub 57} Moessbauer spectroscopy, and unit cell parameters. Microprobe analysis, cell edges and chemical FeO determinations showed that the bulk compositions of the samples were stoichiometric magnetite-ulvoespinel solid-solutions. Surface sensitive XMCD showed that the surfaces of these oxide minerals were more sensitive to redox conditions and some samples required re-equilibration with suitable solid-solid buffers. Detailed site-occupancy analysis of these samples gave XMCD-Fe{sup 2+}/Fe{sup 3+} ratios very close to stoichiometric values. L{sub 2,3}-edge spectroscopy showed that Ti{sup 4+} was restricted to Oh sites. XMCD results showed that significant Fe{sup 2+} only entered Td when the Ti content was > 0.40 apfu while Fe{sup 2+} in Oh increased from 1 a.p.f.u in magnetite to a maximum of {approx}1.4 apfu in USP45. As the Ti content increased from this point, the steady increase in Fe{sup 2+} in Td sites was clearly observable in the XMCD spectra, concurrent with a slow decrease in Fe{sup 2+} in Oh sites. Calculated magnetic moments showed a steady decrease from magnetite (4.06 {mu}{sub B}) to USP45 (1.5 {mu}{sub B}) and then a slower decrease towards the value for ulvoespinel (0 {mu}{sub B}). Two of the synthesized samples were also partially maghemitized by re-equilibrating with an oxidizing Ni-NiO buffer and XMCD showed that Fe{sup 2+} oxidation only occurred at Oh sites, with concomitant vacancy formation restricted to this site. This study shows the advantage of using XMCD as a direct measurement of Fe oxidation state in these complex magnetic spinels. These results

  4. Zirconium complexes with lactic acid in the solution and solid states

    Science.gov (United States)

    Demkowicz, Paul Andrew

    Lactic acid complexes of zirconium are used in a great number of industrial applications. Among these is their use as crosslinking agents for hydraulic fracturing fluids used in secondary oil recovery operations. Because of a poor understanding of zirconium lactate complex chemistry and crosslinking reactions, however, the design of superior fluid systems is often not guided by sound chemical principles and leads to empirical guesswork. Zirconium lactate solutions were characterized using Fourier transform infrared (FT-IR) spectroscopy, 1H, 13C, and 17O nuclear magnetic resonance (NMR) spectroscopy, and potentiometry. The results indicate that lactic acid is coordinated bidentate to zirconium via the alcohol and carboxylate groups. The average number of lactate ligands per zirconium ion is approximately 2 and is demonstrated to be relatively constant from pH 4--9. The lability of the lactate complexes increases as the pH is decreased. The NMR data reveal that there are both large and small complex molecules present in solution, with the size of the complex depending on the extent of zirconium hydrolysis. Large complexes consist of lactic acid coordinated to polynuclear zirconium hydroxy ions. The molecular size of these complexes is sufficient to hinder their tumbling in solution and cause broadening of the measured NMR signals. Small complexes involve lactic acid coordinated to hydroxylated species containing fewer zirconium ions, such that the rotational motion in solution is sufficiently rapid to result in narrow NMR signals. Zirconium lactate complexes were precipitated from solution and analyzed in the solid state using FT-IR spectroscopy, 13C magic angle spinning (MAS) NMR spectroscopy, elemental analysis, thermal gravitational analysis, and x-ray diffraction. Two distinct types of crystalline compounds were synthesized with four lactate ligands per zirconium ion. The coordination of lactic acid to zirconium is different in the two compounds, with one showing

  5. Tuning of Structure, Morphology and Magnetism in Postperovskite Oxide Solid Solutions

    OpenAIRE

    Hirai, Shigeto; Sanehira, Takeshi; Nishiyama, Norimasa; Irifune, Tetsuo; Klemme, Stephan; Bromiley, Geoffrey; Attfield, J. Paul

    2011-01-01

    High-quality polycrystalline samples of type CaIr1-xPtxO3 solid solutions (x = 0.3, 0.5, 0.7) and CaIr0.5Rh0.5O3 have been synthesized at a pressure of 15 GPa, and their structures and properties are compared with those of CaIrO3. Substantial [100] grain growth is observed in all samples, leading to pronounced texture even in powdered materials. Small changes in the lattice constants and octahedral distortions are observed across the CaIr1-xPtxO3 series. CaIrO3 is semiconducting and shows tem...

  6. Magnetic properties of Ho1- x Lu x B12 solid solutions

    Science.gov (United States)

    Gabáni, S.; Gaz̆o, E.; Pristás̆, G.; Takác̆ová, I.; Flachbart, K.; Shitsevalova, N.; Siemensmeyer, K.; Sluchanko, N.

    2013-05-01

    Magnetic properties of the geometrically frustrated antiferromagnet HoB12 (with T N = 7.4 K) modified by substitution of magnetic Ho atoms through non-magnetic Lu ones are presented and discussed. In this case, in Ho1- x Lu x B12 solid solutions, both chemical pressure resulting from different Lu3+ and Ho3+ radii and magnetic dilution take place with increasing Lu content ( x) that change properties of the system. The received results show strong indication for the existence of a quantum critical point near x = 0.9, which separates the region of magnetic order (starting with HoB12 for x = 0) and the nonmagnetic region (ending with superconducting LuB12 for x = 1).

  7. Microwave synthesis of solid solutions of urania and thoria - a comparative study

    Energy Technology Data Exchange (ETDEWEB)

    Chandramouli, V.; Anthonysamy, S.; Vasudeva Rao, P.R. [Indira Gandhi Centre for Atomic Res., Kalpakkam (India). Fuel Chem. Div.; Divakar, R.; Sundararaman, D. [Metallurgy Division, Metallurgy and Materials Group, Indira Gandhi Centre for Atomic Research, Kalpakkam 603 102 (India)

    1998-03-01

    Recently a new route for the production of thoria powder that yields pellets of high density had been communicated. In continuation of this study, the method as applied to the preparation of (U, Th)O{sub 2} powders with various compositions is reported here. The powders were characterised for crystallite size by using XRD and transmission electron microscopy and BET surface area. As observed in the case of thoria, the powders obtained in this study were found to be nanocrystalline. The sinterability of the powder was determined by measuring the density of the sintered pellets prepared from these powders. The sintering was carried out at 1573 K in argon atmosphere. The feasibility of calcining and sintering of the solid solutions by using microwave heating was also studied. (orig.). 28 refs.

  8. Characterization of berkelium(III) dipicolinate and borate compounds in solution and the solid state.

    Science.gov (United States)

    Silver, Mark A; Cary, Samantha K; Johnson, Jason A; Baumbach, Ryan E; Arico, Alexandra A; Luckey, Morgan; Urban, Matthew; Wang, Jamie C; Polinski, Matthew J; Chemey, Alexander; Liu, Guokui; Chen, Kuan-Wen; Van Cleve, Shelley M; Marsh, Matthew L; Eaton, Teresa M; van de Burgt, Lambertus J; Gray, Ashley L; Hobart, David E; Hanson, Kenneth; Maron, Laurent; Gendron, Frédéric; Autschbach, Jochen; Speldrich, Manfred; Kögerler, Paul; Yang, Ping; Braley, Jenifer; Albrecht-Schmitt, Thomas E

    2016-08-26

    Berkelium is positioned at a crucial location in the actinide series between the inherently stable half-filled 5f(7) configuration of curium and the abrupt transition in chemical behavior created by the onset of a metastable divalent state that starts at californium. However, the mere 320-day half-life of berkelium's only available isotope, (249)Bk, has hindered in-depth studies of the element's coordination chemistry. Herein, we report the synthesis and detailed solid-state and solution-phase characterization of a berkelium coordination complex, Bk(III)tris(dipicolinate), as well as a chemically distinct Bk(III) borate material for comparison. We demonstrate that berkelium's complexation is analogous to that of californium. However, from a range of spectroscopic techniques and quantum mechanical calculations, it is clear that spin-orbit coupling contributes significantly to berkelium's multiconfigurational ground state. PMID:27563098

  9. Thermodynamics of oxygen in solid solution in vanadium and niobium--vanadium alloys

    International Nuclear Information System (INIS)

    A thermodynamic study has been made of the vanadium--oxygen and niobium--vanadium--oxygen systems utilizing the solid state galvanic cell technique. Investigations were made with a ThO2/Y2O3 electrolyte over the temperature ranges 700 to 12000C (973 to 1473 K) for the binary system and 650 to 11500C (923 to 1423 K) for the ternary system. The activity of oxygen in vanadium obeys Henry's law for the temperatures of this investigation for concentrations up to 3.2 at.% oxygen. For higher concentrations the activity coefficient shows positive deviations from Henry's law. The oxygen activity, entropy, and enthalpy can be described over the entire composition range by interstitial solution theories when it is assumed that second nearest neighbor oxygen--oxygen interaction energies are of the same magnitude as the first nearest neighbor interactions. The terminal solubility of oxygen in vanadium was determined

  10. Theoretical study on phase coexistence in ferroelectric solid solutions near the tricritical point

    International Nuclear Information System (INIS)

    Phase coexistence in ferroelectric solid solutions near the tricritical point has been theoretically analyzed by using the Landau-Devonshire theory. Results revealed that different phases having similar potential wells could coexist in a narrow composition range near the tricritical point in the classical Pb(Zr1−xTix)O3 system. The potential barrier between potential wells increases with the decrease of temperature. Coexisting phases or different domains of the same phase can produce adaptive strains to maintain atomic coherency at the interfaces or domain walls. Such compatibility strains have influence on the energy potential as well as the stability of relative phases, leading to the appearance of energetically unfavorable monoclinic phases. Those competing and coexisting phases also construct an easy phase transition path with small energy barrier in between, so that very small stimuli can produce large response in compositions near the morphotropic phase boundary, especially near the tricritical point

  11. Hydration of AMP and ATP Molecules in Aqueous Solution and Solid Films

    Directory of Open Access Journals (Sweden)

    Dzhigangir Faizullin

    2013-11-01

    Full Text Available Water enables life and plays a critical role in biology. Considered as a versatile and adaptive component of the cell, water engages a wide range of biomolecular interactions. An organism can exist and function only if its self-assembled molecular structures are hydrated. It was shown recently that switching of AMP/ATP binding to the insulin-independent glucose transporter Human Erythrocyte Glucose Transport Protein (GLUT1 may greatly influence the ratio of bulk and bound water during regulation of glucose uptake by red blood cells. In this paper, we present the results on the hydration properties of AMP/ATP obtained by means of dielectric spectroscopy in aqueous solution and for fully ionized forms in solid amorphous films with the help of gravimetric studies.

  12. The solid solution Lu2-xScxSiO5

    International Nuclear Information System (INIS)

    The monoclinic silicates Lu2SiO5 and Sc2SiO5 (Y2SiO5 type, space groupC2/c) forma solid solution Lu2-xScxSiO5. Samples with x = 0.5, 0.8, 1.0 were synthesized ceramically from Lu2O3, Sc2O3, and SiO2. The structures of three crystals with x = 0.88, 0.77, and 0.50 were refined on the basis of single-crystal X-ray diffraction data. The rare earth (RE) atoms occupy two crystallographically different 8 f sites with oxygen coordination numbers (CN) of 6 (RE2) and 7 (RE1). Refinements of the occupancy parameters showed Lu/Sc mixing for both sites with a strong preference of the smaller scandium atoms for CN6. (orig.)

  13. Theoretical study on phase coexistence in ferroelectric solid solutions near the tricritical point

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Xiaoyan, E-mail: luxy@hit.edu.cn, E-mail: dzk@psu.edu; Li, Hui [Key Lab of Structures Dynamic Behavior and Control of the Ministry of Education, School of Civil Engineering, Harbin Institute of Technology, Harbin 150001 (China); Zheng, Limei [Condensed Matter Science and Technology Institute, Harbin Institute of Technology, Harbin 150001 (China); Cao, Wenwu [Condensed Matter Science and Technology Institute, Harbin Institute of Technology, Harbin 150001 (China); Department of Mathematics and Materials Research Institute, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States)

    2015-04-07

    Phase coexistence in ferroelectric solid solutions near the tricritical point has been theoretically analyzed by using the Landau-Devonshire theory. Results revealed that different phases having similar potential wells could coexist in a narrow composition range near the tricritical point in the classical Pb(Zr{sub 1−x}Ti{sub x})O{sub 3} system. The potential barrier between potential wells increases with the decrease of temperature. Coexisting phases or different domains of the same phase can produce adaptive strains to maintain atomic coherency at the interfaces or domain walls. Such compatibility strains have influence on the energy potential as well as the stability of relative phases, leading to the appearance of energetically unfavorable monoclinic phases. Those competing and coexisting phases also construct an easy phase transition path with small energy barrier in between, so that very small stimuli can produce large response in compositions near the morphotropic phase boundary, especially near the tricritical point.

  14. Synthesis, characterization and thermal stability of solid solutions Zr (Y, Fe, Mo)O {sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Legorreta-Garcia, F.; Esperanza Hernandez-Cruz, L.; Villanueva-Ibanez, M.; Flores-Gonzalez, M. A.

    2015-10-01

    The synthesis of Fe{sup 3}+, Mo{sup 4+} and Y{sup 3+} fully stabilized zirconia by the nitrate/urea combustion route and thermal stability in air was investigated. The solid solution obtained was characterized by X ray diffraction (XRD), scanning electron microscopy (SEM) and used the BET method for determining specific surface. The ceramic powders obtained were calcined at 1473 K in air atmosphere in order to determine their thermal stability. The scanning electron microscopy (SEM) results showed a homogeneous grain surface, measuring several tens of micrometers across. The crystallographic study revealed that by this method it was successfully achieved zirconia doped with Fe{sup 3+}, Mo{sup 4+} and Y{sup 3+} ions in the zirconia tetragonal monophase, even after calcinations. (Author)

  15. Statistical thermodynamics of non-stoichiometric ceria and ceria zirconia solid solutions.

    Science.gov (United States)

    Bulfin, B; Hoffmann, L; de Oliveira, L; Knoblauch, N; Call, F; Roeb, M; Sattler, C; Schmücker, M

    2016-08-17

    The thermodynamic redox properties of ceria and ceria zirconia solid solutions are analysed with a new methodology for modelling such systems based on the statistical mechanics of lattice configurations. Experimental thermogravimetric equilibrium data obtained for small non-stoichiometry measurements are combined with literature data to cover a large range of non-stoichiometry (CeO2-δ, δ = 0.001-0.32), temperature (1073-1773 K) and oxygen partial pressure (1-10(-13) bar). A dilute species model of defect clusters , obeying the law of mass action, was sufficient to describe the system over the whole range of conditions, leading to a simple analytical equation of state for the system. This offers new physical insight into the redox properties of ceria based materials, and the theoretical methods developed should also be of great interest for other materials which exhibit continuous oxygen non-stoichiometry similar to ceria, such as perovskite oxides. PMID:27494765

  16. Mg Sheet Metal Forming: Lessons Learned from Deep Drawing Li and Y Solid-Solution Alloys

    Energy Technology Data Exchange (ETDEWEB)

    Agnew, Sean R [University of Virginia; Senn, Jeremy W. [University of Virginia; Horton Jr, Joe A [ORNL

    2006-01-01

    The sheet formability of current magnesium alloys at ambient temperatures is poor; however, the formability at moderately elevated temperatures can be excellent. Cylindrical cup drawing tests are used to compare the warm forming characteristics of conventional alloy AZ31B with alloys containing lithium oryttrium solid solutions. While both types of experimental alloy can have better room-temperature ductility ({epsilon}{sub f}-25-30%) than AZ31B, only the lithium alloy has comparable or better deep-drawing capacity. The results are discussed in terms of the sheet anisotropy. Particular attention is drawn to the fact that magnesium alloys exhibit poor bending ductility due to their anisotropy and mechanical twinning-induced tension-compression strength asymmetry.

  17. Dielectric properties of HfTiO4-ZrTiO4 solid solutions

    International Nuclear Information System (INIS)

    This paper reports on dielectric properties of solid solutions in the system HfTiO4-ZrTiO4 that were measured for specimens made under different heat treatments. The relative permittivity of the quenched form decreased with increasing Hf content; however, that of the furnace cooled form had a peak permittivity value for a composition with Zr content of 0.75. Similar results were achieved with the temperature coefficient of capacitance (TCc). The material with zero TCc was revealed obtainable by optimizing composition and/or heat treatment. Many changes in dielectric properties agreed with the prediction that ZrTiZO4 specimens containing SnO2 exhibit properties similar to HfTiO4

  18. Dielectric properties of lead orthovanadate and orthophosphate and some solid solutions on theirs basis

    International Nuclear Information System (INIS)

    The dielectric properties of the monocrystals of the ferroelastics Pb3(PO4)2 and Pb3(VO4)2 were investigated. The dependencies of dielectric permeability and double refraction upon temperature were measured. The domain structure and the effect of pressure upon it were studied. The influence of BaO, CaO and Cr2O3 additions upon the properties of Pb3(V4)2 monocrystals and upon the system of monocrystalline solid solutions of Pb3(VO4)2 - Pb3(PO4)2 was also examined. Similar to the case of usual segnetoelectrics, introduction of additions into segnetoelastic crystals was found to lead to spreading of the phase transition

  19. Unstable deformation in normal and superconducting states: Al-Li solid solution

    International Nuclear Information System (INIS)

    The low temperature unstable deformation (LTUD) of the Al-3.8 at.% Li solid solution is studied at temperature 0.52 K in normal (N) and superconducting (S) states. The value of softening effect at NS-transition is used to eliminate the local heating of the sample. The local heating is found to be insufficient to change the sign of temperature sensitivity of flow stress and these to explain the NS-transition effect on LTUD within the framework of heat conception. the statistical analysis of the stress jumps shows that the frequency distribution of the jump amplitudes in the N-states is described by the power law with the exponent α=1.3±0.2. The power law is considered as a factor of the self-organized criticality in the dislocation dynamics and the LTUD as a manifestation of avalanche-like motion of dislocation pile-ups

  20. Magnetic properties of Sm{sub x}Mn{sub 1-x}S solid solutions

    Energy Technology Data Exchange (ETDEWEB)

    Aplesnin, Sergei; Romanova, Oxana; Ryabinkina, Ludmila; Eremin, Evgenii [Kirensky Institute of Physics, Russian Academy of Sciences, Siberian Branch, Akademgorodok 50 bld. 38, Krasnoyarsk 660036 (Russian Federation); Siberian State Aerospace University, Krasnoyarsk 660014 (Russian Federation); Har' kov, Alexandr [Siberian State Aerospace University, Krasnoyarsk 660014 (Russian Federation); Velikanov, Dmitrii [Kirensky Institute of Physics, Russian Academy of Sciences, Siberian Branch, Akademgorodok 50 bld. 38, Krasnoyarsk 660036 (Russian Federation); Solokov, Vladimir; Pichugin, Andrey [Institute of Inorganic Chemistry, Russian Academy of Sciences, Siberian Branch, 630090 Novosibirsk (Russian Federation); Demidenko, Olga; Makovetskii, Gennadii; Yanushkevich, Kazimir [GO NPTs Materials Science Center, National Academy of Sciences of Belarus, Minsk 220072 (Belarus)

    2011-08-15

    The structural and magnetic properties of Sm{sub x}Mn{sub 1-x}S (0.01 {<=} x {<=} 0.2) solid solutions synthesized on the basis of an antiferromagnetic semiconductor {alpha}-MnS are experimentally studied in the temperature range 4.2-300 K in magnetic fields up to 9 T. The magnetic hysteresis in Sm{sub 0.05}Mn{sub 0.95}S is observed in the magnetic fields 6 T < H < 9 T at low temperatures and linear magnetization dependence on field for compound with x = 0.2. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  1. High temperature solid solution strengthening by Nb additions on Mo3Si matrix

    International Nuclear Information System (INIS)

    Ternary element Nb addition on a Mo3Si matrix resulted in improved mechanical properties. Solid solution additions on the alloys at different Nb concentrations were evaluated. High temperature compression test at 1300 and 1400 deg. C at 10-5 s-1 shown a strong temperature and composition dependence. The calculated stress exponent from compressive analysis resulted to be n=6. Diffusion analysis were performed by using a couple of samples with and without Nb in two different conditions (t, at.%). The results from the strengthening obtained, are interpreted by calculating the diffusion coefficient. This increment in the creep strength is rationalized in terms of substitutional considering the atomic sizes for Mo and Nb

  2. Analysis of electrostatic stability and ordering in quaternary perovskite solid solutions

    Science.gov (United States)

    Caetano, Clovis; Butler, Keith T.; Walsh, Aron

    2016-04-01

    There are three distinct classes of perovskite structured metal oxides, defined by the charge states of the cations: AIBVO3,AIIBIVO3 , and AIIIBIIIO3 . We investigated the stability of cubic quaternary solid solutions A B O3-A'B'O3 using a model of point-charge lattices. The mixing enthalpies were calculated and compared for the three possible types of combinations of the compounds, both for the random alloys and the ground-state-ordered configurations. The mixing enthalpy of the (I,V)O3-(III,III)O3 alloy is always larger than the other alloys. We found that, different from homovalent alloys, for these heterovalent alloys a lattice constant mismatch between the constituent compounds could contribute to stabilize the alloy. At low temperatures, the alloys present a tendency to spontaneous ordering, forming superlattices consisting of alternated layers of AB O 3 and A'B'O3 along the [110 ] direction.

  3. Thermodynamics of magnesian calcite solid-solutions at 25°C and 1 atm total pressure

    Science.gov (United States)

    Busenberg, Eurybiades; Plummer, L. Niel

    1989-01-01

    The stability of magnesian calcites was reexamined, and new results are presented for 28 natural inorganic, 12 biogenic, and 32 synthetic magnesian calcites. The magnesian calcite solid-solutions were separated into two groups on the basis of differences in stoichiometric solubility and other physical and chemical properties. Group I consists of solids of mainly metamorphic and hydrothermal origin, synthetic calcites prepared at high temperatures and pressures, and synthetic solids prepared at low temperature and very low calcite supersaturations () from artificial sea water or NaClMgCl2CaCl2solutions. Group I solids are essentially binary s of CaCO2 and MgCO2, and are thought to be relatively free of structural defects. Group II solid-solutions are of either biogenic origin or are synthetic magnesian calcites and protodolomites (0–20 and ∼ 45 mole percent MgCO3) prepared at high calcite supersaturations () from NaClNa2SO4MgCl2CaCl2 or NaClMgCl2CaCl2 solutions. Group II solid-solutions are treated as massively defective solids. The defects include substitution foreign ions (Na+ and SO42−) in the magnesian calcite lattice (point defects) and dislocations (~2 · 109 cm−2). Within each group, the excess free energy of mixing, GE, is described by the mixing model , where x is the mole fraction of the end-member Ca0.5Mg0.5CO3 in the solid-solution. The values of A0and A1 for Group I and II solids were evaluated at 25°C. The equilibrium constants of all the solids are closely described by the equation ln , where KC and KD are the equilibrium constants of calcite and Ca0.5Mg0.5CO3. Group I magnesian calcites were modeled as sub-regular solid-solutions between calcite and dolomite, and between calcite and “disordered dolomite”. Both models yield almost identical equilibrium constants for these magnesian calcites. The Group II magnesian calcites were modeled as sub-regular solid-solutions between defective calcite and

  4. Investigating the effect of compression on solute transport through degrading municipal solid waste

    International Nuclear Information System (INIS)

    Highlights: • The influence of compression on MSW flushing was evaluated using 13 tracer tests. • Compression has little effect on solute diffusion times in MSW. • Lithium tracer was conservative in non-degrading waste but not in degrading waste. • Bromide tracer was conservative, but deuterium was not. - Abstract: The effect of applied compression on the nature of liquid flow and hence the movement of contaminants within municipal solid waste was examined by means of thirteen tracer tests conducted on five separate waste samples. The conservative nature of bromide, lithium and deuterium tracers was evaluated and linked to the presence of degradation in the sample. Lithium and deuterium tracers were non-conservative in the presence of degradation, whereas the bromide remained effectively conservative under all conditions. Solute diffusion times into and out of less mobile blocks of waste were compared for each test under the assumption of dominantly dual-porosity flow. Despite the fact that hydraulic conductivity changed strongly with applied stress, the block diffusion times were found to be much less sensitive to compression. A simple conceptual model, whereby flow is dominated by sub-parallel low permeability obstructions which define predominantly horizontally aligned less mobile zones, is able to explain this result. Compression tends to narrow the gap between the obstructions, but not significantly alter the horizontal length scale. Irrespective of knowledge of the true flow pattern, these results show that simple models of solute flushing from landfill which do not include depth dependent changes in solute transport parameters are justified

  5. Microstructure evolution of Mg–6Gd–2Y alloy during solid solution and aging process

    International Nuclear Information System (INIS)

    The microstructure evolution of Mg–6 wt% Gd–2 wt% Y alloy (denoted as GW62) during solid solution and aging process were investigated by optical microscope, scanning electron microscope, energy dispersive spectroscopy, X-ray diffraction and high resolution transmission electron microscopy. The microstructure of as-cast GW62 alloy is comprised of isometric α(Mg) crystals, equilibrium phase Mg5(Gd,Y), and non-equilibrium phase Mg2(Gd,Y). With the increase of solution treatment time, the sizes of the semicontinuous Mg5(Gd,Y) phases gradually decrease until dissolved. Rare-earth-rich phases (Mg(Gd,Y)2) with fcc structures a=0.56 nm were newly generated in the alloy at grain boundaries and inside grains after solution treatment, which could hinder the growth of isometric α(Mg) crystals in the solution process. The maximum hardness of the GW62 alloy is significantly different for different aging temperatures. The age-hardening effect is most apparent at 175 °C. The microstructural evolution of the alloy after aging at 175 °C was as follows: the β″ phase precipitated from α(Mg) during the under-aging stage (4–32 h); next, the β′ phase precipitated from α(Mg) up until peak aging was reached (32–100 h); as aging time progressed, the hardening reached its maximum at 100 h. At this stage, the precipitated phases were the β′ and β″ phases; finally, during over-aging (>100 h), the size of β′ phase continually increased while transforming into the β1 and β phases

  6. Dissolution of britholites and monazite / brabantite solid solutions doped with actinides

    International Nuclear Information System (INIS)

    In the field of the radwaste storage in underground repository, several matrices were considered as promising ceramics for the specific immobilization of actinides. Two of them, britholites and monazite/ brabantite solid solution, have been considered during this work. In order to examine the dissolution mechanisms occurring at the solid liquid interface, several leaching experiments have been conducted on (LnIIIPO4 ), brabantite (CaIIAnIV(PO4)2: An = Th, U) and britholites (Ca9Nd0.5An0.5IV (PO4)4.5(SiO4)1.5F2: An = Th, U). Some steady experiments, performed in under saturation conditions for various pH and temperature conditions allowed to evaluate the long term behaviour of such matrices through their chemical durability. On the contrary, the thermodynamic equilibria were examined through the leaching experiments performed near the saturation conditions. By the way, various secondary phases, precipitated onto the surface of altered samples have been identified and characterized. Among them, the (Nd, Ca, Th) - rhabdophane, novelly prepared in over- saturation experiments for a thorium weight loading lower than 11 % appeared to be metastable. Indeed, it turns into TPHPH (Th2(PO4)2HPO4.H2O) and Nd - rhabdophane (NdPO4.1/2H2O) when increasing leaching time. (author)

  7. The solid solutions (Ce{sub 1-x}La{sub x})RuSn

    Energy Technology Data Exchange (ETDEWEB)

    Niehaus, Oliver; Winter, Florian; Poettgen, Rainer [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie and NRW Graduate School of Chemistry; Chevalier, Bernard [ICMCB, Bordeaux Univ., CNRS, Pessac (France); Abdala, Paula M. [European Synchrotron Radiation Facility, Grenoble (France). SNBL at ESRF

    2013-12-15

    X-Ray-pure samples of the solid solutions (Ce{sub 1-x}La{sub x})RuSn were obtained up to x = 0.5. Powder diffraction data show the CeRuSn-type superstructure up to x {approx} 0.3 and the CeCoAl-type subcell for higher lanthanum contents. The structure of a single crystal with x = 0.5 was refined on the basis of single-crystal X-ray diffractometer data: CeCoAl type, C2/m, a = 1160.8(2), b = 477.6(1), c = 511.6(1) pm, {beta} = 102.97(2) , wR = 0.0510, 444 F{sup 2} values, 20 variables. Magnetic investigations were performed for all samples up to a lanthanum content of x = 0.4. No cooperative phenomena could be observed, and all samples show Curie-Weiss behavior above a certain temperature. The cerium valence is about 3.32(2) for all samples of the solid solution. Hence, La{sup 3+} has to replace Ce{sup 3+} as well as Ce{sup 4+} in a particular quantity. The electrical resistivity measurements confirm the suppression of the magnetic ordering and the structural transition upon replacement of cerium by lanthanum. {sup 119}Sn Moessbauer spectra of samples with x = 0.2 and 0.5 are indicative of single tin sites with isomer shifts of {delta} = 1.86(1) mm s{sup -1} for x = 0.2 and {delta} = 1.88(1) mm s{sup -1} for x = 0.5. Both signals are subject to significant quadrupole splitting, a consequence of the low site symmetry. Results of XANES measurements are perfectly in line with the cerium valences determined by susceptibility measurements and yield a constant value of 3.16(1) for all investigated compounds. (orig.)

  8. Reactive transport in a partially molten system with binary solid solution

    Science.gov (United States)

    Jordan, Jacob S.; Hesse, Marc A.

    2015-12-01

    Melt extraction from the Earth's mantle through high-porosity channels is required to explain the composition of the oceanic crust. Feedbacks from reactive melt transport are thought to localize melt into a network of high-porosity channels. Recent studies invoke lithological heterogeneities in the Earth's mantle to seed the localization of partial melts. Therefore, it is necessary to understand the reaction fronts that form as melt flows across the lithological interface between the heterogeneity and the ambient mantle. Here we present a chromatographic analysis of reactive melt transport across lithological boundaries, using the theory of hyperbolic conservation laws. This is an extension of linear trace element chromatography to the coupling of major elements and energy transport. Our analysis allows the prediction of the nonlinear feedbacks that arise in reactive melt transport due to changes in porosity. This study considers the special case of a partially molten porous medium with binary solid solution. As melt traverses a lithological contact, binary solid solution leads to the formation of a reacted zone between an advancing reaction front and the initial contact. The analysis also shows that the behavior of a fertile heterogeneity depends on its absolute concentration, in addition to compositional differences between itself and the refractory background. We present a regime diagram that predicts if melt emanating from a fertile heterogeneity localizes into high-porosity channels or develops a zero porosity shell. The theoretical framework presented here provides a useful tool for understanding nonlinear feedbacks in reactive melt transport, because it can be extended to more complex and realistic phase behaviors.

  9. Smooth and robust solutions for Dirichlet boundary control of fluid-solid conjugate heat transfer problems

    KAUST Repository

    Yan, Yan

    2015-01-01

    We study a new optimization scheme that generates smooth and robust solutions for Dirichlet velocity boundary control (DVBC) of conjugate heat transfer (CHT) processes. The solutions to the DVBC of the incompressible Navier-Stokes equations are typically nonsmooth, due to the regularity degradation of the boundary stress in the adjoint Navier-Stokes equations. This nonsmoothness is inherited by the solutions to the DVBC of CHT processes, since the CHT process couples the Navier-Stokes equations of fluid motion with the convection-diffusion equations of fluid-solid thermal interaction. Our objective in the CHT boundary control problem is to select optimally the fluid inflow profile that minimizes an objective function that involves the sum of the mismatch between the temperature distribution in the fluid system and a prescribed temperature profile and the cost of the control.Our strategy to resolve the nonsmoothness of the boundary control solution is based on two features, namely, the objective function with a regularization term on the gradient of the control profile on both the continuous and the discrete levels, and the optimization scheme with either explicit or implicit smoothing effects, such as the smoothed Steepest Descent and the Limited-memory Broyden-Fletcher-Goldfarb-Shanno (L-BFGS) methods. Our strategy to achieve the robustness of the solution process is based on combining the smoothed optimization scheme with the numerical continuation technique on the regularization parameters in the objective function. In the section of numerical studies, we present two suites of experiments. In the first one, we demonstrate the feasibility and effectiveness of our numerical schemes in recovering the boundary control profile of the standard case of a Poiseuille flow. In the second one, we illustrate the robustness of our optimization schemes via solving more challenging DVBC problems for both the channel flow and the flow past a square cylinder, which use initial

  10. A solid solution series of atacamite type Ni2xMg2−2xCl(OH)3

    International Nuclear Information System (INIS)

    For the first time a complete solid solution series Ni2xMg2−2xCl(OH)3 of an atacamite type alkaline main group metal chloride, Mg2Cl(OH)3, and a transition group metal chloride, Ni2Cl(OH)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/MgO4Cl2 and Ni/MgO5Cl octahedra. The distribution of Ni2+- and Mg2+-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)Cl2x(OH)2−2x, with variable Cl: OH ratio up to the 1:3 ratio according to the formula Ni2xMg2−2x Cl(OH)3. For one isolated intermediate solid solution member, Ni0.70Mg0.30Cl0.58(OH)1.42, the formation and crystal structure is presented as well. - Graphical abstract: For the first time a complete solid solution series, Ni2xMg2−2x Cl(OH)3, was synthesized and characterized. Structure solution by revealed that Ni2+ prefers to occupy the Jahn–Teller-like distorted hole, out of two available cation sites. Substitution of Ni2+ by Mg2+ in atacamite type Ni2Cl(OH)3 results in systematic band shifts in Raman and IR spectra as well as in systematic changes in thermal properties. The α-polymorphs M2Cl(OH)3 with M=Mg2+, Ni2+ 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. • Ni2+ prefers to occupy Jahn–Teller-like distorted octahedral holes. • Substitution of Ni2+ by Mg2+ results in systematic Raman and IR band shifts. • α-Polymorphs M2Cl(OH)3 with M=Mg2+, Ni2+, … as described in literature do not exist

  11. Crystalline structure and electrical properties of solid solutions YNixMn1-xO3

    Directory of Open Access Journals (Sweden)

    Moure, C.

    1999-12-01

    Full Text Available Solid solutions belonging to the Mn-rich region of the YNiXMn1-XO3 system have been studied. The powders were prepared by solid state reaction between the corresponding oxides. Sintered ceramics were obtained by firing at 1325-1350ºC. The incorporation of 20 atomic % Ni2+ to the Yttrium manganite induces the formation of a perovskite phase, with orthorhombic symmetry. Increase of the Ni amount leads to an increase of the orthorhombicity factor b/a, up to an amount of 50 atomic % Ni2+. Above this Ni amount, a biphasic system has been observed, with the presence of unreacted Y2O3. DC electrical conductivity measurements have shown semiconducting behaviour for all the solid solutions with perovskite-type structure. The room temperature conductivity increases with Ni until ~33 atomic % Ni, and then decreases. The 50/50 Ni/Mn composition has different values of conductivity and activation energy against those corresponding to samples with lower values of that ionic ratio. Small polaron hopping mechanism controls the conductivity in these ceramics. Results are discussed as a function of the Mn3+/Mn4+ ratio for each composition.Se han estudiado las soluciones sólidas correspondientes a la región rica en Mn del sistema YNiXMn1-XO3, entre 0 y 50 atomic % Ni. Los compuestos fueron preparados por reacción en estado sólido de los óxidos correspondientes. Se sinterizaron materiales cerámicos a 1325-1350ºC. Con cantidades de 20 atomic % Ni se produce la formación de una fase con estructura de perovskita, y simetría ortorrómbica. La distorsión ortorrómbica crece con el contenido de Ni. Por encima de 50 atomic % Ni, aparece Y2O3 sin reaccionar. Las soluciones sólidas muestran semiconducción con valores de σ que aumentan con el contenido de Ni hasta ~33 atomic %, para luego decrecer, hasta x=0.5. La composición 50/50 Ni/Mn muestra un comportamiento eléctrico algo diferente. Se discuten los resultados en función de la razón Mn3+/Mn4+ para cada

  12. Sustainable municipal solid waste management: A qualitative study on possibilities and solutions in Mutomo, Kenya

    OpenAIRE

    Selin, Emma

    2013-01-01

    This report investigates the possibilities and solutions for a sustainable municipal solid waste management in the community of Mutomo, situated in Kitui County, Kenya. The aim was to formulate an action plan to start reaching for a sustainable development in the waste sector, with citizen participation. Specific research questions were to find requests and ideas from the community members. Also, how the Swedish solid waste management system is built up in order to find potential good example...

  13. High temperature thermodynamics of H2 and D2 in titanium, and in dilute titanium oxygen solid solutions

    International Nuclear Information System (INIS)

    The Tian Calvet microcalorimetric method has been improved in order to determine ΔH-barsub(H)(D), the partial molar enthalpy of mixing of hydrogen (deuterium) in the Ti-H2(D2) solid systems for compositions 0 2 solid solutions (y = (O/Ti)) at 745 K. The combined calorimetric and equilibrium method allows a precise evaluation of the partial molar entropies. The results of this study differ substantially from earlier published data. (author)

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

    International Nuclear Information System (INIS)

    High-temperature x-ray diffraction techniques were used to determine the axial thermal expansion curves of HfTiO4-HfO2 solid solutions as a function of composition. Data show increasing anisotropy with increasing HfO2 content. An orthorhombic-to-monoclinic phase transformation was detected near room temperature for compositions near the high HfO2 end of the orthorhombic phase field and for compositions within the two-phase region (HfTiO4 solid solution plus HfO2 solid solution). An orthorhombic-to-cubic phase transformation is indicated by data from oxygen-deficient materials at greater than 18730K. (U.S.)

  15. Raman spectroscopic studies on structure and phase stability of nanocrystalline Ce1-xLaxO2-δ solid solutions

    International Nuclear Information System (INIS)

    CeO2(C) is one of the most attractive and reactive rare earth metal oxides that has been extensively studied and employed in various applications, including catalysts, oxygen storage capacitors, ion conductors, UV blockers, and polishing materials. Amongst, the most promising use of ceria is in catalysts, where it is used as a support or an active catalyst. However, the thermostability of pure ceria is poor under high-temperature conditions; thereby its oxygen storage capacity (OSC) decreases significantly. Overcome this problem various dopants are introduced into ceria lattice. On those lines, we have developed a novel ceria-lanthana nanosized solid solution for various applications. The investigated CeO2-La2O3 (CL) (80:20) solid solutions were synthesized by a modified coprecipitation method which facilitates reasonably high specific surface area, homogeneous distribution of metal oxides in the bulk, and better thermal stability. The synthesized solid solutions were characterized by various techniques

  16. Fabrication and Performance of All-Solid-State Chloride Sensors in Synthetic Concrete Pore Solutions

    Directory of Open Access Journals (Sweden)

    Hongwei Deng

    2010-11-01

    Full Text Available One type of all-solid-state chloride sensor was fabricated using a MnO2 electrode and a Ag/AgCl electrode. The potentiometric response of the sensor to chloride in synthetic concrete pore solutions was systematically studied, and the polarization performance was also evaluated. The results show a good linear relationship between the potential reading of the sensor and the logarithm of chloride activity (concentration ranges from 0.05 to 5.0 M, and the potential value remains stable with increasing immersion time. The existence of K+, Ca2+, Na+ and SO42− ions have little influence on the potentiometric response of the sensor to chloride, but the pH has a significant influence on the potential value of the sensor at low chloride concentration. The potential reading of the sensor increases linearly with the solution temperature over the range from 5 to 45 °C. Meanwhile, an excellent polarization behavior is proven by galvanostatic and potentiodynamic tests. All of the results reveal that the developed sensor has a great potential for monitoring chloride ions in concrete environments.

  17. Fabrication and performance of all-solid-state chloride sensors in synthetic concrete pore solutions.

    Science.gov (United States)

    Gao, Xiaojian; Zhang, Jian; Yang, Yingzi; Deng, Hongwei

    2010-01-01

    One type of all-solid-state chloride sensor was fabricated using a MnO(2) electrode and a Ag/AgCl electrode. The potentiometric response of the sensor to chloride in synthetic concrete pore solutions was systematically studied, and the polarization performance was also evaluated. The results show a good linear relationship between the potential reading of the sensor and the logarithm of chloride activity (concentration ranges from 0.05 to 5.0 M), and the potential value remains stable with increasing immersion time. The existence of K(+), Ca(2+), Na(+) and SO(4) (2-) ions have little influence on the potentiometric response of the sensor to chloride, but the pH has a significant influence on the potential value of the sensor at low chloride concentration. The potential reading of the sensor increases linearly with the solution temperature over the range from 5 to 45 °C. Meanwhile, an excellent polarization behavior is proven by galvanostatic and potentiodynamic tests. All of the results reveal that the developed sensor has a great potential for monitoring chloride ions in concrete environments. PMID:22163467

  18. Evolution of microstructures in nickel solid solution fatigued at high temperature: occurence of an intragranular cavitation

    International Nuclear Information System (INIS)

    We studied by T.E.M. the microstructures appearing in Nickel solid solution fatigued in push-pull between 0.4 Tm and 0.6 Tm (Tm=melting temperature), the maximum amplitude of stress was imposed: +- 100 MPa, three frequencies were used: 1.25 Hz, 2.5 Hz and 10 Hz. In Ni 6% at Ge the structure of dislocations evolves continuously with the number of cycles: homogeneous distribution of dislocations, cell structure, then development of sub-grains 5 times as big as the cell; these sub-grains are not stable, they break up into cells. This succession of structures suggests a cyclic evolution. The cavities appear for number of cycles greater than a threshold number depending on the temperature and the frequency. The cavities are not distributed uniformly, they are located in zone. According to the conditions of sollicitation, the shape (equiaxe of small stick) and the distribution (uniform, in band, in crown) of the cavities fluctuate. This cavitation exists equally in other materials (Ni 4% at Si, Ni). This intra-granular cavitation has been observed in the same domain of temperatures as the domain of swelling in the same material under bombardment with ions Ni+. Due to this similitude we searched for a segregation of solute (like the induced precipitation by irradiation) but this phenomenon did not occur with our experimental conditions

  19. Electrophysical and galvanomagnetic properties of solid solutions in VN-CrN system

    International Nuclear Information System (INIS)

    Electric conductivity, thermal emf, Hall effect and magnetic resistance of solid solutions of VN-CrN system have been studied in a wide temperature range. Hot-pressed specimens have been tested for determining their electrophysical and galvanomagnetic properties. The electric conductivity and thermal emf have been measured at 77-1.300 deg K. The results obtained have shown that the energy spectrum is continuously changing from vanadium nitride to chromium nitride. VN and CrN energy spectra are presumably close to each other. Thus, their mutual solution apparently leads to mutually overlapped energy bands. There is a jump for Crsub(a.98)Vsub(0.05)N compound at a temperature of T 270 deg K resulting from a phase transition of the first kind. Determination of longitudinal and transverse magnetic resistance has shown that there is an anisotropy of Fermi isoenergy surface for Crsub(0.98)Vsub(0.05)N and Crsub(0.95)Vsub(0.10)N compounds

  20. Mechanosynthesis of supersaturated solid solutions of Sn in near-equiatomic bcc FeCo

    International Nuclear Information System (INIS)

    Highlights: ► (Fe50−x/2Co50−x/2)Snx mixtures are mechanically alloyed for x ≤ 33 at.%. ► As-ground powders are studied by X-ray diffraction and 57Fe and 119Sn Mössbauer spectroscopy. ► Supersaturated solutions of Sn in disordered bcc FeCo alloys are formed in our dynamical conditions up to x ≤ 20 at.%. ► This maximum Sn solubility found is much larger than the equilibrium solubility which is about 0.5 at.%. ► The mean 119Sn hyperfine field in the bcc alloys is essentially constant with x and equal to 9.6 T at room temperature. - Abstract: The mechanosynthesis of Fe–Co–Sn ternary alloys from initial powder mixtures of composition (Fe50−x/2Co50−x/2)Snx is studied for x ≤ 33 at.%. Disordered nanocrystalline bcc solid solutions are formed in that way up to Sn contents as large as ∼20 at.%. The dissolution of Sn in near-equiatomic bcc Fe–Co is unambiguously proven by X-ray diffraction and 57Fe and 119Sn Mössbauer spectroscopy.

  1. Cadmium Extraction from Solutions by Solid-Phase and its Trace Determination

    International Nuclear Information System (INIS)

    A new sensitive and selective spectrophotometric method for determination of trace amounts of cadmium using a polyvinyl chloride membrane containing bis-(2-ethylhexyl)phthalate as a solid phase extraction medium was investigated. Bis-(2-ethylhexyl)phthalate has used as a plasticizer. Cd(II) in an aqueous solution was trapped on the membrane in the form of colorful Cd (II)-I- - MG complexes (which MG is malachite green) and the cadmium complex was concentrated in the membrane. The absorbance of the green membrane was measured at 629 nm using a spectrophotometer, and then, the concentration of the cadmium was calculated using a calibration curve, which expressed the relationship between the Cd(II) concentration and the membrane absorbance after coloring for 25 min. The calibration curve was linear in the range of 10-760 μgL-1 cadmium in the test solution. The detection limit based on the 3Sbl criterion was 1.8199 μgL-1 and the relative standard deviations (RSD) were less than 4 % (n=5). The proposed method has been successfully applied to the determination of trace amounts of cadmium in the Tadjan River water sample (Sari-Iran), and the mean value of 28.7 μgL-1 was obtained

  2. Transport properties of the SnBi2Te4–PbBi2Te4 solid solution

    International Nuclear Information System (INIS)

    We report on the electrical and thermal transport properties of the Sn1−xPbxBi2Te4 series and we discuss the potential of these materials for thermoelectric conversion applications. From the evolution of the XRD patterns, we can confidently conclude that a complete solid solution exists between SnBi2Te4 and PbBi2Te4, with no miscibility gap. A crossover from p-type conduction in Sn-rich samples to n-type conduction in Pb-rich ones has been observed, with a transition between x=0.3 and 0.4. A concomitant increase of the electrical resistivity and of the Seebeck coefficient has been observed in the solid solution, which leads to almost constant values of the thermoelectric power factor. Moreover, the thermal conductivity is slightly reduced in the solid solution. The best figure of merit ZT values at room temperature have been observed for p-type Sn0.8Pb0.2Bi2Te4 with ZT=0.25 and for n-type Sn0.3Pb0.7Bi2Te4 with ZT=0.15. - Graphical abstract: Seebeck coefficient in (Pb/Sn)Bi2Te4 solid solution. - Highlights: • A complete solid solution exists between PbBi2Te4 and SnBi2Te4. • A crossover between p-type and n-type is observed for 0.3solid solution

  3. Synthesis and solubility of Pb-Ca and P-As hydroxylapatite solid solutions

    Science.gov (United States)

    Puzio, Bartosz; Młynarska, Maria; Motyka, Joanna; Oknińska, Joanna; Mandelt, Agnieszka; Chlebowska, Patrycja; Kwaśniak-Kominek, Monika; Manecki, Maciej

    2016-04-01

    The objective of the study are three solid solution series: - HPY hydroxylpyromorphite Pb5(PO4)3OH - HAP hydroxylapatite Ca5(PO4)3OH - HAP hydroxylapatite Ca5(PO4)3OH - JBM johnbaumite Ca5(AsO4)3OH - JBM johnbaumite Ca5(AsO4)3OH - HMI hydroxylmimetite Pb5(AsO4)3OH The phases were synthesized from aqueous solutions at high pH (over 8) at ambient temperature by dropwise mixing of chemical reagents: Pb(NO3)2, Ca(NO3)2.4H2O, (NH4)H2PO4, and Na2AsHO4.7H2O. The products of all syntheses are crystalline, monomineral fine powders (crystal size less than 1 μm). Their chemical composition is close to theoretical. Systematic shift of XRD peaks and FTIR or Raman bands is observed within the solid solution series. Dissolution experiments were run at 5oC, 25oC, 45oC, and 65oC. An aliquot of 0.5g of each phase was dissolved in 250 mL of 0.05M NH4NO3 (pH between 3 and 5) for about 3 months. In all cases dissolution resulted in increase of pH by about 1. The systems were considered in equilibrium when three consecutive samplings (ca. two weeks apart) resulted in similar concentrations (within 3 standard deviations). The dissolution of all phases in question is incongruent. The amount of precipitating secondary phases was too small for identification. The results of HPY - HAP dissolution experiments are inconclusive due to strongly incongruent dissolution. This is partially in contrary to recent report by Zhu et al. (2015). Systematic increase of solubility is observed in HAP - JBM series. Also, the solubility of these phases increases with the increase of temperature. This is more pronounced for HAP than for JBM. Systematic increase of solubility is also observed in HMI - JBM series. This work is partially funded by AGH research grant no 11.11.140.319 and partially by Polish NCN grant No 2014/01/M/ST10/00355. Zhu,Y., Zhu, Z., Zhao, X., Liang, Y., Huang, Y., 2015. Characterization, dissolution, and solubility of lead hydroxypyromorphite Pb5(PO4)3OH at 25-45oC. Journal of Chemistry

  4. Coordination Structure Conversion of Hydrazone-Palladium(II) Complexes in the Solid State and in Solution.

    Science.gov (United States)

    Kitamura, Fumi; Sawaguchi, Kana; Mori, Asami; Takagi, Shoji; Suzuki, Takayoshi; Kobayashi, Atsushi; Kato, Masako; Nakajima, Kiyohiko

    2015-09-01

    We prepared hydrazone-palladium(II) complexes of [PdCl2(HL(n))] and [PdCl(L(n))] (n = 1-3) by the reaction of [PdCl2(cod)] or [PdCl2(PhCN)2] and the hydrazone ligands of HL(n) {N'-(pyridin-2-ylmethylene)picolinohydrazide (HL(1)), N'-[1-(pyridin-2-yl)ethylidene]picolinohydrazide (HL(2)), and N'-[(6-methylpyridin-2-yl)methylene]picolinohydrazide (HL(3))}. The structures of the complexes were determined by X-ray analysis. The hydrazone ligands had κN(py1),κN(imine) and κN(amidate),κN(py2) bidentate coordination modes in [PdCl2(HL(n))] (1, n = 1; 2, n = 2) and in [PdCl2(HL(3))] (3), respectively. In contrast, tridentate coordination modes of κN(py1),κN(imine),κN(py2) and κN(py1),κN(amidate),κN(py2) were observed in [PdCl(L(n))] (4, n = 1; 5, n = 2) and in [PdCl(L(n))] (6, n = 1; 7, n = 2; 8, n = 3). Thermal conversion of complexes 1-3 to complexes 6-8 proceeded in acetonitrile. Complexes 4 and 5 were obtained from complexes 1 and 2, respectively, in a basic acetonitrile solution under dark conditions. Complex 4 reverted immediately to complex 1 in an acidic acetonitrile solution that included hydrochloric acid. However, under room light, in the basic acetonitrile solution that included trimethylamine, complex 4 converted photochemically to complex 6. The thermochromic or vapochromic structure conversion of these complexes also occurred in the solid state. On heating at 180 °C, the color of the crystals of complexes 1, 2, and 3 changed from yellow to orange in the solid state. (1)H NMR and/or UV-vis absorption spectroscopy confirmed that the orange complexes 6-8 were produced. The reddish-orange crystals of complexes 4 and 5 were exposed to hydrogen chloride vapor to yield the yellow products of complexes 1 and 2, respectively. PMID:26305775

  5. Electronic state density distributions in TiC-VC and TiC-TiN solid solutions

    International Nuclear Information System (INIS)

    Using the earlier obtained calculation results of the TiC, VC and TiN band structure the state density histograms of the TiCsub(x)Nsub(1-x) and Tisub(x)Vsub(1-x)C solid solutions are constructed. The different character of the state density variation at the Fermi level with different solid solutions of the TiC-VC and TiC-TiN systems is established, and nonapplicability of the ''hard band'' model for description of their physical properties is shown

  6. Neutron diffraction radiation of solid solution of carbon and hydrogen in the α-titanium in the homogeneity domain

    International Nuclear Information System (INIS)

    In the work by the neutron-graph the homogeneity domain of the introduction solid solution TiCx Hy 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 CuKα radiation (λ=0.015418 nm)

  7. Hollow shaped nanofibers with (Ti, Sn)O2 solid-solutions: Synthesis, characterization, and photocatalytic application

    International Nuclear Information System (INIS)

    Highlights: • Novel hollow shaped nanofibers with (Ti, Sn)O2 solid-solutions were synthesized. • Uniformly distributed hollow shaped nanofibers were formed in the optimum weight ratio of the TTIP. • The highest degradation ratio of photocatalysts exhibited more than 3.5 times that of TiO2. - Abstract: Novel hollow shaped nanofibers with (Ti, Sn)O2 solid-solutions have been synthesized for photocatalysts by the impregnation method using tin chloride (SnCl2) and titanium tetraisopropoxide (TTIP), and further characterized by SEM, EDS, TGA, and XRD. The results showed that uniformly distributed hollow shaped nanofibers with (Ti, Sn)O2 solid-solutions was successfully formed in the case of the optimum weight ratio of the Ti precursor. These hollow shaped nanofibers exhibited the higher photocatalytic reactivity by the conversion of methylene blue in aqueous solution under UV irradiation than not only prepared SnO2 but also TiO2 hollow shaped nanofibers. The highest degradation ratio was about 85% at 70 min using hollow shaped nanofibers with (Ti, Sn)O2 solid-solutions photocatalysts, which exhibited more than 3.5 times that of TiO2. It has been found that enhanced MB degradation efficiency is not only due to the charge separation of electron–hole pairs but also increasing the photocatalytic reactive site

  8. Chemical composition and acid-base properties of the surface of GaAs-CdS solid solutions

    International Nuclear Information System (INIS)

    Chemical composition and acid-base properties of the surfaces of GaAs-CdS solid solutions and the constituent binary compounds exposed to air, vacuum, CO, and NH3 were analyzed using mass spectrometry, IR spectrometry, isoelectric-point pH (pHiso) analysis, and mechanochemical methods. Powders and films were prepared from the solid solutions by isothermal diffusion and discrete vacuum evaporation, respectively. XRD and Raman analysis revealed that a solid solution has a sphalerite or wurtzite structure, depending on its composition. The initial surface of all the systems studied exhibited acidic properties: the pH value ranged from 4.9 to 6.45. The surfaces contained Lewis (electron accepting) and Bronsted (adsorbed H2O and CO2 molecules, OH- groups) sites. The acidity of the surface increased upon treatment with CO and decreased upon treatment with NH3. For all types of treatment, the concentration dependence of the acid-base properties of the surface exhibited an extremum. The strongest acidic sites were revealed on the surface of the (GaAs)0.95 (CdS)0.05 solid solution. The adsorption activity of this solution, a promising material for manufacturing gas sensors, was evaluated

  9. Hollow shaped nanofibers with (Ti, Sn)O{sub 2} solid-solutions: Synthesis, characterization, and photocatalytic application

    Energy Technology Data Exchange (ETDEWEB)

    Jung, Jin-Young; Cho, Seho; Lee, Young-Seak, E-mail: youngslee@cnu.ac.kr

    2014-11-25

    Highlights: • Novel hollow shaped nanofibers with (Ti, Sn)O{sub 2} solid-solutions were synthesized. • Uniformly distributed hollow shaped nanofibers were formed in the optimum weight ratio of the TTIP. • The highest degradation ratio of photocatalysts exhibited more than 3.5 times that of TiO{sub 2}. - Abstract: Novel hollow shaped nanofibers with (Ti, Sn)O{sub 2} solid-solutions have been synthesized for photocatalysts by the impregnation method using tin chloride (SnCl{sub 2}) and titanium tetraisopropoxide (TTIP), and further characterized by SEM, EDS, TGA, and XRD. The results showed that uniformly distributed hollow shaped nanofibers with (Ti, Sn)O{sub 2} solid-solutions was successfully formed in the case of the optimum weight ratio of the Ti precursor. These hollow shaped nanofibers exhibited the higher photocatalytic reactivity by the conversion of methylene blue in aqueous solution under UV irradiation than not only prepared SnO{sub 2} but also TiO{sub 2} hollow shaped nanofibers. The highest degradation ratio was about 85% at 70 min using hollow shaped nanofibers with (Ti, Sn)O{sub 2} solid-solutions photocatalysts, which exhibited more than 3.5 times that of TiO{sub 2}. It has been found that enhanced MB degradation efficiency is not only due to the charge separation of electron–hole pairs but also increasing the photocatalytic reactive site.

  10. Thermodynamics of aragonite-strontianite solid solutions: Results from stoichiometric solubility at 25 and 76°C

    Science.gov (United States)

    Plummer, L.N.; Busenberg, E.

    1987-01-01

    Dissolution of synthetic strontianite-aragonite solid solutions was followed analytically to stoichiometric saturation using large solid to solution ratios in CO2-H2O solution at 25 and 76°C. The compositional dependence of the equilibrium constant was calculated from the composition of saturated (stoichiometric) solutions and used to calculate the activities and activity coefficients of CaCO3 and SrCO3 in the solid Ca(1−x)SrxCO3 at 25 and 76°C. The results show that the solid-solution is not regular but unsymmetrical. The excess free energy of mixing is closely modeled for all compositions by the relation where A0 is 8.49 ± 0.30 and 7.71 ± 0.20 KJ/mole and A1 is −4.51 ± 0.20 and −3.36 ± 0.40 KJ/mole at 25 and 76°C, respectively. The equilibrium constant is denned as a function of the SrCO3 mole fraction, x, by the relation where R is the gas constant, T is in Kelvins and KA and KS are the aragonite and strontianite equilibrium constants.

  11. Influence of the pH on the dissolution of TPD and associated solid solutions

    International Nuclear Information System (INIS)

    The dissolution of thorium phosphate diphosphate (TPD) doped or not with trivalent actinides and that of associated solid solutions with tetravalent plutonium was studied from a kinetic point of view as a function of the acidity or the basicity of the leachate. From the evolution of the normalized mass losses, the dissolution rates were determined. For all the solids considered, the values were found between 1.2x10-5 and 4.4x10-9 g m-2 d-1 which confirms the very good durability of TPD to aqueous corrosion. The expression of the dissolution rate was given in acidic and in basic media (10-1-10-4 M HNO3 or HClO4 and 10-1-10-4 M NaOH). The partial orders related to the proton and hydroxide ion concentrations were found to be equal to n=0.31-0.40 and to m=0.37, respectively. The associated dissolution rate constant at pH=0 and pH=14 were found to k298K,0.1M'=1.2x10-5 to 2.4x10-5 g m-2 d-1 and to k298K,0.1M'', (7.8±1.9)x10-5 g m-2 d-1, respectively. In these conditions, the dissolution rate value extrapolated in neutral medium was evaluated to 2.4x10-7 to 3.6x10-7 g m-2 d-1 at room temperature and to 5.0x10-6 to 7.5x10-6 g m-2 d-1 at 90 deg. C which remains very low by comparison to the other ceramics studied for the same applications

  12. Influence of the pH on the dissolution of TPD and associated solid solutions

    Science.gov (United States)

    Robisson, A. C.; Dacheux, N.; Aupiais, J.

    2002-12-01

    The dissolution of thorium phosphate diphosphate (TPD) doped or not with trivalent actinides and that of associated solid solutions with tetravalent plutonium was studied from a kinetic point of view as a function of the acidity or the basicity of the leachate. From the evolution of the normalized mass losses, the dissolution rates were determined. For all the solids considered, the values were found between 1.2×10 -5 and 4.4×10 -9 g m -2 d -1 which confirms the very good durability of TPD to aqueous corrosion. The expression of the dissolution rate was given in acidic and in basic media (10 -1-10 -4 M HNO 3 or HClO 4 and 10 -1-10 -4 M NaOH). The partial orders related to the proton and hydroxide ion concentrations were found to be equal to n=0.31-0.40 and to m=0.37, respectively. The associated dissolution rate constant at pH=0 and pH=14 were found to k 298 K,0.1 M'=1.2×10 -5 to 2.4×10 -5 g m -2 d -1 and to k 298 K,0.1 M″, (7.8±1.9)×10 -5 g m -2 d -1, respectively. In these conditions, the dissolution rate value extrapolated in neutral medium was evaluated to 2.4×10 -7 to 3.6×10 -7 g m -2 d -1 at room temperature and to 5.0×10 -6 to 7.5×10 -6 g m -2 d -1 at 90 °C which remains very low by comparison to the other ceramics studied for the same applications.

  13. Chelation effect on electrical properties of (InSb)1-x(CdTe)x solid solutions

    International Nuclear Information System (INIS)

    Electrophysical measurements of crystals of (InSb)1-x(CdTe)x solid solutions were conducted. It is shown that minimal concentration of electrons and their maximal mobility correspond to compositions with x=0.02-0.03. This is related with formation of electroneutral complexes (CdTe)0. Complexes form 98-99 % of the total amount of cadmium and tellurium atoms, introduced to the solution

  14. Silver Indium Telluride Semiconductors and Their Solid Solutions with Cadmium Indium Telluride: Structure and Physical Properties.

    Science.gov (United States)

    Welzmiller, Simon; Hennersdorf, Felix; Schlegel, Robert; Fitch, Andrew; Wagner, Gerald; Oeckler, Oliver

    2015-06-15

    Ag0.8In2.4Te4 (= AgIn3Te5) and Ag0.5In2.5Te4 (= AgIn5Te8) form solid solutions with CdIn2Te4, which are interesting as materials for photovoltaics or with respect to their thermoelectric properties. The corresponding crystal structures are related to the chalcopyrite type. Rietveld refinements of high-resolution synchrotron powder diffraction data measured at K-absorption edges of Cd, Ag, In, and Te and electron diffraction reveal the symmetry as well as the element and vacancy distribution in Ag0.8In2.4Te4 (= AgIn3Te5)/Ag0.5In2.5Te4 (= AgIn5Te8) mixed crystals such as Ag0.25Cd0.5In2.25Te4 and Ag0.2Cd0.75In2.1Te4. All compounds of the solid solution series (CdIn2Te4)x(Ag0.5In2.5Te4)1-x exhibit the HgCu2I4 structure type (space group I4̅2m) with completely ordered vacancies but disordered cations. The uniform cation distribution and thus the local charge balance are comparable to that of CdIn2Te4. In contrast, Ag0.8In2.4Te4 (= AgIn3Te5) crystallizes in the space group P4̅2c with disordered cations and partially ordered vacancies. This is corroborated by bond-valence sum calculations and the fact that there is a Vegard-like behavior for compounds with 0.5 semiconductors with a low electrical conductivity (∼1 S/m) and rather high absolute Seebeck coefficients (up to -750 μV/mK; 225 °C). Electrical band gaps (Eg) determined from the Seebeck coefficients as well as (more reliably) from the electrical conductivity range between 0.19 and 1.13 eV. PMID:26023890

  15. X-ray absorption near-edge structures of disordered Mg1-xZnxO solid solutions

    International Nuclear Information System (INIS)

    In order to examine x-ray absorption near-edge structures (XANES) of disordered solid solutions of metal oxides, a combined approach of a first principles supercell method and a cluster expansion method is developed. Zn-L3 edge XANES are measured on a series of Mg1-xZnxO with a rocksalt structure in the range of x=0.025-0.3 using synchrotron source. A first principles orthogonalized linear combinations of an atomic orbital method is employed to obtain a theoretical spectrum of a given model. A Zn-2p core hole is included in the calculation, and a set of 128 atom supercells is used. Theoretical XANES of disordered solid solutions are obtained as a weighted sum of theoretical spectra for four ordered structures, with the weighting factors determined by the cluster expansion method. The dependence of the spectral shape on the solute concentration is reproduced only when the averaged environment of solute atoms as determined by the solute concentration and the effect of the disordering is taken into account. The formation of the disordered Mg1-xZnxO solid solution is confirmed by the Monte Carlo calculations

  16. Thermodynamic Destabilization of Ti-O Solid Solution by H2 and Deoxygenation of Ti Using Mg.

    Science.gov (United States)

    Zhang, Ying; Fang, Zhigang Zak; Sun, Pei; Zhang, Tuoyang; Xia, Yang; Zhou, Chengshang; Huang, Zhe

    2016-06-01

    Reactive metals including Ti, Zr, Hf, and V, among others, have a strong chemical affinity to oxygen, which makes them difficult to produce and costly to use. It is especially challenging to produce pure or metal alloy powders of these elements when extremely low oxygen content is required, because they have high solubility for oxygen, and the solid solution of these metals with oxygen is often more stable thermodynamically than their oxides. We report a novel thermochemical approach to destabilize Ti(O) solid solutions using hydrogen, thus enabling deoxygenation of Ti powder using Mg, which has not been possible before because of the thermodynamic stability of Ti(O) solid solutions relative to MgO. The work on Ti serves as an example for other reactive metals. Both analytical modeling and experimental results show that hydrogen can indeed increase the oxygen potential of Ti-O solid solution alloys; in other words, the stability of Ti-O solid solutions is effectively decreased, thus increasing the thermodynamic driving force for Mg to react with oxygen in Ti. Because hydrogen can be easily removed from Ti by a simple heat treatment, it is used only as a temporary alloying element to destabilize the Ti-O systems. The thermodynamic approach described here is a breakthrough and is applicable to a range of different materials. This work is expected to provide an enabling solution to overcome one of the key scientific and technological hurdles to the additive manufacturing of metals, which is emerging rapidly as the future of the manufacturing industry. PMID:27196140

  17. Calculation of radiation effects in solids by direct numerical solution of the adjoint transport equation

    International Nuclear Information System (INIS)

    The 'adjoint transport equation in its integro-differential form' is derived for the radiation damage produced by atoms injected into solids. We reduce it to the one-dimensional form and prepare it for a numerical solution by: --discretizing the continuous variables energy, space and direction, --replacing the partial differential quotients by finite differences and --evaluating the collision integral by a double sum. By a proper manipulation of this double sum the adjoint transport equation turns into a (very large) set of linear equations with tridiagonal matrix which can be solved by a special (simple and fast) algorithm. The solution of this set of linear equations contains complete information on a specified damage type (e.g. the energy deposited in a volume V) in terms of the function D(i,E,c,x) which gives the damage produced by all particles generated in a cascade initiated by a particle of type i starting at x with energy E in direction c. It is essential to remark that one calculation gives the damage function D for the complete ranges of the variables {i,E,c and x} (for numerical reasons of course on grid-points in the {E,c,x}-space). This is most useful to applications where a general source-distribution S(i,E,c,x) of particles is given by the experimental setup (e.g. beam-window and and target in proton accelerator work. The beam-protons along their path through the window--or target material generate recoil atoms by elastic collisions or nuclear reactions. These recoil atoms form the particle source S). The total damage produced then is eventually given by: D = (Σ)i ∫ ∫ ∫ S(i, E, c, x)*D(i, E, c, x)*dE*dc*dx A Fortran-77 program running on a PC-486 was written for the overall procedure and applied to some problems

  18. 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.

  19. Composition dependence of the band gap of CuGasub(x)Insub(1-x)Se2 solid solutions

    International Nuclear Information System (INIS)

    Composition dependence of the band gap (Esub(g)) of CuGasub(x)Insub(1-x)Se2 solid solutions has been studied over the whole composition range (0 -1. The absorption coefficient was calculated using the estimated transmission and reflection. It is shown that Esub(g) changes nonlinearly with composition

  20. Structural and vibrational investigations on Ge{sub 34}Sb{sub 66} solid solutions produced by mechanical alloying

    Energy Technology Data Exchange (ETDEWEB)

    Rebelo, Q.H.F.; Cotta, E.A. [Departamento de Física, Universidade Federal do Amazonas, 69077-000 Manaus, Amazonas (Brazil); Souza, S.M. de, E-mail: s.michielon@gmail.com [Departamento de Física, Universidade Federal do Amazonas, 69077-000 Manaus, Amazonas (Brazil); Trichês, D.M. [Departamento de Física, Universidade Federal do Amazonas, 69077-000 Manaus, Amazonas (Brazil); Machado, K.D. [Departamento de Física, Centro Politécnico, Universidade Federal do Paraná, 81531-990 Curitiba, Paraná (Brazil); Lima, J.C. de; Grandi, T.A. [Departamento de Física, Centro de Ciências Exatas, Universidade Federal de Santa Catarina, 88040-900 Florianópolis, Santa Catarina (Brazil); Poffo, C.M. [Departamento de Eng. Mecânica, Centro de Ciências Tecnológicas, Universidade Federal de Santa Catarina, 88040-900 Florianópolis, Santa Catarina (Brazil); Manzato, L. [Instituto Federal de Educação, Ciência e Tecnologia do Amazonas, 69075-351 Manaus, Amazonas (Brazil)

    2013-10-25

    Highlights: •A Ge{sub 34}Sb{sub 66} solid solution was prepared by mechanical alloying. •X-ray diffraction results indicate complete dissolution of Ge on the Sb matrix. •Raman measurements indicate the presence of nanocrystalline Ge dispersed in the matrix. -- Abstract: A nanostructured solid solution Ge{sub 34}Sb{sub 66} was produced from Ge and Sb by mechanical alloying and its structural and vibrational properties were investigated by X-ray diffraction (XRD) and micro-Raman spectroscopy. The Rietveld refinement of the XRD measurements allowed the investigation of the evolution of the solid solution with the milling time. The Bragg peaks of the Sb solvent phase showed a strongly reflection-indices-dependent line broadening due to the spatial variation of the Sb/Ge ratio. The asymmetric broadening in the deformed peaks was analyzed considering the Stephens model. Volume fractions of crystalline and interfacial components of the milled powder were estimated from the XRD patterns. Although XRD measurements indicated the formation of a solid solution, Raman measurements revealed the presence of nanocrystalline Ge, and its crystallite size was estimated from the Raman analysis.

  1. 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. PMID:26755070

  2. Molten-salt synthesis and composition-dependent luminescent properties of barium tungsto-molybdate-based solid solution phosphors

    Science.gov (United States)

    Xiang-Hong, He; Zhao-Lian, Ye; Ming-Yun, Guan; Ning, Lian; Jian-Hua, Sun

    2016-02-01

    Pr3+-activated barium tungsto-molybdate solid solution phosphor Ba(Mo1-zWz)O4:Pr3+ is successfully fabricated via a facile molten-salt approach. The as-synthesized microcrystal is of truncated octahedron and exhibits deep-red-emitting upon blue light excitation. Powder x-ray diffraction and Raman spectroscopy techniques are utilized to investigate the formation of solid solution phosphor. The luminescence behaviors depend on the resulting composition of the microcrystals with fixed Pr3+-doping concentration, while the host lattices remain in a scheelite structure. The forming solid solution via the substitution of [WO4] for [MoO4] can significantly enhance its luminescence, which may be due to the fact that Ba(Mo1-zWz)O4:Pr3+ owns well-defined facets and uniform morphologies. Owing to its properties of high phase purity, well-defined facets, highly uniform morphologies, exceptional chemical and thermal stabilities, and stronger emission intensity, the resulting solid solution phosphor is expected to find potential applications in phosphor-converted white light-emitting diodes (LEDs). Project supported by the Construction Fund for Science and Technology Innovation Group from Jiangsu University of Technology, China, the Key Laboratory of Atmospheric Environment Monitoring and Pollution Control, China (Grant No. KHK1409), the Priority Academic Program Development of Jiangsu Higher Education Institutions, China, and the National Natural Science Foundation of China (Grant No. 21373103).

  3. Structural and optical properties of PVP-capped nanocrystalline ZnxCd1-xS solid solutions

    Science.gov (United States)

    Askari, Mina; Soltani, Nayereh; Saion, Elias; Yunus, W. Mahmood Mat; Maryam Erfani, H.; Dorostkar, Mahdi

    2015-05-01

    Nanocrystalline ZnxCd1-xS solid solutions were prepared in a microwave-assisted hydrothermal process with gradient distribution of components (x = 0.1, 0.3, 0.5, 0.7, and 0.9). The growth of the cubic-structured quantum dots was observed for all component stoichiometries with the crystallite size between 4.5 and 5.7 nm. The obvious peak shifts have been found in the XRD patterns and the lattice parameters showed linear variation with x increasing. The evolution of the optical properties of obtained solid solutions including absorption and photoemission was also monitored in detail. The solid solutions show a considerable shift in the nanoparticle optical absorption edge from 482 to 343 nm with the increasing of Zn fraction. The band gaps of the solid solutions were estimated to be between 2.94 and 3.40 eV and the position of conduction band was shifted toward more negative potential with x increasing. The photoluminescence spectra showed a broad blue-green emission spreading up to 600 nm with emergence of three dominant peaks belong to sulfur, zinc, and cadmium vacancies.

  4. Formation of a 25 mol% Fe2O3-Al2O3 solid solution prepared by ball milling

    DEFF Research Database (Denmark)

    Jiang, Jianzhong; Mørup, Steen; Linderoth, Søren

    1996-01-01

    The phase transformation process of a 25 mol% Fe2O3-Al2O3 powder mixture during high-energy ball milling has been studied by x-ray diffraction and Mossbauer spectroscopy. A metastable solid solution of 25 mol % Fe2O3 in Al2O3 with corundum structure has successfully been prepared after a milling...

  5. Community Solutions to Solid Waste Pollution. Operation Waste Watch: The New Three Rs for Elementary School. Grade 6. [Second Edition.

    Science.gov (United States)

    Virginia State Dept. of Waste Management, Richmond. Div. of Litter & Recycling.

    This publication, the last in a series of seven for elementary schools, is an environmental education curriculum guide with a focus on waste management issues. It contains a unit of exercises selected for sixth grade students focusing on community solutions to solid waste pollution. Waste management activities included in this unit seek to…

  6. Preparation and Characterization of CeO2-ZrO2 Solid Solution Ultrafine Particles Using Reversed Microemulsion

    Institute of Scientific and Technical Information of China (English)

    An Yuan; Li Li; Wang Jun; Shen Meiqing

    2005-01-01

    Ce0.6Zr0.4O2 solid solution ultrafine particle was prepared in the cyclohexane/water/OP-10/n-hexanol reversed microemulsion. The quasi-ternary phase diagram investigations showed that the system has narrow W/O type microemulison region, so it is the proper system to prepare Ce0.6Zr0.4O2 solid solution ultrafine particle. Some physical-chemical techniques such as TG/DTA, XRD, BET, and HRTEM are used to characterize the resultant powders. The results show that the fluorite cubic Ce0.6Zr0.4O2 solid solution is obtained at 400 ℃. The surface area is (146.7 m2·g-1), which is higher than the surface area for sol-gel prepared sample (59.5 m2·g-1). HRTEM images indicated that the Ce0.6Zr0.4O2 solid solution ultrafine particle is well-crystallized, narrow size distribution, less agglomeration, within mean size of 5~7 nm.

  7. BN-coated Ca1−xSrxS:Eu solid-solution nanowires with tunable red light emission

    International Nuclear Information System (INIS)

    We report on the controlled growth of novel BN-coated Ca1−xSrxS:Eu nanowires via a solid–liquid–solid process. The Ca1−xSrxS solid solution forms as one-dimensional nanowires and has been coated with homogeneous protective BN nanolayers. The structure and luminescence properties of this new nanocomposite have been systematically investigated. High-spatial-resolution cathodoluminescence investigations reveal that effective red color tuning has been achieved by tailoring the composition of the Ca1−xSrxS nanowires. Moreover, codoping of Ce3+ and Eu2+ in the CaS nanowire can induce energy transfer in the matrix and make it possible to obtain enhanced orange color in the nanowires. The BN-coated Ca1−xSrxS:Eu solid-solution nanowires are envisaged to be valuable red-emitting nanophosphors and useful in advanced nanodevices and white LEDs. (paper)

  8. Adsorption and solid phase extraction of 8-hydroxyquinoline from aqueous solutions by using natural bentonite

    International Nuclear Information System (INIS)

    The nitrogen-heterocyclic compound 8-hydroxyquinoline (8HQ) is one of the components of coal tar and has a wide variety of uses in industry. Because of its toxicity for aquatic organisms and harmful effects for human health, the removal of 8HQ from aqueous solutions by adsorption onto natural bentonite was investigated in the present work. The experimental results show that the optimum pH value of 2.5 is favourable for the 8HQ adsorption. The experimental data were fitted well with the pseudo-second-order kinetic and Langmuir adsorption isotherm models at all studied temperatures. The maximum adsorption capacity obtained from the Langmuir isotherm model at 20 deg. C was 120.6 mg g-1. The calculated thermodynamic results such as ΔGo (-24.3 kJ mol-1) and ΔHo (-9.56 kJ mol-1) indicate that the adsorption process is spontaneous and exothermic in nature. Solid phase extraction of 8HQ was also performed. The X-ray diffractometry (XRD), Fourier Transform Infrared (FTIR) and thermogravimetric (TG) analyses were carried out in order to confirm the 8HQ adsorption onto bentonite. According to the obtained results, natural bentonite can be a reusable and effective adsorbent for the removal of 8HQ.

  9. Adsorption mechanisms of removing heavy metals and dyes from aqueous solution using date pits solid adsorbent

    International Nuclear Information System (INIS)

    A potential usefulness of raw date pits as an inexpensive solid adsorbent for methylene blue (MB), copper ion (Cu2+), and cadmium ion (Cd2+) has been demonstrated in this work. This work was conducted to provide fundamental information from the study of equilibrium adsorption isotherms and to investigate the adsorption mechanisms in the adsorption of MB, Cu2+, and Cd2+ onto raw date pits. The fit of two models, namely Langmuir and Freundlich models, to experimental data obtained from the adsorption isotherms was checked. The adsorption capacities of the raw date pits towards MB and both Cu2+ and Cd2+ ions obtained from Langmuir and Freundlich models were found to be 277.8, 35.9, and 39.5 mg g-1, respectively. Surface functional groups on the raw date pits surface substantially influence the adsorption characteristics of MB, Cu2+, and Cd2+ onto the raw date pits. The Fourier transform infrared spectroscopy (FTIR) studies show clear differences in both absorbances and shapes of the bands and in their locations before and after solute adsorption. Two mechanisms were observed for MB adsorption, hydrogen bonding and electrostatic attraction, while other mechanisms were observed for Cu2+ and Cd2+. For Cu2+, binding two cellulose/lignin units together is the predominant mechanism. For Cd2+, the predominant mechanism is by binding itself using two hydroxyl groups in the cellulose/lignin unit.

  10. Solid / solution interaction: The effect of carbonate alkalinity on adsorbed thorium

    Science.gov (United States)

    LaFlamme, Brian D.; Murray, James W.

    1987-02-01

    Elevated activities of dissolved Th have been found in Soap Lake, an alkaline lake in Eastern Washington. Dissolved 232Th ranges from less than 0.001 to 4.9 dpm/L compared to about 1.3 × 10 -5 dpm/ L in sea water. The enhanced activity in the lake coincides with an increase in carbonate alkalinity. Experiments were conducted to evaluate the effect of pH, ionic strength and carbonate alkalinity on Th adsorption on goethite. Thorium (10 -13 M total) in the presence of 5.22 mg/L α-FeOOH and 0.1 M NaNO 3 has an adsorption edge from pH 2-5. At pH 9.0 ± 0.6 the percent Th absorbed on the solid began to decrease from 100% at 100 meq/L carbonate alkalinity and exhibited no adsorption above 300 meq/L. The experimental data were modeled to obtain the intrinsic adsorption equilibrium constants for Th hydrolysis species. These adsorption constants were incorporated in the model to interpret the observed effect of carbonate alkalinity on Th adsorption. There are two main effects of the alkalinity. To a significant degree the decrease in Th adsorption is due to competition of HCO -3 and CO 2-3 ions for surface sites. Dissolved Th carbonate complexes also contribute to the increase of Th in solution.

  11. Transport properties of Ho1- x Lu x B12 solid solutions

    Science.gov (United States)

    Gabáni, S.; Bat'ko, I.; Bat'ková, M.; Flachbart, K.; Gaz̆o, E.; Pristás̆, G.; Takác̆ová, I.; Bogach, A. V.; Sluchanko, N. E.; Shitsevalova, N. Yu.

    2013-05-01

    Our studies of Ho1- x Lu x B12 solid solutions have shown that the temperature of antiferromagnetic (AF) order in geometrically frustrated system of HoB12 ( T N = 7.4 K) is linearly suppressed to zero temperature, i.e. T N → 0, as lutetium concentration increases to x→ x c ≈ 0.9. In this contribution, we present original results of electrical resistivity measurements on Ho1- x Lu x B12 single crystalline samples with x = 0, 0.2, 0.5, 0.7, 0.9, 1 in the temperature range 0.06-300 K and in magnetic fields ( B) up to 8 T. Complex B vs T N phase diagrams were received from precise temperature ρ( T) and field ρ( B) dependences of resistivity with several AF phases for x ≤ 0.5 pointing to a possibility of quantum critical point at x c ≈ 0.9. The scattering of conduction electrons in the AF phase and in the paramagnetic phase as well as Hall effect results are analyzed and discussed for various concentrations x, when magnetic dilution increases with the increasing content of nonmagnetic Lu ions in the Ho1- x Lu x B12 system.

  12. Application of an ion-packing model based on defect clusters to zirconia solid solutions. 2

    International Nuclear Information System (INIS)

    This paper reports that lattice parameter data of cubic phases and cube roots of unit-cell volumes of tetragonal phases in homogeneous ZrO2-containing solid solutions were compiled to examine the validity of Vegard's law. Except for ZrO2--CeO2 and ZrO2--UO2 systems, the data for cubic phases were expressed by the equation d = a,X + B, where d, as, X, and b denote the lattice parameter, a constant depending on dopant species, the dopant content, and a constant independent of dopant species, respectively. For tetragonal phases, the cube roots of unit-cell volumes could be fitted by a similar equation except for the data in the ZrO2--MO2 systems (M = Ge and U). The constant as was calculated using an ion-packing model and was independent of the defect cluster models. The calculated as is close to the experimentally observed one, although the former is slightly smaller than the latter in the ZrO2--MOu systems (u = 1 and 1.5). This difference was ascribed to the lack of consideration of the ionic distortions from the ideal sites of the fluorite-type structure

  13. Advances in adsorption of surfactants and their mixtures at solid/solution interfaces.

    Science.gov (United States)

    Zhang, Rui; Somasundaran, P

    2006-11-16

    Surfactants and their mixtures can drastically change the interfacial properties and hence are used in many industrial processes such as dispersion/flocculation, flotation, emulsification, corrosion inhibition, cosmetics, drug delivery, chemical mechanical polishing, enhanced oil recovery, and nanolithography. A review of studies on adsorption of single surfactant as well as mixtures of various types (anionic-cationic, anionic-nonionic, cationic-nonionic, cationic-zwitterionic and nonionic-nonionic) is presented here along with mechanisms involved. Results obtained using techniques such as zeta potential, flotation, AFM, specular neutron reflectivity, small angle neutron scattering, fluorescence, ESR, Raman spectroscopy, ellipsometry, HPLC and ATR-IR are reviewed along with those from traditional techniques to elucidate the mechanisms of adsorption and particularly to understand synergistic/antagonistic interactions at solution/liquid interfaces and nanostructures of surface aggregates. In addition, adsorption of several mixed surfactant systems is considered due to their industrial relevance. Finally an attempt is made to derive structure-property relationships to provide a solid foundation for the design and use of surfactant formulations for industrial applications. PMID:17052678

  14. Low-temperature internal friction peaks in cold-worked Al-Cu solid solutions

    International Nuclear Information System (INIS)

    The low-temperature composite internal friction peak previously observed in cold-worked Al-Cu solid solutions is now distinctly resolved into two separate peaks. Effect of copper content and annealing on these two peaks (the relaxation peak R and the phase transformation peak P) is studied. The R peak exhibits a pronounced amplitude effect but the Arrhenius relationship still holds giving a linear correlation factor 0.99. The activation energy associated with the R peak in Al-0.29 wt% Cu is found to be (0.61 ± 0.10) eV with τ0 = 2x10-14s. A complementary behaviour is found between the R peak and the room temperature peak (P1 peak): one rises while the other sinks. This gives a strong support to the proposition that the R peak and P1 peak are associated with the stress induced migration of copper atom-vacancy pairs and of copper atoms in the stress field of moving dislocations (kinks), respectively. (orig.)

  15. Stacking fault energy measurements in solid solution strengthened Ni-Cr-Fe alloys using synchrotron radiation

    Energy Technology Data Exchange (ETDEWEB)

    Unfried-Silgado, Jimy [Metals Characterization and Processing Laboratory, Brazilian Nanothecnology National Laboratory - CNPEM/ABTLuS, Caixa Postal 6192, CEP 13083-970, Campinas, Sao Paulo (Brazil); Universidade Estadual de Campinas UNICAMP, Faculdade de Engenharia Mecanica FEM, Campinas (Brazil); Universidad Autonoma del Caribe, Grupo IMTEF, Ingenieria Mecanica, Barranquilla (Colombia); Wu, Leonardo [Metals Characterization and Processing Laboratory, Brazilian Nanothecnology National Laboratory - CNPEM/ABTLuS, Caixa Postal 6192, CEP 13083-970, Campinas, Sao Paulo (Brazil); Furlan Ferreira, Fabio [Universidade Federal do ABC, Centro de Ciencias Naturais e Humanas (CCNH), Sao Paulo (Brazil); Mario Garzon, Carlos [Universidad Nacional de Colombia, Departamento de Fisica, Bogota (Colombia); Ramirez, Antonio J, E-mail: antonio.ramirez@lnnano.org.br [Metals Characterization and Processing Laboratory, Brazilian Nanothecnology National Laboratory - CNPEM/ABTLuS, Caixa Postal 6192, CEP 13083-970, Campinas, Sao Paulo (Brazil)

    2012-12-15

    The stacking fault energy (SFE) in a set of experimental Ni-Cr-Fe alloys was determined using line profile analysis on synchrotron X-ray diffraction measurements. The methodology used here is supported by the Warren-Averbach calculations and the relationships among the stacking fault probability ({alpha}) and the mean-square microstrain (<{epsilon}{sup 2}{sub L}>). These parameters were obtained experimentally from cold-worked and annealed specimens extracted from the set of studied Ni-alloys. The obtained results show that the SFE in these alloys is strongly influenced by the kind and quantity of addition elements. Different effects due to the action of carbide-forming elements and the solid solution hardening elements on the SFE are discussed here. The simultaneous addition of Nb, Hf, and, Mo, in the studied Ni-Cr-Fe alloys have generated the stronger decreasing of the SFE. The relationships between SFE and the contributions on electronic structure from each element of additions were established.

  16. Evolution of Quantum Critical Behavior In A Concentrated Ternary Solid Solution: NiCoCrx

    Science.gov (United States)

    Sales, Brian; Jin, Ke; Bei, Hongbin; Stocks, Malcolm; Samolyuk, German; May, Andrew; McGuire, Michael

    The face centered cubic (fcc) alloy NiCoCrx with x near 1 is found to be close to the Cr concentration where the ferromagnetic transition temperature, Tc goes to 0. Near this composition these alloys exhibit a resistivity linear in temperature to 2 K, a perfectly linear magnetoresistance, and an excess -TlnT contribution to the low temperature heat capacity. As the Cr concentration is decreased from 1, the Curie temperature and the saturation magnetization, M0, both increase exponentially with x. For x = 0.5, Tc ~ 217 K, but M0 is only 0.26 Bohr magnetons/atom, indicating highly itinerant ferromagnets for 0.5 thermodynamic properties of the alloys with compositions near x =1 are not typical of a Fermi liquid and suggest strong magnetic fluctuations associated with a quantum critical region. This new class of concentrated solid solution fcc alloys are ideal model systems to study the effects of chemical disorder on emergent properties near a quantum critical point. Research supported by the DOE Office of Science, Materials Science and Engineering Division, and the Energy Dissipation to Defect Evolution EFRC.

  17. Iridium-Tin oxide solid-solution nanocatalysts with enhanced activity and stability for oxygen evolution

    Science.gov (United States)

    Li, Guangfu; Yu, Hongmei; Yang, Donglei; Chi, Jun; Wang, Xunying; Sun, Shucheng; Shao, Zhigang; Yi, Baolian

    2016-09-01

    Addressing major challenges from the material cost, efficiency and stability, it is highly desirable to develop high-performance catalysts for oxygen evolution reaction (OER). Herein we explore a facile surfactant-assisted approach for fabricating Irsbnd Sn (Ir/Sn = 0.6/0.4, by mol.) nano-oxide catalysts with good morphology control. Direct proofs from XRD and X-ray photoelectron spectra indicate hydrophilic triblock polymer (TBP, like Pluronic® F108) surfactant can boost the formation of stable solid-solution structure. With the TBP hydrophilic and block-length increase, the fabricated Irsbnd Sn oxides undergoing the rod-to-sphere transition obtain the relatively lower crystallization, decreased crystallite size, Ir-enriched surface and incremental available active sites, all of which can bolster the OER activity and stability. Meanwhile, it is observed that the coupled Ir oxidative etching takes a crucial role in determining the material structure and performance. Compared with commercial Ir black, half-cell tests confirm F108-assistant catalysts with over 40 wt% Ir loading reduction show 2-fold activity enhancement as well as significant stability improvement. The lowest cell voltage using 0.88 mg cm-2 Ir loading is only 1.621 V at 1000 mA cm-2 and 80 °C with a concomitant energy efficiency of 75.8% which is beyond the DOE 2017 efficiency target of 74%.

  18. Adsorption and solid phase extraction of 8-hydroxyquinoline from aqueous solutions by using natural bentonite

    Science.gov (United States)

    Erdem, Bilge; Özcan, Adnan; Özcan, A. Safa

    2010-06-01

    The nitrogen-heterocyclic compound 8-hydroxyquinoline (8HQ) is one of the components of coal tar and has a wide variety of uses in industry. Because of its toxicity for aquatic organisms and harmful effects for human health, the removal of 8HQ from aqueous solutions by adsorption onto natural bentonite was investigated in the present work. The experimental results show that the optimum pH value of 2.5 is favourable for the 8HQ adsorption. The experimental data were fitted well with the pseudo-second-order kinetic and Langmuir adsorption isotherm models at all studied temperatures. The maximum adsorption capacity obtained from the Langmuir isotherm model at 20 °C was 120.6 mg g -1. The calculated thermodynamic results such as Δ G° (-24.3 kJ mol -1) and Δ H° (-9.56 kJ mol -1) indicate that the adsorption process is spontaneous and exothermic in nature. Solid phase extraction of 8HQ was also performed. The X-ray diffractometry (XRD), Fourier Transform Infrared (FTIR) and thermogravimetric (TG) analyses were carried out in order to confirm the 8HQ adsorption onto bentonite. According to the obtained results, natural bentonite can be a reusable and effective adsorbent for the removal of 8HQ.

  19. Experimental measurement of local displacement and chemical pair correlations in crystalline solid solutions

    Energy Technology Data Exchange (ETDEWEB)

    Sparks, C.L.; Ice, G.E.; Robertson, J.L. [Oak Ridge National Lab., TN (United States); Shaffer, L.B. [Anderson Univ., Anderson, IN (United States)

    1993-10-01

    Measurement of near-neighbor atomic arrangements in crystalline solid solutions is well established and provides meaningful values for chemical preference of atoms for their near neighbors to beyond the first ten neighboring shells. Static displacements (atomic size) between these atom pairs have mostly been either ignored in the recovery of the local pair preferences or removed by making use of the displacement scattering dependence on momentum transfer. With intense and energy tunable x-ray synchrotron sources, our ability to recover these static displacements between atoms has greatly improved. Data taken with multiple x-ray energies to obtain the contrast necessary to separate like from unlike neighbor pair distances are discussed for the two cases studied to date: A locally ordered Ni{sub 77.5}Fe{sub 22.5} crystal and a locally clustered Fe{sub 53}Cr{sub 47} crystal. Analysis of experimental parameters and data gives the systematic and statistical errors on the recovered parameters. Meaningful atomic displacements from the mean lattice can be measured and recovered. These displacements help us understand material properties and will provide theorists with tests for their calculations.

  20. Understanding the defect chemistry of alkali metal strontium silicate solid solutions: insights from experiment and theory

    KAUST Repository

    Bayliss, Ryan D.

    2014-09-24

    © the Partner Organisations 2014. Recent reports of remarkably high oxide ion conduction in a new family of strontium silicates have been challenged. It has recently been demonstrated that, in the nominally potassium substituted strontium germanium silicate material, the dominant charge carrier was not the oxygen ion, and furthermore that the material was not single phase (R. D. Bayliss et. al., Energy Environ. Sci., 2014, DOI: 10.1039/c4ee00734d). In this work we re-investigate the sodium-doped strontium silicate material that was reported to exhibit the highest oxide ion conductivity in the solid solution, nominally Sr0.55Na0.45SiO2.775. The results show lower levels of total conductivity than previously reported and sub-micron elemental mapping demonstrates, in a similar manner to that reported for the Sr0.8K0.2Si0.5Ge0.5O2.9 composition, an inhomogeneous chemical distribution correlating with a multiphase material. It is also shown that the conductivity is not related to protonic mobility. A density functional theory computational approach provides a theoretical justification for these new results, related to the high energetic costs associated with oxygen vacancy formation. This journal is

  1. Carbonation of municipal solid waste incineration electrostatic precipitator fly ashes in solution.

    Science.gov (United States)

    De Boom, Aurore; Aubert, Jean-Emmanuel; Degrez, Marc

    2014-05-01

    Carbonation was applied to a Pb- and Zn-contaminated fraction of municipal solid waste incineration electrofilter fly ashes in order to reduce heavy metal leaching. Carbonation tests were performed in solution, by Na2CO3 addition or CO2 bubbling, and were compared with washing (with water only). The injection of CO2 during the washing did not modify the mineralogy, but the addition of Na2CO3 induced the reaction with anhydrite, forming calcite. Microprobe analyses showed that Pb and Zn contamination was rather diffuse and that the various treatments had no effect on Pb and Zn speciation in the residues. The leaching tests indicated that carbonation using Na2CO3 was successful because it gave a residue that could be considered as non-hazardous material. With CO2 bubbling, Pb and Zn leaching was strongly decreased compared with material washed with water alone, but the amount of chromium extracted became higher than the non-hazardous waste limits for landfilling. PMID:24718362

  2. Cerium valence change in the solid solutions Ce(Rh1-xRux)Sn

    International Nuclear Information System (INIS)

    The solid solutions Ce(Rh1-xRux)Sn were investigated by means of susceptibility measurements, specific heat, electrical resistivity, X-ray absorption spectroscopy (XAS), and 119Sn Moessbauer spectroscopy. Magnetic measurements as well as XAS data show a cerium valence change in dependence on the ruthenium content. Higher ruthenium content causes an increase from 3.22 to 3.45 at 300 K. Furthermore χ and χ-1 data indicate valence fluctuation for cerium as a function of temperature. For example, Ce(Rh0.8Ru0.2)Sn exhibits valence fluctuations between 3.42 and 3.32 in the temperature range of 10 to 300 K. This could be proven by using the interconfiguration fluctuation (ICF) model introduced by Sales and Wohlleben. Cerium valence change does not influence the tin atoms as proven by 119Sn Moessbauer spectroscopy, but it influences the electrical properties. Ce(Rh0.9Ru0.1)Sn behaves like a typical valence fluctuating compound, and higher ruthenium content causes an increase of the metallic behavior. (orig.)

  3. Crystal structure and phase relationships in the reduced-reoxidized ceria-zirconia solid solution

    International Nuclear Information System (INIS)

    The crystal structures of reduced-reoxidized ceria-zirconia solid solutions, Ce2Zr2O7+x, with an ordered arrangement of Ce and Zr ions were studied by transmission electron microscopy (TEM), X-ray powder diffraction and thermogravimetric analysis. The oxygen absorption of Ce2Zr2O7 with pyrochlore structure (space group Fd anti 3m) was revealed to proceed through two-step reaction; reaction from Ce2Zr2O7 to β-Ce2Zr2O7.5 around 400 K and reaction from β-Ce2Zr2O7.5 to Ce2Zr2O8 about 600 K. β-Ce2Zr2O7.5 phase with space group F anti 43m was thought to be formed by occupation of the half ordered oxygen vacancies with oxygen ions periodically. The oxidation from Ce2Zr2O7 to β-Ce2Zr2O7.5 was also occurred at room temperature by keeping for about 1 year or by irradiation of an electron beam in TEM. On the other hand, the crystal structure of Ce2Zr2O8, completely oxidized state of Ce2Zr2O7, belongs to the space group of P anti 43m or P23 from the rule for possible diffractions and the symmetry of the ordering cations. (orig.)

  4. Vector magnetisation measurements on thermally evaporated CoCr multilayers and solid solutions for spintronic applications

    International Nuclear Information System (INIS)

    Structure, morphology and magnetic properties of thermally evaporated Co/Cr multilayers and of the solid solution obtained by isothermal treatment of the layered samples have been studied to evaluate their potential application as high-coercivity materials for hard spin injectors in spintronic devices such as magnetic tunneling junctions. The thermal treatment was performed in a partial pressure of inert gas to allow interdiffusion of Cr and Co. Structure and composition of the materials, as well as the effects of the annealing treatment, have been investigated by field emission scanning electron microscopy and energy-dispersive X-ray analysis. The magnetic configuration of these films was investigated by magnetic force microscopy. Simultaneous measurements of two mutually perpendicular magnetisation components were performed by means of a vector vibrating sample magnetometer, and showed that the in-plane coercivity can be increased by proper thermal treatment from less than 10 Oe to about 240 Oe. However, annealing may result in a loss of compositional and morphologic homogeneity of the films.

  5. Bioadsorption of a reactive dye from aqueous solution by municipal solid waste

    Directory of Open Access Journals (Sweden)

    Abdelkader Berrazoum

    2015-09-01

    Full Text Available The biosorbent was obtained from municipal solid waste (MSW of the Mostaganem city. Before use the MSW was dried in air for three days and washed several times. The sorption of yellow procion reactive dye MX-3R onto biomass from aqueous solution was investigated as function of pH, contact time and temperature. The adsorption capacity of MX-3R was 45.84 mg/g at pH 2–3 and room temperature. MX-3R adsorption decreases with increasing temperature. The Langmuir, Freundlich and Langmuir–Freundlich adsorption models were applied to describe the related isotherms. Langmuir–Freundlich equation has shown the best fitting with the experimental data. The pseudo first-order, pseudo second-order and intra-particle diffusion kinetic models were used to describe the kinetic sorption. The results clearly showed that the adsorption of MX-3R onto biosorbent followed the pseudo second-order model. The enthalpy (ΔH°, entropy (ΔS° and Gibbs free energy (ΔG° changes of adsorption were calculated. The results indicated that the adsorption of MX-3R occurs spontaneously as an exothermic process.

  6. Determination of boron in aqueous solutions by solid state nuclear track detectors technique, using a filtered neutron beam

    International Nuclear Information System (INIS)

    The solid state nuclear track detectors technique has been used for determination of boron in aqueous solutions, using a filtered neutron beam. The particles tracks from the 10B(n,α)Li7 reaction were registered in the CR-39 film, chemically etched in a (30%) KOH solution 700C during 90 minutes. The obtained results showed the usefulness of this technique for boron determination in the ppm range. The inferior detectable limit was 9 ppm. The combined track registration efficiency factor K has been evaluated in the solutions, for the CR-39 detector and its values is K= (4,60 -+ 0,06). 10 -4 cm. (Author)

  7. Correlated analysis of chemical variations with spectroscopic features of the K-Na jarosite solid solutions relevant to Mars

    Science.gov (United States)

    Ling, Zongcheng; Cao, Fengke; Ni, Yuheng; Wu, Zhongchen; Zhang, Jiang; Li, Bo

    2016-06-01

    Detailed chemical, structural and spectroscopic properties of jarosite solid solution minerals are key information for their potential discoveries by future remote sensing and in-situ detections on Mars. We successfully synthesized seven homogeneous K-Na jarosite solid solutions under hydrothermal conditions at 140 °C, whose phase identifications and chemical compositions are confirmed by X-ray diffraction (XRD) and inductively coupled plasma mass spectrometry (ICP-MS). The chemical ratios of K/(K+Na) in jarosite solid solutions lead to systematic shifts of their characteristic Raman peaks ν1 (SO4)2- (from 1006 to 1011.3 cm-1), ν3 (SO4)2- (from 1100.6 to 1111.2 cm-1), ν2 (SO4)2- (from 434.2 to 444.8 cm-1) with the increase of Na content. While the OH stretching mode decreases with even larger peak position variations (e.g., ∼3410 cm-1 peak shifts from 3410.5 to 3385.7 cm-1) as the K-Na jarosite solid solutions are enriched in Na content. Raman spectroscopic measurements of the seven K-Na jarosite solid solutions enabled us to build a calibration that uses Raman peak positions to estimate K-Na variation in jarosite, which is the key step for their possible applications in the future Raman applications on Mars' missions (e.g., ExoMars and Mars 2020 missions). The band assignments and compositional related variations of their XRD, near-infrared (NIR) and mid-infrared (MIR) spectra also provide informative clues for identifying the jarosite minerals and inferring their composition during martian in-situ and remote sensing measurements.

  8. Solid solution trends that impact electrical design of submicron layers in dielectric capacitors

    Science.gov (United States)

    Levi, Roni D.

    It is predictable that future thin layer multilayer dielectrics and thin films embedded capacitors will require higher field and higher reliability performance. This thesis explores the fundamental factors that would limit the high field and reliability performance in thin layer dielectrics based on BaTiO3. Those factors have different origins: On one side, the nature of the metal-dielectric interface was shown to affect the high field dielectric properties of capacitive structures. In addition to that, the intrinsic bulk properties of BaTiO3 based solid solutions affect the high field properties of thin dielectric layers depending on composition and annealing conditions. Both effects were investigated in this study. The temperature dependence of the electrical leakage current density of chemical solution deposited BaTiO3 films on high purity Ni foils was investigated as function of the underlying Ni microstructure. The electrical properties were then characterized on capacitors with and without the presence of Ni grain boundaries. When a Ni grain boundary from the substrate was present in the capacitor used during the electrical measurements, the loss tangent of the capacitor rose rapidly for dc biases exceeding ˜25kV/cm. The critical bias increases to ˜100kV/cm when no substrate grain boundaries are included in the capacitor. In addition, the capacitance-voltage curves are much more symmetric when grain boundaries are absent. This disparity in the electrical behavior was analyzed in terms of the mechanisms of charge conduction across the Ni-dielectric interface. While a reverse biased Schottky emission mechanism dominates the current in areas free of Ni grain boundaries, the Schottky barrier at the cathode is less effective when Ni grain boundaries are present due to local enhancement of the electric field. This, leads to a larger leakage current dominated by the forward biased Schottky barrier at the anode. In addition to the interface influence, the

  9. Solid solution softening at high strain rates in Si- and/or Mn-added interstitial free steels

    International Nuclear Information System (INIS)

    In order to understand the high strain rate properties of high strength steel sheets, stress-strain relations of Fe, Fe-Mn and Fe-Si at high strain rates were investigated. The addition of Mn and Si caused both solid solution hardening at lower strain rates and a decrease of strain rate sensitivity of the flow stress. In addition, the ductility at high strain rates was improved by the addition of solute atoms, an effect which can be related to the decrease in the strain rate sensitivity of the flow stress. Thermal activation analysis revealed that the Peierls-Nabarro mechanism controls the strain rate sensitivity of these steels. The effects of solid solution were discussed based on the theories proposed to explain alloy softening at low temperatures

  10. Simple thermodynamic model of the extension of solid solution of Cu-Mo alloys processed by mechanical alloying

    International Nuclear Information System (INIS)

    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.

  11. Simple thermodynamic model of the extension of solid solution of Cu-Mo alloys processed by mechanical alloying

    Energy Technology Data Exchange (ETDEWEB)

    Aguilar, C., E-mail: claudio.aguilar@usm.cl [Departamento de Ingenieria Metalurgica y de Materiales, Universidad Tecnica Federico Santa Maria, Avenida Espana 1680, Valparaiso (Chile); Guzman, D. [Departamento de Metalurgia, Facultad de Ingenieria, Universidad de Atacama, Av. Copayapu 485, Copiapo (Chile); Rojas, P.A. [Escuela de Ingenieria Mecanica, Facultad de Ingenieria, Pontificia Universidad Catolica de Valparaiso, Av. Los Carrera 01567, Quilpue (Chile); Ordonez, Stella [Departamento de Ingenieria Metalurgica, Facultad de Ingenieria, Universidad de Santiago de Chile, Av. L. Bernardo O' Higgins 3363, Santiago (Chile); Rios, R. [Instituto de Materiales y Procesos Termomecanicos, Facultad de Ciencias de la Ingenieria, Universidad Austral de Chile, General Lagos 2086, Valdivia (Chile)

    2011-08-15

    Highlights: {yields} Extension of solid solution in Cu-Mo systems achieved by mechanical alloying. {yields} Simple thermodynamic model to explain extension of solid solution of Mo in Cu. {yields} 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.

  12. The acid-base and catalytic properties of the surface of ZnSe-CdSe solid solutions

    International Nuclear Information System (INIS)

    Acid-base properties of the surface of slid solutions ZnxCd1-xSe and initial binary semiconductor compounds (ZnSe, CdSe) were studied by the method of probe molecules on acid and base centers. Nature of the acid-base centers was ascertained, their strength and quantitative content on the system samples of different composition were evaluated. Acid-base properties were compared with catalytic ones in reference to propanol-2 decomposition. Similarity and difference in acid-base and catalytic properties of the surface of binary semiconductors and solid solutions were pointed out. Specific features of the solid solutions were detected, which are largely pronounced in the course of ascertaining the property-composition dependence

  13. Prediction of Solid-Liquid Equilibrium for KCl in Mixed Water-Ethanol Solutions Using the LIQUAC Model

    Institute of Scientific and Technical Information of China (English)

    LIN Yangzheng; LI Jiding; ZENG Chuyi; CHEN Cuixian

    2005-01-01

    The LIQUAC model is often used to predict vapor-liquid equilibria, osmotic coefficients, and mean ion activity coefficients for electrolyte systems. This paper describes a thermodynamic method to analyze solid-liquid equilibrium for electrolytes in mixed solvents solutions using the LIQUAC model. The KCl solubilities in mixed water-ethanol solutions are predicted with the LIQUAC model and its original interaction parameters. This method is also used to obtain new K+-ethanol interaction parameters in the LIQUAC model from the solubility data. The new interaction parameters accurately predict the vapor-liquid equilibrium data of K+ salts (including KCl, KBr, and KCOOCH3) in mixed water-ethanol solutions. The results illustrate the flexibility of the LIQUAC model which can predict not only vapor-liquid equilibrium but also solid-liquid equilibrium in mixed solvent systems.

  14. Phase-field modeling of two-dimensional solute precipitation/dissolution: Solid fingers and diffusion-limited precipitation

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Zhijie; Meakin, Paul

    2011-01-28

    Two-dimensional dendritic growth due to solute precipitation was simulated using a phase-field model reported earlier [Z. Xu and P. Meakin, J. Chem. Phys. 129, 014705 (2008)]. It was shown that diffusion-limited precipitation due to the chemical reaction at the solid-liquid interface posses similarities with diffusion-limited aggregation (DLA). The diffusion-limited precipitation is attained by setting the chemical reaction rate much larger compared to the solute diffusion to eliminate the effect of the interface growth kinetics. The phase-field simulation results were in reasonable agreement with the analytical solutions. The fractal solid fingers can be formed in the diffusion-limited precipitation and have a fractal dimension measured , close to 1.64, the fractal dimensionality of large square lattice diffusion-limited aggregation (DLA) clusters.

  15. Phase-field modeling of two-dimensional solute precipitation∕dissolution: solid fingers and diffusion-limited precipitation.

    Science.gov (United States)

    Xu, Zhijie; Meakin, Paul

    2011-01-28

    Two-dimensional dendritic growth due to solute precipitation was simulated using a phase-field model reported earlier [Z. Xu and P. Meakin, J. Chem. Phys. 129, 014705 (2008)]. It was shown that diffusion-limited precipitation due to the chemical reaction at the solid-liquid interface has similarities with diffusion-limited aggregation (DLA). The diffusion-limited precipitation is attained by setting the chemical reaction rate much larger compared to the solute diffusion to eliminate the effect of the interface growth kinetics. The phase-field simulation results were in reasonable agreement with the analytical solutions. The fractal solid fingers can be formed in the diffusion-limited precipitation and have a fractal dimension measured d(f)=1.68, close to 1.64, the fractal dimensionality of large square lattice DLA clusters. PMID:21280717

  16. Phase-field modeling of two-dimensional solute precipitation/dissolution: Solid fingers and diffusion-limited precipitation

    Science.gov (United States)

    Xu, Zhijie; Meakin, Paul

    2011-01-01

    Two-dimensional dendritic growth due to solute precipitation was simulated using a phase-field model reported earlier [Z. Xu and P. Meakin, J. Chem. Phys. 129, 014705 (2008)]. It was shown that diffusion-limited precipitation due to the chemical reaction at the solid-liquid interface has similarities with diffusion-limited aggregation (DLA). The diffusion-limited precipitation is attained by setting the chemical reaction rate much larger compared to the solute diffusion to eliminate the effect of the interface growth kinetics. The phase-field simulation results were in reasonable agreement with the analytical solutions. The fractal solid fingers can be formed in the diffusion-limited precipitation and have a fractal dimension measured d_f = 1.68, close to 1.64, the fractal dimensionality of large square lattice DLA clusters.

  17. Crystal Violet Lactone Salicylaldehyde Hydrazone Zn(II) Complex: a Reversible Photochromic Material both in Solution and in Solid Matrix

    Science.gov (United States)

    Li, Kai; Li, Yuanyuan; Tao, Jing; Liu, Lu; Wang, Lili; Hou, Hongwei; Tong, Aijun

    2015-09-01

    Crystal violet lactone (CVL) is a classic halochromic dye which has been widely used as chromogenic reagent in thermochromic and piezochromic systems. In this work, a very first example of CVL-based reversible photochromic compound was developed, which showed distinct color change upon UV-visible light irradiation both in solution and in solid matrix. Moreover, metal complex of CVL salicylaldehyde hydrozone was facilely synthesized, exhibiting reversible photochromic properties with good fatigue resistance. It was served as promising solid material for photo-patterning.

  18. Structural and magnetic phase transitions in MnTe–MnSe solid solutions

    Energy Technology Data Exchange (ETDEWEB)

    Ingle, Kapil E.; Efrem D' Sa, J.B.C. [Department of Physics, Goa University, Goa 403 206 (India); Das, A. [Solid State Physics Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India); Priolkar, K.R., E-mail: krp@unigoa.ac.in [Department of Physics, Goa University, Goa 403 206 (India)

    2013-12-15

    Neutron diffraction studies as a function of temperature on solid solutions of MnSe and MnTe in the Se rich region are presented. Interestingly as Te is doped in MnSe, the structural transformation to NiAs phase diminishes, both in terms of % fraction of compound as well as in terms of transition temperature. In MnTe{sub 0.3}Se{sub 0.7}, the NaCl to NiAs phase transformation occurs at about 40 K and although it is present at room temperature in MnTe{sub 0.5}Se{sub 0.5}, its volume fraction is only about 10% of the total volume of sample. The magnetic ordering temperature of the cubic phase decreases with increasing Te content while the hexagonal phase orders at the same temperature as in MnSe. Anomalies in thermal evolution of lattice parameters at magnetic ordering as well as structural transition temperatures indicate the presence of magnetostructural coupling in these compounds. - Highlights: • Crystal and magnetic structure of Se rich MnTe{sub x}Se{sub 1−x} have been studied using neutron diffraction. • The sample with x=0.5 is close to room temperature structural phase transition boundary between NaCl type cubic to NiAs type hexagonal phase. • NiAs phase is absent in MnTe{sub 0.3}Se{sub 0.7} at higher temperatures and only appears at temperatures below 40 K. • A unique relationship exists between the lattice parameters of the cubic NaCl and hexagonal NiAs phases which is responsible for the absence of NiAs phase at higher temperatures.

  19. Structural and magnetic phase transitions in MnTe–MnSe solid solutions

    International Nuclear Information System (INIS)

    Neutron diffraction studies as a function of temperature on solid solutions of MnSe and MnTe in the Se rich region are presented. Interestingly as Te is doped in MnSe, the structural transformation to NiAs phase diminishes, both in terms of % fraction of compound as well as in terms of transition temperature. In MnTe0.3Se0.7, the NaCl to NiAs phase transformation occurs at about 40 K and although it is present at room temperature in MnTe0.5Se0.5, its volume fraction is only about 10% of the total volume of sample. The magnetic ordering temperature of the cubic phase decreases with increasing Te content while the hexagonal phase orders at the same temperature as in MnSe. Anomalies in thermal evolution of lattice parameters at magnetic ordering as well as structural transition temperatures indicate the presence of magnetostructural coupling in these compounds. - Highlights: • Crystal and magnetic structure of Se rich MnTexSe1−x have been studied using neutron diffraction. • The sample with x=0.5 is close to room temperature structural phase transition boundary between NaCl type cubic to NiAs type hexagonal phase. • NiAs phase is absent in MnTe0.3Se0.7 at higher temperatures and only appears at temperatures below 40 K. • A unique relationship exists between the lattice parameters of the cubic NaCl and hexagonal NiAs phases which is responsible for the absence of NiAs phase at higher temperatures

  20. Calculation of thermodynamic equilibrium between bcc disordered solid solutions U and Mo

    International Nuclear Information System (INIS)

    There is actually an interest to develop a new fuel with higher density for research reactors. Fuel plates would be obtained by dispersion, a method that requires both a very dense fuel dispersant (>15.0 g U/cm3 ) and a very high volume loading of the dispersant (>55%). Dispersants based in gamma (BCC) stabilized uranium alloys are being investigated, as they are able to reach uranium densities of 17.0 g U/cm3. Among them, we focus in U(Mo) bcc solid solutions with the addition of ternary elements to stabilize gamma phase. Transition metals, 4d and 5d, of groups VII and VIII are good candidates for the ternary alloy U - Mo - X. Their relative power to stabilize gamma phase seems to be in close relation with bonding energies between atoms in the alloy. A first approach to the calculation of these energies has been performed by the semi empiric method of Miedema where only bonds between pairs are considered, neglecting ternary and quaternary bonds. There is also a lack of information concerning solubilities of the ternary elements in the ternary cubic phase. In this work we aim to calculate bonding energies between atoms in the alloy using a cluster expansion of the formation energy (T=0 K) of a series of bcc ordered compounds in the systems U-Mo-X. Then the calculation of the equilibrium phase diagram by the Cluster Variation Method will be done (CVM). We show here the first part of the investigation devoted to calculation of phases equilibria in the U Mo system Formation energies of the ordered compounds were obtained by the first principles methods TB-LMTO-ASA and FP-LAPW. Another set of bonding energies was calculated in order to fit the known experimental diagram and new formation energies for the ordered compounds were derived from them. Discrepancies between both sets are discussed. (author)

  1. Structure and magnetism of the {beta}-Mn-Co solid-solution phase

    Energy Technology Data Exchange (ETDEWEB)

    Karlsen, O.B. [Department of Physics, University of Oslo, P.O. Box 1048, Blindern, N0316 Oslo (Norway); Kjekshus, A. [Centre for Materials Science and Nanotechnology and Department of Chemistry, University of Oslo, P.O. Box 1033, Blindern, N-0315 Oslo (Norway)], E-mail: arne.kjekshus@kjemi.uio.no; Fjellvag, H.; Ravindran, P.; Vidya, R. [Centre for Materials Science and Nanotechnology and Department of Chemistry, University of Oslo, P.O. Box 1033, Blindern, N-0315 Oslo (Norway); Hauback, B.C. [Institute for Energy Technology, N-2007 Kjeller (Norway)

    2009-05-12

    The crystal structure of the {beta}-Mn{sub 1-t}Co{sub t} solid-solution phase (0 {<=} t {<=} 0.40) has been studied with powder neutron (10 and 298 K) and single-crystal X-ray (150 K) diffraction methods. The lattice-constant (a) isotherms at 10, 150, and 298 K go through flat maxima between t = 0.10 and 0.25. Up to t = 0.25 all Co is found to substitute at the T1 (T1 = Mn and/or Co) site of the {beta}-Mn crystal structure (position 8c of space group P4{sub 1}32) whereas for t = 0.40 also the T2 site (position 12d) is partly occupied by Co (some 0.2 Mn + 0.8 Co occupancy of the T2 site). The variable positional parameters x (for T1) and y (for T2) exhibit remarkably small variations with composition (t) and temperature. The present low-temperature powder neutron-diffraction data confirm the earlier finding that the {beta}-Mn{sub 1-t}Co{sub t} phase does not exhibit conventional co-operative magnetic ordering. However, the appearance of diffuse scattering in the low-temperature diffraction patterns is clearly generated by short-range ordering of magnetic moments, which owing to the atomic arrangement of the {beta}-Mn-type structure becomes geometric frustrated. The temperature dependence of the magnetic susceptibility for {beta}-Mn{sub 1-t}Co{sub t} is re-measured. Neglecting {beta}-Mn itself (which exhibits virtually temperature-independent paramagnetism), our magnetic susceptibility curves above some 80 K for t = 0.15, 0.25, and 0.40 can with good-will be described by the Curie-Weiss relation, indicating antiferromagnetic correlations at low temperatures. However, the thus involved paramagnetic moments and Weiss constants must indeed be stamped as unphysically large.

  2. Thermodynamics of oxygen in solid solution in vanadium and niobium--vanadium alloys

    International Nuclear Information System (INIS)

    A thermodynamic study was made of the vanadium-oxygen and niobium-vanadium-oxygen systems utilizing the solid state galvanic cell technique. Investigations were made with a ThO2/Y2O3 electrolyte over the temperature ranges 700 to 12000C (973 to 1473 K) for the binary system and 650 to 11500C (923 to 1423 K) for the ternary system. The activity of oxygen in vanadium obeys Henry's law for the temperatures of this investigation for concentrations up to 3.2 at. percent oxygen. For higher concentrations the activity coefficient shows positive deviations from Henry's law. The terminal solubility of oxygen in vanadium was determined. The activity of oxygen in Nb--V alloys obeys Henry's law for the temperatures of this study for oxygen concentrations less than approximately 2 at. percent. For certain Nb/V ratios Henry's law is obeyed for concentrations as high as 6.5 at. percent oxygen. First order entropy and enthalpy interaction coefficients have been determined to describe the effect on the oxygen activity of niobium additions to vanadium-rich alloys with dilute oxygen concentrations. Niobium causes relatively small decreases in the oxygen activity of V-rich alloys and increases the oxygen solubility limit. Vanadium additions to Nb-rich alloys also increases the oxygen solubility and causes substantial decreases in the dilute solution oxygen activities. The change in the thermodynamic properties when molecular oxygen dissolves in vanadium and niobium--vanadium alloys and the equilibrium oxygen pressure over the binary and ternary systems were also determined

  3. Review of magnetic features observed in (A,A')Ni2B2C solid solutions

    International Nuclear Information System (INIS)

    The nickel-borocarbides ANi2B2C [A=Y, Ln (lanthanide), An(actinide)], crystallizing in the body-centred tetragonal LuNi2B2C-type structure, are classified according to the existence or coexistence of superconducting and antiferromagnetic states (AF). The magnetic features observed in polycrystalline (A,A')Ni2B2C solid solutions, adopting the same crystal structure, are reviewed and discussed. Published data on the magnetism in (A,Ln)Ni2B2C systems (ANi2B2C nonmagnetic, A=Y,La,Lu) indicate a gradual rise in the threshold content, x(m), in (Y1-xLnx)Ni2B2C (Ln=Gd,Tb,Dy,Ho,Er) for the establishment of AF states. (A,A')Ni2B2C systems with magnetic end compounds show gradual variation in magnetic features when A and A' are both heavy Ln. The behaviour of (A,A')Ni2B2C systems of light A (Pr or U) and heavy A' (Dy or Tm) depends on the magnetic structures of the end compounds. In intermediate compositions, incomplete moment compensation in (Pr,Dy)Ni2B2C decreases TN, while different moment directions in the end compounds in (U,Dy)Ni2B2C lead to a directional frustration of ordered moments. Such a frustration in (U,Tm)Ni2B2C is related to different magnetic structures of the end compounds

  4. Solid solution formation and microstructure of UO2 added with Nb and Ca

    International Nuclear Information System (INIS)

    Preparation of UO2 fuels added with Nb and Ca has been done by mixing UO2 with Nb2O5 and CaUO4 oxides respectively and heating them at 1390degC in stream of helium. Characterization has been then carried out with aid of X-ray diffraction analysis and metallography. The results can be summarized as follows. Nb could dissolve and form solid solution in UO2 with y up to 0.01, where y = Nb/(Ub+U) atomic ratio. The effect of Ca on the change of lattice parameter of the UO2 could be explained well using the simple ionic model, and according to this model, Ca occupies uranium sublattice of the UO2 (substitutional mechanism). Observation of the microstructure of the fuels showed that Nb created large grains and pores. The pores enlarged whether a liquid second phase was present or not. However, the grains did not enlarge and tended to be spherical when the liquid second phase was present. The structure of the liquid second phase could not be determined, but it had a melting point of 1328degC as confirmed by DTA. The evaluation also showed that Ca created small grains and pores. The difference in the grain and pore structure between (Nb,U)O2+x and (Ca,U)O2+x fuels was considered to be strongly due to the different lattice defect created by Nb and Ca, where Nb created a uranium vacancy which is considered to enhance the grain and pore growth and Ca created an oxygen vacancy which is considered to be less effective to enhance grain and pore growth. (author)

  5. Enthalpy of formation of quasicrystalline phase and ternary solid solutions in the Al-Fe-Cu system

    Institute of Scientific and Technical Information of China (English)

    I.A. Tomilin; S.D. Kaloshkin; V. V. Tcherdyntsev

    2006-01-01

    Standard enthalpies of formation of quasicrystalline phase and the ternary solid solutions in the Al-Fe-Cu system and the intermetallic compound FeAl were determined by the means of solution calorimetry. The quasicrystalline phase was prepared using two different methods. The first method (Ⅰ) consisted of ball milling the mixture of powders of pure aluminum copper and iron in a planetary mill with subsequent compacting by hot pressing and annealing. The second method (Ⅱ) consisted of arc melting of the components in argon atmosphere followed by annealing. The latter method was used for preparing the compound FeAl and the solid solutions. The phases were identified using the XRD method. The enthalpy of the formation was determined for the quasicrystalline phase of the composition Al62Cu25.5Fe12.5 and the ternary BCC solid solutions Al35Cu14Fe51, Al40Cu17Fe43, and Al50.4Cu19.6Fe30. The measured enthalpy of formation of the intermetallic com pound FeAl is in good agreement with the earlier published data. The enthaipies of formation of the quasicrystalline phases prepared using two different methods are close to each other, namely, -22.7±3.4 (method Ⅰ) and -21.3±2.1 (method Ⅱ)k J/mol.

  6. Suppression of ferromagnetism in solid solution CePd{sub x}Ga{sub 4−x}

    Energy Technology Data Exchange (ETDEWEB)

    Pikul, A.P.; Kaczorowski, D.; Wiśniewski, P., E-mail: P.Wisniewski@int.pan.wroc.pl

    2015-11-05

    In order to extend our knowledge on effects of substitution of gallium by transition metal in solid solutions of gallides with the tetragonal BaAl{sub 4}-type crystal structure we studied physical properties of polycrystalline samples of CePd{sub x}Ga{sub 4−x} (x = 0.2−0.8). X-ray diffraction confirmed that the unit-cell volume of the system changes in a non-monotonic way with a maximum around x{sup ∗} = 0.6. We performed magnetization, specific heat, electrical resistivity and thermoelectric power measurements in wide temperature and magnetic field ranges. Magnetic moments of Ce{sup 3+} ions are very close to the value corresponding to the localized 4f-state in the whole x-range covered, yet their variation with x coincides with that of lattice parameters, with a minimum close to x{sup ∗}. The alloys order ferromagnetically at low temperatures, which causes distinct anomalies of the measured properties. The ordering temperature decreases with increasing the Pd content from 3.7 K for x = 0.2 down to 1.3 K for x = 0.8. The results suggest that no quantum critical transition can be approached within the solid solution existence range. - Highlights: • CePd{sub x}Ga{sub 4−x} is a solid solution with pelectron atoms (Ga) swapped for d-electron ones (Pd). • Swapping modifies in the strength of f−(p,d)hybridization. • Magnetic, thermodynamic and electron transport properties are determined at low temperatures. • CePd{sub x}Ga{sub 4−x} adopt magnetic order in whole range of existence of the solution. • No quantum critical transition can be approached within the solid solution existence range.

  7. Effect of Heat-Treatment and Composition on Structure and Luminescence Properties of Spinel-Type Solid Solution Nanocrystals.

    Science.gov (United States)

    Sakoda, Kazuki; Hirano, Masanori

    2015-08-01

    The compositional dependence of the structure and properties of spinel-type solid solutions, Zn(A,Ga)2O4 was investigated by comparison with samples hydrothermally prepared and those after heat treatment at 1000 °C in air. Nanocrystalline spinel-type solid solutions in the whole composition range in the ZnAl2O4-ZnGa2O4 system were directly formed from the aqueous precursor solutions of ZnSO4, Al(NO3)3 and Ga(NO3)3 under hydrothermal conditions at 180 °C for 5 h in the presence of tetramethylammonium hydroxide. The incorporation of aluminum into the lattice, Zn(AlxGa1-x)2O4, resulted in lower crystallinity of the spinel. The relationship between the lattice parameter of as-prepared samples and the Al atomic ratio in the spinel composition was slightly apart from the ideal linear relationship that was obtained in the samples after heat treatment at 1000 °C. The optical band gap of both as-prepared solid solutions and those heat treated linearly increased from 4.1~4.2 to 5.25 eV by the incorporation of aluminum ion into the lattice, Zn(AlxGa1-x)2O4. Two main broad-band emission spectra centered at around 360 and 430 nm in the range of 300-600 nm were observed in the spinel solid solutions under excitation at 270 nm, thought their broad-band emission spectra and their peak wavelengths subtly changed depending on the composition and heat treatment. PMID:26369200

  8. Solid-state synthesis and characterization of LiCoO2 and LiNiCo1–O2 solid solutions

    Indian Academy of Sciences (India)

    P Periasamy; B Ramesh Babu; R Thirunakaran; N Kalaiselvi; T Prem Kumar; N G Renganathan; M Raghavan; N Muniyandi

    2000-10-01

    Solid solutions of compositions LiNiCo1–O2 ( = 0.0, 0.1 and 0.2) were prepared by solid-state fusion synthesis from carbonate precursors. Material characterization was carried out using XRD. Formation mechanisms of the products are discussed in the light of TG/DTA results. Nickel-containing compositions gave higher discharge capacities and smaller hystereses in their charge–discharge profiles which make them more attractive than pristine LiCoO2 as cathode materials in high-energy lithium cells. The lower loss in capacity per cycle for cells with unsubstituted LiCoO2 , as determined from cycling studies up to 25 cycles, makes it more suitable than the substituted ones for long cycle-life cells with low capacity fade.

  9. 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-energy...

  10. State diagram and monocrystal growth of solid solutions of AgGaS2-AgInS2 system

    International Nuclear Information System (INIS)

    Results are presented upon studying the state diagram and growing of AgGaS2, AgInS2 monocrystals and associated solid solutions. The AgInS2 ternary compound, at its hardening from 800 deg C down to room temperature, has been prepared in the form of an orthorhombic modification with the lattice parameters 1 = 7.002 +- 0.05, b = 8.275 +- 0.005, c = 6.699 +- 0.05 A. Lattice parameters variation has been studied depending on a solid solution composition in the AgGaS2-AgInS2 system. The state diagram is characterized by a very narrow crystallization interval. The solidus and liquidus curves are shown to concave downwards. The process and conditions of crystallization are described

  11. PRODUCTION, DIELECTRIC PROPERTY AND MICROWAVE ABSORPTION PROPERTY OF SiC(Fe SOLID SOLUTION POWDER BY SOL-GEL METHOD

    Directory of Open Access Journals (Sweden)

    XIAOLEI SU

    2014-03-01

    Full Text Available SiC(Fe solid solution powders were synthesized by sol–gel method under different reaction time, using methyltriethoxysilane as the silicon and carbon source and analytic ferric chloride as the dopant, respectively. The synthesized powders have been characterized by XRD, SEM and Raman spectra. Results show that the lattice constant decreases with increasing reaction time. The electric permittivities of SiC samples were determined in the frequency range of 8.2 ~ 12.4 GHz. Results show that the permittivity of SiC decreases with increasing reaction time. The SiC(Fe solid solution powder with reaction time of 4 h with 2 mm thickness exhibit the best microwave absorption property in X-band range (8.2 - 12.4 GHz. The microwave absorption mechanism has been discussed.

  12. Thermal studies on precursors and gel- combustion synthesis for the preparation of thoria yttria (YDT) solid solution

    International Nuclear Information System (INIS)

    Thermal decomposition of yttrium acetate, thorium nitrate and citric acid used as precursors for the synthesis of Yd was studied. Solid solution of ThO2 (92.5 mold) and Y2O3 (7.5 mold) was synthesized using combustion synthesis. The progress of combustion synthesis was monitored using thermogravimetry. Yd powder was characterized for bulk density, surface area, size distribution of the particles and crystallite size. Compaction and sintering parameters were optimized to get high-density pellet with good microhomogenity. The residue obtained after the combustion reaction was found to be a solid solution of yttria and thoria. High density (>96% of TD) pellets of YDT were prepared after optimizing compaction and sintering parameters. Electrolytic conducting behavior was studied using electromotive force (EMF) method. (author)

  13. Synthesis and deformation microstructure of Ti3SiAl0.2C1.8 solid solution

    International Nuclear Information System (INIS)

    Solid solution Ti3SiAl0.2C1.8 was synthesized by sintering powder compacts containing Ti, Si, Al, and C with a mole ratio of 3:1:0.2:1.8 at 1550 deg. C for 5 min in Ar. X-ray diffraction and scanning electron microscopy were used to characterize the samples. The results show that nearly single solid solution was obtained except for the presence of a small amount of TiC. The observation from the fracture surface shows that delamination, kink band formation and crack deflection are prevalent features in the deformed Ti3SiAl0.2C1.8 grains. The crystal parameters for Ti3SiAl0.2C1.8 were analyzed and the multiple energy dissipation mechanisms were discussed

  14. Solid-liquid extraction of Mo and W by Aliquat 336 from HCl solutions toward extraction chromatography experiments of Sg

    International Nuclear Information System (INIS)

    We studied solid-liquid extraction behavior of carrier-free Mo and W radiotracers onto an Aliquat 336-loaded resin from HCl solutions toward extraction chromatography experiments of element 106, seaborgium (Sg). Distribution coefficients (Kd) of Mo and W on the resin were determined as a function of HCl concentration by a batch method. On-line extraction chromatography of Mo and W was also carried out in 2-8 M HCl solutions with an automated rapid chemistry apparatus. The order of extraction probability from 2 to 8 M HCl was Mo > W, which reflected the order of the Kd values in the batch experiment. (author)

  15. Thermophysical characteristics of Pb0.679Cd0.321F2 solid-solution crystals

    Science.gov (United States)

    Popov, P. A.; Matovnikov, A. V.; Moiseev, N. V.; Buchinskaya, I. I.; Karimov, D. N.; Sorokin, N. I.; Sulyanova, E. A.; Sobolev, B. P.; Krutov, M. A.

    2015-01-01

    The thermal conductivity (at temperatures of 50-300 K) and specific heat (at 58-307 K) of Pb0.679Cd0.321F2 solid solution crystals with a fluorite structure, as well as the specific heat of crystals of fluorite modification β-PbF2 (in a temperature range of 79-311 K), have been experimentally investigated for the first time. The temperature dependences of the phonon mean free path in these crystals are determined.

  16. Effect of Solid Solution Treatment on Microstructure of Fe-Ni Based High Strength Low Thermal Expansion Alloy

    Institute of Scientific and Technical Information of China (English)

    ZHANG Jian-fu; TU Yi-fan; XU Jin; ZHANG Jian-sheng; ZHANG Jing-lin

    2008-01-01

    The influence of solid solution treatments on the dissolution of carbides precipitates, the grain size, and the hardness of high strength low expansion alloy were investigated through XRD analysis, microstructure observations, and theoretical computation. It was seen that most primary Mo2C type carbide band dissolved in a temperature range of 1 100-1 150 ℃. When the temperature was over 1 200 ℃, the grain size increased remarkably, which led to the reduction of hardness.

  17. Enhanced sintering and conductivity study of cobalt or nickel doped solid solution of barium cerate and zirconate

    DEFF Research Database (Denmark)

    Ricote, Sandrine; Bonanos, Nikolaos

    atmospheres and compared to the undoped compounds. The ionic and p-type conductivities have been determined, as well as the activation energy in wet reducing atmospheres, in which protonic conduction is dominant. A decrease of the ionic conductivity is noticeable for the cobalt or nickel doped barium...... zirconate (x = 0), while not for cobalt or nickel solid solution of barium cerate and zirconate (x = 0.2)....

  18. Electric conductivity of Ba1-xHoxF2+x solid solution with fluorite-like structure

    International Nuclear Information System (INIS)

    The investigations of electric conductivity of Ba1-xHoxF2+x (0.09≤x≤0.20) solid solution with fluorite structure in the 293 - 300K temperature range are performed. It has been found that the crystal conductivity of the BaF2 - HoF3 system is caused practically by temperature independent concentration of F- ions moving in a hopping way

  19. Crystal Violet Lactone Salicylaldehyde Hydrazone Zn(II) Complex: a Reversible Photochromic Material both in Solution and in Solid Matrix

    OpenAIRE

    Kai Li; Yuanyuan Li; Jing Tao; Lu Liu; Lili Wang; Hongwei Hou; Aijun Tong

    2015-01-01

    Crystal violet lactone (CVL) is a classic halochromic dye which has been widely used as chromogenic reagent in thermochromic and piezochromic systems. In this work, a very first example of CVL-based reversible photochromic compound was developed, which showed distinct color change upon UV-visible light irradiation both in solution and in solid matrix. Moreover, metal complex of CVL salicylaldehyde hydrozone was facilely synthesized, exhibiting reversible photochromic properties with good fati...

  20. NMR study of order in YxLu3-xAl5O12 solid solutions

    International Nuclear Information System (INIS)

    Concentration dependences of values of quadrupole decomposition and widths of Al27 NMR lines in YxLu3-xAl5O12 mixed garnets are investigated at x=3, 2.8, 2.4, 2.25, 2.0, 1.0, 0. Partial ordering of solid solution with x=2.25 is determined by narrowing of NMR line, it correlates with measurement results of concentration dependences of phonon relaxation time in aluminium yttrium-lutetium garnets

  1. Effect of Li atoms in solid solution on recrystallization and texture development in model Al-0.8%Li alloy

    International Nuclear Information System (INIS)

    In this work the influence of Li atoms in solid solution on plastic deformation, recrystallization and texture development in model Al-0.8%Li alloy was investigated. It was stated that Li atoms lead to shear band formation during cold rolling. Moreover, in compare with traditional aluminium alloys, the interactions between grain boundaries and Li atoms causes a continuous recrystallization and the formation of a different texture. (author)

  2. Effect of Li atoms in solid solution on recrystallization and texture development in model Al-0.8%Li alloy

    Energy Technology Data Exchange (ETDEWEB)

    Lewandowska, M.; Mizera, J.; Wawrzykowski, J.W. [Faculty of Materials Science and Engineering, Warsaw University of Technology, Warsaw (Poland)

    1995-12-31

    In this work the influence of Li atoms in solid solution on plastic deformation, recrystallization and texture development in model Al-0.8%Li alloy was investigated. It was stated that Li atoms lead to shear band formation during cold rolling. Moreover, in compare with traditional aluminium alloys, the interactions between grain boundaries and Li atoms causes a continuous recrystallization and the formation of a different texture. (author). 6 refs, 6 figs.

  3. A systematic study of solid solutions of iron in copper and nickel by means of the IPDC technique

    International Nuclear Information System (INIS)

    Solid solutions of iron in copper and nickel have been studied with the integral perturbed directional correlation technique. The Fe:Cu samples with an iron concentration larger than 3% show a significant perturbation. The effect of cold work on the perturbation is also investigated. For the Fe:Ni alloys the hyperfine field acting on the 59Co nucleus is found to be negative and to have its smallest magnitude for an iron concentration of approximately 70%. (author)

  4. Structural and magnetic properties of UCo1/3T2/3Al solid solutions (T = Ru, Pt, Rh)

    International Nuclear Information System (INIS)

    We report on neutron diffraction studies of UCo1/3T2/3Al (T = Ru, Pt, Rh). All three solid solutions form in the hexagonal ZrNiAl structure. The Ru-containing compound is found to be chemically ordered, while the Pt-containing compound is nearly disordered and the Rh-containing compound is purely disordered. All three compounds exhibit long-range magnetic order with rather small U moments

  5. Computer modeling of the local structure, mixing properties, and stability of solid solutions of alkaline-earth metal oxides

    International Nuclear Information System (INIS)

    A technique for the computer modeling of disordered binary oxide solid solutions MO-M'O in a wide composition range has been developed. The method of atomistic pair potentials was used for 4 x 4 x 4 supercells. The parameters of the potentials are optimized using the structural and elastic properties of pure components MgO, CaO, SrO, and BaO. The temperature dependences of the heat capacity and entropy are calculated for pure components. The excess mixing properties (enthalpy, volume, bulk modulus, vibrational entropy) are found for different compositions of MgxCa(1-x)O, CaxSr(1-x)O, and SrxBa(1-x)O solid solutions. Temperature and composition dependences of the excess Gibbs energy were constructed, which made it possible to approximately estimate the critical decomposition temperatures and limits of component miscibility. Statistical analysis of lattice distortions in the first and second coordination spheres reveals a detailed picture of the solid-solution local structure.

  6. 2,6-Diketopiperazines from amino acids, from solution-phase to solid-phase organic synthesis.

    Science.gov (United States)

    Perrotta, E; Altamura, M; Barani, T; Bindi, S; Giannotti, D; Harmat, N J; Nannicini, R; Maggi, C A

    2001-01-01

    A method to prepare 1,3-disubstituted 2,6-diketopiperazines (2,6-DKP) as useful heterocyclic library scaffolds in the search of new leads for drug discovery is described. The method can be used in solution-phase and solid-phase conditions. In the key step of the synthesis, the imido portion of the new molecule is formed in solution through intramolecular cyclization, under basic conditions, of a secondary amide nitrogen on a benzyl ester. A Wang resin carboxylic ester is used as the acylating agent under solid-phase conditions, allowing the cyclization to take place with simultaneous cleavage of the product from the resin ("cyclocleavage"). The synthetic method worked well with several couples of amino acids, independently from their configuration, and was used for the parallel synthesis of a series of fully characterized compounds. The use of iterative conditions in the solid phase (repeated addition of fresh solvent and potassium carbonate to the resin after filtering out the product-containing solution) allowed us to keep diastereoisomer content below the detection limit by HPLC and (1)H NMR (200 MHz). PMID:11549363

  7. Computer modeling of the local structure, mixing properties, and stability of binary oxide solid solutions with corundum structure

    International Nuclear Information System (INIS)

    An original technique of computer modeling of substitutional solid solutions has been applied to Al2O3-Cr2O3, Al2O3-Fe2O3, and Fe2O3-Cr2O3 binary systems. The parameters of semiempirical interatomic potentials were optimized using the experimentally studied structural, elastic, and thermodynamic properties of pure components. Among point defects, the most energetically favorable ones for all three oxides are Schottky vacancy quintets. To model (Mx1M1-x2)2O3 solid solutions, 4 x 4 x 1 disordered supercells with M1: M2 cation ratios of 1: 5, 1: 2, 1: 1, 2: 1, and 5: 1 have been constructed in the cation sublattice containing 192 atoms. The mixing enthalpy and volume, interaction parameters, bulk moduli, and vibrational entropy were found by minimizing the interatomic interaction energy in supercells with the symmetry P1. Calculations of the Gibbs energy made it possible to estimate the fields of stability of the Al2O3-Cr2O3 and Al2O3-Fe2O3 solid solutions; these estimates were compared with the experimental data. Histograms of M-M, M-O, and O-O interatomic distances were constructed and the local structure was analyzed for the Al1.0Cr1.0O3, Al1.0Fe1.0O3, and Fe1.0Cr1.0O3 compositions.

  8. Formation conditions and nature of solid solutions in the Fe2O3 - V2O3 system

    International Nuclear Information System (INIS)

    The phase composition of Fe2O3 and V2O3 interaction products is unvestigated at different pressures of gas phase and temperature in the air conditions. It is established, that at low temperature up to 900 deg C, Fesub(2-2x)Vsub(2x)Osub(3) solid solution is forming in the individual ampules and above this temperature partial dissociation of Fe2O3 and appearance of Fesub(3-2x)Vsub(2x)Osub(4) solid solution on the base of magnetite with the spinel defect structure is observed. The formation of three phases with different structure: Fesub(2-2x)Vsub(2x)Osub(3), Fesub(3-2x)Vsub(2x)Osub(4) and V3O5 is observed simultaneously at annealing of samples in the general ampule at 1000 deg C. Thermal behaviour of the forming solid solutions in the air is studied

  9. Structural and photo luminescent properties of uncapped nanocrystalline Cd 1- xZn xS solid solutions

    Science.gov (United States)

    Arora, Sonia; Manoharan, S. Sundar

    2008-10-01

    Uncapped nanocrystalline Cd 1- xZn xS (0.0 ⩽ x ⩾ 0.5) solid solution prepared by microwave assisted combustion route shows hexagonal to cubic phase transformation for even low doping of zinc up to 5 at.% as evident from the X-ray diffraction patterns and the selected area electron diffraction patterns. The solid solutions show a considerable shift in the optical absorption edge from ˜2.43 eV (CdS) to ˜2.73 eV for the equi-atomic composition (Cd 0.5Zn 0.5S). The blue emission in CdS shows effect of quantum confinement. The photo luminescence spectra of Zn lean compositions (up to 5 at.%) show emergence of a peak at λ ˜ 530 nm along with the blue emission features of CdS. However, solid solutions with higher zinc content (up to 50 at.%), show a systematic increase in the intensity of peak at 530 nm with a blue shift up to 30 at.% of zinc doping. Beyond 30%, a broad blue-green emission with full width at half maxima of ˜100 nm for Cd 0.5Zn 0.5S is observed.

  10. Hydrogen storage in TiCr{sub 1.2}(FeV){sub x} BCC solid solutions

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Sydney F. [Institut de Recherche sur l' hydrogene, Universite du Quebec a Trois-Rivieres 3351, Boul. des Forges, Trois-Rivieres, Quebec G9A 5H7 (Canada)], E-mail: sfsantos91@yahoo.com.br; Huot, Jacques [Institut de Recherche sur l' hydrogene, Universite du Quebec a Trois-Rivieres 3351, Boul. des Forges, Trois-Rivieres, Quebec G9A 5H7 (Canada)

    2009-03-20

    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{sub 1.2}(FeV){sub 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{sub 1.2}(FeV){sub 0.4} alloy, which achieved 2.79 mass% of hydrogen storage capacity and 1.36 mass% of reversible hydrogen storage capacity.

  11. Controlling the oxygen potential to improve the densification and the solid solution formation of uranium-plutonium mixed oxides

    Science.gov (United States)

    Berzati, Ségolène; Vaudez, Stéphane; Belin, Renaud C.; Léchelle, Jacques; Marc, Yves; Richaud, Jean-Christophe; Heintz, Jean-Marc

    2014-04-01

    Diffusion mechanisms occurring during the sintering of oxide ceramics are affected by the oxygen content of the atmosphere, as it imposes the nature and the concentration of structural defects in the material. Thus, the oxygen partial pressure, p(O2), of the sintering gas has to be precisely controlled, otherwise a large dispersion in various parameters, critical for the manufacturing of ceramics such as nuclear oxides fuels, is likely to occur. In the present work, the densification behaviour and the solid solution formation of a mixed uranium-plutonium oxide (MOX) were investigated. The initial mixture, composed of 70% UO2 + 30% PuO2, was studied at p(O2) ranging from 10-15 to 10-4 atm up to 1873 K both with dilatometry and in situ high temperature X-ray diffraction. This study has shown that the initial oxides UO2+x and PuO2-x first densify during heating and then the solid solution formation starts at about 200 K higher. The densification and the formation of the solid solution both occur at a lower temperature when p(O2) increases. Based on this result, it is possible to better define the sintering atmosphere, eventually leading to optimized parameters such as density, oxygen stoichiometry and cations homogenization of nuclear ceramics and of a wide range of industrial ceramic materials.

  12. Solution and interfacial behavior of modified silicone polymers and their interactions with solid substrates

    Science.gov (United States)

    Purohit, Parag

    Surface treatment is very important step in many applications such as fabric finishing, coatings, cosmetics and personal care. Silicone polymers are a class of organic/inorganic materials that show unique properties such as weak intermolecular forces and high flexibility enabling even a very high molecular weight chain to achieve optimal orientation on surfaces. Material properties such as softness, repellency, bounciness and friction can therefore be tailored by using appropriately modified silicone polymers. Despite wide applications, the underlying mechanisms of material modification are unknown and tailoring silicones for applications remains mostly empirical. Thus the objective of this research is to understand the solution and interfacial behavior of functionalized silicone polymers, which govern their performance in material modification. Modified silicones are simultaneously hydrophobic and oleophobic in nature and due to this nearly universal non-compatibility, the studies of these polymers present unusual challenges. Due to this incompatible nature, the functionalized silicone polymers were emulsified into O/W emulsions to study their solution and interfacial properties. The colloidal properties such as electrokinetic and droplet distribution of these emulsions are assumed to play an important role in the observed surface and physical properties of solid substrates (in present study, cellulosic substrates) as well the stability of emulsions itself. To understand the effects of modified silicones on cellulosic substrates a variety of techniques such as frictional analysis, scanning electron microscopy and atomic force microscopy that can probe from macro to nano level were used. It is hypothesized that the size distribution and charge of silicone emulsions as well as the physiochemical conditions such as pH, control silicone conformation which in turn affect the modification of the substrate properties. With bimodal droplet distribution of silicone

  13. A New Composite Support for Pd Catalysts for Ethylene Glycol Electrooxidation in Alkaline Solution: Effect of (Ru,Sn)O2 solid solution

    International Nuclear Information System (INIS)

    Highlights: • Hydrothermal-prepared RuO2-SnO2 was added to XC-72 carbon black as composite support. • (Ru,Sn)O2 solid solution increases the EAS and specific activity of Pd. • (Ru,Sn)O2 changes the electron structure of Pd 3d and reduces CO coverage on Pd. • (Ru,Sn)O2 solid solution also enhances the OHads adsorption on Pd surface. • Pd/RuO2-SnO2/C catalyst shows highest activity and stability for EG oxidation. - Abstract: In this paper, RuO2-SnO2 binary oxides were prepared using a hydrothermal approach and added to Vulcan XC-72 carbon black as new support material for Pd. The X-ray diffraction, Transmission electron microscopy and X-ray photoelectronic spectra results show that the addition of binary oxides leads to the formation of (Ru,Sn)O2 solid solution in Pd/C catalyst and reduces the particle size of Pd particles due to the anchoring effect. In addition, the electrochemical CO-striping measurement reveals that the Pd/RuO2-SnO2/C catalyst exhibits the largest electrochemical active surface and the best CO tolerance. Moreover, cyclic voltammetry and chronoamperometry tests demonstrate that the Pd/RuO2-SnO2/C catalyst possesses a much higher specific activity (4.4 mA cm−2) than that of the Pd/C catalyst (3.2 mA cm−2) towards ethylene glycol electrooxidation in alkaline media, and better stability as well. These results support the suitability of Pd/RuO2-SnO2/C catalyst developed in this work as a promising candidate for direct alcohol fuel cells (DAFCs) application

  14. A model for trace metal sorption processes at the calcite surface: Adsorption of Cd2+ and subsequent solid solution formation

    Science.gov (United States)

    Davis, J.A.; Fuller, C.C.; Cook, A.D.

    1987-01-01

    The rate of Cd2+ sorption by calcite was determined as a function of pH and Mg2+ in aqueous solutions saturated with respect to calcite but undersaturated with respect to CdCO3. The sorption is characterized by two reaction steps, with the first reaching completion within 24 hours. The second step proceeded at a slow and nearly constant rate for at least 7 days. The rate of calcite recrystallization was also studied, using a Ca2+ isotopic exchange technique. Both the recrystallization rate of calcite and the rate of slow Cd2+ sorption decrease with increasing pH or with increasing Mg2+. The recrystallization rate could be predicted from the number of moles of Ca present in the hydrated surface layer. A model is presented which is consistent with the rates of Cd2+ sorption and Ca2+ isotopic exchange. In the model, the first step in Cd2+ sorption involves a fast adsorption reaction that is followed by diffusion of Cd2+ into a surface layer of hydrated CaCO3 that overlies crystalline calcite. Desorption of Cd2+ from the hydrated layer is slow. The second step is solid solution formation in new crystalline material, which grows from the disordered mixture of Cd and Ca carbonate in the hydrated surface layer. Calculated distribution coefficients for solid solutions formed at the surface are slightly greater than the ratio of equilibrium constants for dissolution of calcite and CdCO3, which is the value that would be expected for an ideal solid solution in equilibrium with the aqueous solution. ?? 1987.

  15. Processing of solid solution, mixed uranium/refractory metal carbides for advanced space nuclear power and propulsion systems

    Science.gov (United States)

    Knight, Travis Warren

    Nuclear thermal propulsion (NTP) and space nuclear power are two enabling technologies for the manned exploration of space and the development of research outposts in space and on other planets such as Mars. Advanced carbide nuclear fuels have been proposed for application in space nuclear power and propulsion systems. This study examined the processing technologies and optimal parameters necessary to fabricate samples of single phase, solid solution, mixed uranium/refractory metal carbides. In particular, the pseudo-ternary carbide, UC-ZrC-NbC, system was examined with uranium metal mole fractions of 5% and 10% and corresponding uranium densities of 0.8 to 1.8 gU/cc. Efforts were directed to those methods that could produce simple geometry fuel elements or wafers such as those used to fabricate a Square Lattice Honeycomb (SLHC) fuel element and reactor core. Methods of cold uniaxial pressing, sintering by induction heating, and hot pressing by self-resistance heating were investigated. Solid solution, high density (low porosity) samples greater than 95% TD were processed by cold pressing at 150 MPa and sintering above 2600 K for times longer than 90 min. Some impurity oxide phases were noted in some samples attributed to residual gases in the furnace during processing. Also, some samples noted secondary phases of carbon and UC2 due to some hyperstoichiometric powder mixtures having carbon-to-metal ratios greater than one. In all, 33 mixed carbide samples were processed and analyzed with half bearing uranium as ternary carbides of UC-ZrC-NbC. Scanning electron microscopy, x-ray diffraction, and density measurements were used to characterize samples. Samples were processed from powders of the refractory mono-carbides and UC/UC 2 or from powders of uranium hydride (UH3), graphite, and refractory metal carbides to produce hypostoichiometric mixed carbides. Samples processed from the constituent carbide powders and sintered at temperatures above the melting point of UC

  16. Influence of chemical substitution on the photoluminescence of Sr(1−x)PbxWO4 solid solution

    International Nuclear Information System (INIS)

    The solid solution Sr1−xPbxWO4 based on luminescent tungstates SrWO4 and PbWO4 has been synthesized by solid-state reaction for all compositions 0≤x≤1. Using Rietveld method, the structural data of all polycrystalline samples have been refined and crystal cell parameters exhibited a linear behavior as a function of x. All substituted structures are of scheelite type. Scanning electron microscopy showed that a high level of crystallization characterized the samples, with modifications in sizes and shapes depending on composition x. Infrared and Raman spectroscopy have been performed to characterize the evolution of vibrational modes with substitution rate. Finally, a systematic study of luminescence under X-ray excitation has been performed: in the composition range x=0.2 to 0.4, intensities of emission exhibited increased values. The luminescence profiles have been interpreted in terms of four Gaussian components, two of them depending on substitution rate. - Graphical abstract: Photoluminescence under X-ray excitation of Sr1−xPbxWO4 solid solution: (left) decomposition of emission large band into four components for composition x=0.3; (right) variation of total emission intensity with composition x. - Highlights: • Structural study of solid solution Sr1−xPbx WO4 using Rietveld analyses. • Variation of Debye–Waller factor with composition x, disorder parameter. • Existence of four components of luminescence under X-ray excitation. • Effect of substitution of Sr by Pb on two components, due to Pb–O–W interactions. • Enhancement of luminescence intensity in a specific composition range

  17. Grain-boundary migration in nonstoichiometric solid solutions of magnesium aluminate spinel 2; Effects of grain-boundary nonstoichiometry

    Energy Technology Data Exchange (ETDEWEB)

    Chiang, Y.M. (Massachusetts Inst. of Tech., Cambridge, MA (USA). Dept. of Materials Science and Engineering); Kingery, W.D. (Arizona Univ., Tucson, AZ (USA))

    1990-05-01

    The grain-boundary chemistry of magnesium aluminate spinel solid solutions MgO {center dot} nAl{sub 2}O{sub 3} has been investigated in order to understand the mechanism of grain-boundary migration. It is found that although segregation of impurity Ca and Si is common, much larger deviations in grain-boundary stoichiometry are present. There is an excess of Al and O relative to Mg at grain boundaries in all compositions. Grain-boundary migration appears to be rate-limited by solute drag from intrinsic defects accommodating lattice nonstoichiometry, rather than by extrinsic solutes, consistent with the observed impurity tolerance of grain-boundary mobility. Different rate-limiting defects are proposed for magnesia-rich and alumina-rich spinels.

  18. Phase-field modeling of two-dimensional solute precipitation/dissolution: Solid fingers and diffusion-limited precipitation

    Energy Technology Data Exchange (ETDEWEB)

    Zhijie Xu; Paul Meakin

    2011-01-01

    Two-dimensional dendritic growth due to solute precipitation was simulated using a phase-field model reported earlier [Z. Xu and P. Meakin, J. Chem. Phys. 129, 014705 (2008)]. It was shown that diffusion-limited precipitation due to the chemical reaction at the solid–liquid interface has similarities with diffusion-limited aggregation (DLA). The diffusion-limited precipitation is attained by setting the chemical reaction rate much larger compared to the solute diffusion to eliminate the effect of the interface growth kinetics. The phase-field simulation results were in reasonable agreement with the analytical solutions. The fractal solid fingers can be formed in the diffusion-limited precipitation and have a fractal dimension measured df = 1.68, close to 1.64, the fractal dimensionality of large square lattice DLA clusters.

  19. Study of CdS{sub x}Te{sub 1{minus}x} solid solutions obtained by screen printing

    Energy Technology Data Exchange (ETDEWEB)

    Melo, O. de; Melendez-Lira, M.; Hernandez-Calderon, I.; Morales-Acevedo, A. [CINVESTAV-IPN, Mexico City (Mexico); Banos, L. [UNAM, Mexico City (Mexico). Inst. de Investigacion en Materiales

    1994-12-31

    Ternary solid solutions of II-VI compounds have been widely studied due to the possibility of their applications in semiconductor devices for specific utilization of tuning the band gap and lattice constant as a function of composition. In general, these solutions exist in the whole range of compositions when there is a structural coherence between the binary extremes. This is the case of CdTe-ZnTe, CdTe-HgTe and other II-VI ternary solutions. However, a different situation is observed when the binary compounds present different stable crystallographic phases. In this case, one can expect solubility only in composition ranges near to the extremes. Around these regions the solid solution structure is the same as that of the closest binary compound. CdS-CdTe or CdS{sub x}Te{sub 1{minus}x} belong to this kind of solutions since CdTe and CdS exhibit the zinc blend and wurzite phases, respectively. Recently, important progress has been reached in the elaboration of low cost solar cells based in CdS/CdTe heterostructures. This was accomplished by using different techniques such as chemical bath deposition, close space sublimation, electrodeposition and screen printing and sintering. In all these low cost techniques, at least a relatively high temperature step is necessary during the processing for the completion of the cell. Under these conditions, a CdS{sub x}Te{sub 1{minus}x} interfacial layer is formed which has great influence in the cell parameters and performance. In this work the authors present a study of the properties of this solution obtained in thin film form by screen printing and sintering technique. Optimal annealing conditions were found where the films were single phase and homogeneous. The samples were characterized by optical microscopy, talystep profiles, X-ray diffraction patterns, optical transmission and photoluminescence spectra.

  20. The solid-solution partitioning of heavy metals (Cu, Zn, Cd, Pb) in upland soils of England and Wales

    International Nuclear Information System (INIS)

    Solid-solution distributions of heavy metals can be described quantitatively by multiple regression and mechanistic modelling. - Ninety-eight surface soils were sampled from the uplands of England and Wales, and analysed for loss-on-ignition (LOI), and total and dissolved base cations, Al, Fe, and trace heavy metals (Cu, Zn, Cd, Pb). The samples covered wide ranges of pH (3.4-8.3) and LOI (9-98%). Soil metal contents measured by extraction with 0.43 mol l-1 HNO3 and 0.1 mol l-1 EDTA were very similar, and generally lower than values obtained by extraction with a mixture of concentrated nitric and perchloric acids. Total heavy metal concentrations in soil solution depend positively upon soil metal content and [DOC], and negatively upon pH and LOI, values of r2 ranging from 0.39 (Cu) to 0.81 (Pb). Stronger correlations (r2=0.76-0.95) were obtained by multiple regression analysis involving free metal ion (Cu2+, Zn2+, Cd2+, Pb2+) concentrations calculated with the equilibrium speciation model WHAM/Model VI. The free metal ion concentrations depend positively upon MHNO3 and negatively upon pH and LOI. The data were also analysed by using WHAM/Model VI to describe solid-solution interactions as well as solution speciation; this involved calibrating each soil sample by adjusting the content of 'active' humic matter to match the observed soil pH. The calibrated model provided fair predictions of total heavy metal concentrations in soil solution, and predicted free metal ion concentrations were in reasonable agreement with the values obtained from solution-only speciation calculations

  1. 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.

  2. Fabrication of platinum nanoparticles in aqueous solution and solid phase using amphiphilic PB-b-PEO copolymer nanoreactors

    International Nuclear Information System (INIS)

    Graphical abstract: TEM image of Pt nanoparticles produced by reducing by NaBH4 within PB-b-PEO micelles in aqueous media (scale bar 1 nm). - Highlights: • Pt nanoparticles were synthesized within amphiphilic diblock copolymer micelles. • The effects of reducing agents and precursor dose on Pt np size were investigated. • The effect on fabrication of Pt np by reducing in aqueous and solid phases was compared. • The size of nanoparticles was about 1.4 nm for all doses and reducing agents types. - Abstract: Fabrication of Pt nanoparticles using an amphiphilic copolymer template in aqueous solution was achieved via polybutadiene-block-polyethyleneoxide copolymer micelles, which acted as nanoreactors. In addition, Pt nanoparticles were synthesized using hydrogen gas as the reducing agent in solid state for the first time to compare against solution synthesis. The influences of loaded precursor salt amount to micelles and the type of reducing agent on the size of nanoparticles were investigated through transmission electron microscopy. It was found that increasing the ratio of precursor salt to copolymer and using different type of reducing agent, even in solid phase reduction, did not affect the nanoparticle size. The average size of Pt nanoparticles was estimated to be 1.4 ± 0.1 nm. The reason for getting same sized nanoparticles was discussed in the light of nucleation, growth process, stabilization and diffusion of nanoparticles within micelles

  3. Fabrication of platinum nanoparticles in aqueous solution and solid phase using amphiphilic PB-b-PEO copolymer nanoreactors

    Energy Technology Data Exchange (ETDEWEB)

    Hoda, Numan, E-mail: nhoda@akdeniz.edu.tr [Department of Chemistry, Faculty of Sciences, Akdeniz University, 07058 Antalya (Turkey); Budama, Leyla; Çakır, Burçin Acar; Topel, Önder [Department of Chemistry, Faculty of Sciences, Akdeniz University, 07058 Antalya (Turkey); Ozisik, Rahmi [Department of Materials Science and Engineering and Renssleaer Nanotechnology Center, Rensselaer Polytechnic Institute, Troy, NY 12180 (United States)

    2013-09-01

    Graphical abstract: TEM image of Pt nanoparticles produced by reducing by NaBH{sub 4} within PB-b-PEO micelles in aqueous media (scale bar 1 nm). - Highlights: • Pt nanoparticles were synthesized within amphiphilic diblock copolymer micelles. • The effects of reducing agents and precursor dose on Pt np size were investigated. • The effect on fabrication of Pt np by reducing in aqueous and solid phases was compared. • The size of nanoparticles was about 1.4 nm for all doses and reducing agents types. - Abstract: Fabrication of Pt nanoparticles using an amphiphilic copolymer template in aqueous solution was achieved via polybutadiene-block-polyethyleneoxide copolymer micelles, which acted as nanoreactors. In addition, Pt nanoparticles were synthesized using hydrogen gas as the reducing agent in solid state for the first time to compare against solution synthesis. The influences of loaded precursor salt amount to micelles and the type of reducing agent on the size of nanoparticles were investigated through transmission electron microscopy. It was found that increasing the ratio of precursor salt to copolymer and using different type of reducing agent, even in solid phase reduction, did not affect the nanoparticle size. The average size of Pt nanoparticles was estimated to be 1.4 ± 0.1 nm. The reason for getting same sized nanoparticles was discussed in the light of nucleation, growth process, stabilization and diffusion of nanoparticles within micelles.

  4. Properties of cationic monosubstituted tetraalkylammonium cyclodextrin derivatives - their stability, complexation ability in solution or when deposited on solid anionic surface.

    Science.gov (United States)

    Popr, Martin; Filippov, Sergey K; Matushkin, Nikolai; Dian, Juraj; Jindřich, Jindřich

    2015-01-01

    The thermal stability of the monosubstituted cationic cyclodextrin (CD) derivatives PEMEDA-β-CD and PEMPDA-β-CD, which differ in their substituent linker length (ethylene and propylene, respectively), was studied via (1)H NMR experiments. PEMPDA-β-CD exhibited higher resistance towards the Hofmann degradation and was chosen as a more suitable host molecule for further studies. Inclusion properties of PEMPDA-β-CD in solution with a series of simple aromatic guests (salicylic acid, p-methoxyphenol and p-nitroaniline) were determined by isothermal titration calorimetry (ITC) and compared to the native β-CD. Permanently charged cationic CD derivatives were successfully deposited on the anionic solid surface of polymeric Nafion(®) 117 membrane via electrostatic interactions. Deposition kinetics and coverage of the surface were determined by ELSD. Finally, the ability of the CD derivatives bound to the solid surface to encapsulate aromatic compounds from aqueous solution was measured by UV-vis spectroscopy. The obtained results are promising for future industrial applications of the monosubstituted β-CD derivatives, because the preparation of cationic CD derivatives is applicable in large scale, without the need of chromatographic purification. Their ionic deposition on a solid surface is simple, yet robust and a straightforward process as well. PMID:25815069

  5. Evaluation of the presence of microorganisms in solid-organ preservation solution

    Directory of Open Access Journals (Sweden)

    André Marcelo Colvara Mattana

    2011-12-01

    Full Text Available OBJECTIVE: To assess the presence of microorganism contamination in the preservation solution for transplant organs (kidney/pancreas. Method: Between August 2007 and March 2008, 136 samples of preservation solution were studied prior to graft implantation. Variables related to the donor and to the presence of microorganisms in the preservation solution of organs were evaluated, after which the contamination was evaluated in relation to the "recipient culture" variable. Univariate and multivariate statistical analyses were performed. RESULTS: The contamination rate of the preservation solution was 27.9%. Coagulase-negative Staphylococcus was the most frequently isolated microorganism. However, highly virulent agents, such as fungi and enterobacteria, were also isolated. In univariate analysis, the variable "donor antibiotic use" was significantly associated to the contamination of the preservation solution. On the other hand, multivariate analysis found statistical significance in "donor antibiotic use" and "donor's infectious complications" variables. CONCLUSIONS: In this study, 27.9% of the preservation solutions of transplant organs were contaminated. Infectious diseases and non-use of antibiotics by the donor were significantly related to the presence of microorganisms in organ preservation solutions. Contamination in organ preservation solutions was not associated with infection in the recipient.

  6. Iterative synthesis of Leishmania phosphoglycans by solution, solid-phase, and polycondensation approaches without involving any glycosylation.

    Science.gov (United States)

    Ruhela, Dipali; Vishwakarma, Ram A

    2003-05-30

    A general strategy (solution, solid-phase, and polycondensation) for the synthesis of antigenic phosphoglycans (PG) of the protozoan parasite Leishmania is presented. Phosphoglycans constitute the variable structural and functional domain of major cell-surface lipophosphoglycan (LPG) and secreted proteophosphoglycan (PPG), the molecules involved in infectivity and survival of the Leishmania parasite inside human macrophages. We have shown that the chemically labile, anomerically phosphodiester-linked phosphoglycan repeats can be assembled in an iterative and efficient manner from a single key intermediate, without involving any glycosylation steps. Furthermore, the phosphoglycan chain can be extended toward either the nonreducing (6'-OH) or the reducing (1-OH) end. We also describe a new and efficient solid-phase methodology to construct phosphoglycans based on design and application of a novel cis-allylphosphoryl solid-phase linker that enabled the selective cleavage of the first anomeric-phosphodiester linkage without affecting any of the other internal anomeric-phosphodiester groups of the growing PG chain on the solid support. The strategy to construct larger phosphoglycans in a one-pot synthesis by polycondensation of a single key intermediate is also described, enabling CD spectrometric measurements to show the helical nature of phosphoglycans. Our versatile synthetic approach provides easy access to Leishmania phosphoglycans and the opportunity to address key immunological, biochemical, and biophysical questions pertaining to the phosphoglycan family (LPG and PPG) unique to the parasite. PMID:12762750

  7. Solid-, Solution-, and Gas-state NMR Monitoring of 13C-Cellulose Degradation in an Anaerobic Microbial Ecosystem

    Directory of Open Access Journals (Sweden)

    Yasuhiro Date

    2013-07-01

    Full Text Available Anaerobic digestion of biomacromolecules in various microbial ecosystems is influenced by the variations in types, qualities, and quantities of chemical components. Nuclear magnetic resonance (NMR spectroscopy is a powerful tool for characterizing the degradation of solids to gases in anaerobic digestion processes. Here we describe a characterization strategy using NMR spectroscopy for targeting the input solid insoluble biomass, catabolized soluble metabolites, and produced gases. 13C-labeled cellulose produced by Gluconacetobacter xylinus was added as a substrate to stirred tank reactors and gradually degraded for 120 h. The time-course variations in structural heterogeneity of cellulose catabolism were determined using solid-state NMR, and soluble metabolites produced by cellulose degradation were monitored using solution-state NMR. In particular, cooperative changes between the solid NMR signal and 13C-13C/13C-12C isotopomers in the microbial degradation of 13C-cellulose were revealed by a correlation heat map. The triple phase NMR measurements demonstrated that cellulose was anaerobically degraded, fermented, and converted to methane gas from organic acids such as acetic acid and butyric acid.

  8. Ductility improvement of Mg alloys by solid solution: Ab initio modeling, synthesis and mechanical properties

    Czech Academy of Sciences Publication Activity Database

    Sandlöbes, S.; Pei, Z.; Friák, Martin; Zhu, L.-F.; Wang, F.; Zaefferer, S.; Raabe, D.; Neugebauer, J.

    2014-01-01

    Roč. 70, MAY (2014), s. 92-104. ISSN 1359-6454 Grant ostatní: GA MŠk(CZ) LM2010005 Institutional support: RVO:68081723 Keywords : Magnesium * Rare-earth elements * Ductility * Modeling * Ab initio Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 4.465, year: 2014

  9. Ab initio study of compositional trends in solid solution strengthening in metals with low Peierls stresses

    Czech Academy of Sciences Publication Activity Database

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

    2015-01-01

    Roč. 98, OCT (2015), s. 367-376. ISSN 1359-6454 Institutional support: RVO:68081723 Keywords : DFT * alloys * Mg alloys * Ni alloys * Mg basal slip Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 4.465, year: 2014

  10. Numerical solution to T-φS-CL coupling in binary dendrite solidification with any solid-back diffusion effects

    Institute of Scientific and Technical Information of China (English)

    徐达鸣; 郭景杰; 傅恒志; 苏彦庆; 李庆春

    2003-01-01

    A previous numerical solution method to the strong nonlinear T-φS-CL coupling for a Scheil-type binary solidification process was extended and modified for single-phase dendrite solidifications of any nominal alloy composition(in a composition range of single-phase or eutectic solidification) and with any solid-back diffusion extents. Numerical sample computations were performed on Al-Cu system with different nominal compositions from almost pure Al to nearly eutectic and with different solid diffusion coefficients, which are factitiously enlarged or decreased in eight orders of magnitude. The calculation results exhibit the feasibility, capability and efficiency of the proposed numerical scheme in modeling an arbitrary binary dendrite solidification problem.

  11. Evaluation and preparation of Li1+x-yNb1-x-3yTix+4yO3 solid solution with superstructure as new phosphor

    International Nuclear Information System (INIS)

    New red phosphors have been investigated in this study with europium as an activator added to Li1+x-yNb1-x-3yTix+4yO3 (LNT) solid solutions with an M Phase superstructure. The photo-luminescence intensity of LNT:Eu solid solutions was dependent on the levels of both the Eu doping and the TiO2 content, and was superior to that of LiNbO3:Eu. LNT:Eu solid solutions with 2.5 wt.% Eu2O3 showed the highest performance in this work, and maximum intensity was observed when the TiO2 content of LNT:Eu solid solutions was 10 mol.%. Structural analysis by XRD and HREM showed that in these new phosphors the M Phase superstructure was affected by the doping, with the periodicity of the superstructure becoming wider and more random.

  12. Enhanced photocatalytic degradation of 2-propanol over macroporous GaN/ZnO solid solution prepared by a novel sol-gel method

    International Nuclear Information System (INIS)

    Macroporous GaN/ZnO solid solution photocatalyst is synthesized through a novel sol-gel method under mild conditions. The performance of as-synthesized solid solution photocatalyst is evaluated for decomposition of gaseous 2-propanol (IPA). It is found that due to enhancement in both the adsorption to gaseous IPA and the absorbance to visible light, the porous GaN/ZnO solid solution exhibits a good photocatalytic performance for IPA decomposition. Moreover, the mechanism for photocatalytic degradation IPA over porous GaN/ZnO solid solution is also investigated in comparison with those for the two end materials ZnO and GaN. The trapping effects with different scavengers prove that both the photoexcited electrons and holes affect the IPA photodegradation process, simultaneously

  13. Structure and some magnetic properties of (BiFeO3x-(BaTiO31−x solid solutions prepared by solid-state sintering

    Directory of Open Access Journals (Sweden)

    Kowal Karol

    2015-03-01

    Full Text Available This paper presents the results of the study on structure and magnetic properties of the perovskite-type (BiFeO3x-(BaTiO31−x solid solutions. The samples differing in the chemical composition (x = 0.9, 0.8, and 0.7 were produced according to the conventional solid-state sintering method from the mixture of powders. Moreover, three different variants of the fabrication process differing in the temperatures and soaking time were applied. The results of X-ray diffraction (XRD, Mössbauer spectroscopy (MS, and vibrating sample magnetometry (VSM were collected and compared for the set of the investigated materials. The structural transformation from rhombohedral to cubic symmetry was observed for the samples with x = 0.7. With increasing of BaTiO3 concentration Mössbauer spectra become broadened reflecting various configurations of atoms around 57Fe probes. Moreover, gradual decreasing of the average hyperfine magnetic field and macroscopic magnetization were observed with x decreasing.

  14. Infrared and Raman spectroscopic study of the Ti1-xSn(Zr)xO2 solid solutions

    International Nuclear Information System (INIS)

    Infrared and Raman spectra of the Ti1-xSn(Zr)xO2 solid solutions have been measured as a function of x, to study the concentration dependence of optical phonons. For the TiO2-SnO2 system whose phase diagram exhibits a miscibility gap, x-ray diffraction revealed that the Ti1-xSnxO2 solid solutions are single phase (tetragonal) except some x's between 0 ≤ x ≤ 1. The 449 cm-1 A1g and 610 cm-1 Eg Raman modes for TiO2 never changed linearly in frequency and linewidth with x for Ti1-xSnxO2. On the other hand, the region of the Ti1-xZrxO2 solid solutions was limited to x ≤ 0.1 above which the second phase (TiZr)0.5O2 (orthorhombic) appeared. The 449 cm-1 Eg Raman mode for TiO2 linearly softened and broadened with increasing x, whereas the 610 cm-1 Ag mode remained unchanged in frequency and slightly broadened. Infrared-reflectance spectra representative of the A2u and Eu modes, also changed systematically with increasing x for Ti1-xSn(Zr)xO2. For both systems, it is stressed that the concentration dependence of optical phonons is associated with the force constant change of the six cation-anion bonds. As Ti4+ is replaced by Zr4+ or Sn4+ with larger ionic radius, the octahedron of TiO6 is distorted predominating the x dependence of optical phonons in Ti1-xSn(Zr)xO2; different/anisotropic compressibilities and thermal expansivities of each end member play a crucial role in the octahedral distortion. (author)

  15. Investigation on the formation of Cu–Fe nano crystalline super-saturated solid solution developed by mechanical alloying

    International Nuclear Information System (INIS)

    Highlights: ► The deformation of the mechanically alloyed Cu–Fe powder is anisotropic. ► The Rietveld method is more proper and results in smaller crystallite size than the Scherer and Williamson–Hall methods. ► A dual phase super saturated solid solution achieved after 96 h of milling of the mixtures with 30, 50 and 70 wt.% of Iron. ► A final proportion of approximately 85% FCC and 15% BCC structure obtained in all of the applied compositions. - Abstract: In this study, the formation of super saturated solid solution in the binary Cu–Fe system was investigated. Three powder blends with 30, 50 and 70 wt.% of Fe were milled for different times to 96 h. The variations of lattice parameter and inter-planar spacing were calculated and analyzed using X-ray diffraction analysis (XDA). The anisotropy of lattice deformation in the FCC phase was studied and the obtained results were compared to milled pure Cu powder. Furthermore, crystallite size was calculated using Scherer formula in comparison with Rietveld full profile refinement method. Considering the previous studies about the formation of non-equilibrium FCC and BCC phases, the phase evolution has been discussed and the proportion of each phase was calculated using Rietveld refinement method. Supplementary studies on the evolution of microstructure and formation of solid solution were carried out using high resolution transmission electron microscopy (HRTEM). Finally, high angle annular dark field (HAADF) imaging was utilized to find out the level of homogeneity in the resulting phases. While true alloying takes place in each phase, the final structure consists of both FCC and BCC nano-crystallites.

  16. K-edge XANES investigation of octakis(DMSO)lanthanoid(III) complexes in DMSO solution and solid iodides

    OpenAIRE

    D’Angelo, Paola; MIGLIORATI, VALENTINA; Spezia, Riccardo; De Panfilis, Simone; Persson, Ingmar; ZITOLO, ANDREA

    2013-01-01

    The potentiality of high energy XANES (X-ray absorption near edge structure) as a structural tool for lanthanoid-containing systems has been explored. The K-edge XANES spectra of La3+, Gd3+, and Lu3+ ions both in DMSO solution and solid octakis(DMSO) lanthanoid(III) iodides have been analysed. Although the K-edges of lanthanoids cover the energy range 38 (La) to 65 (Lu) keV, the large widths of the core hole states do not appreciably reduce the potential structural information of XANES data. ...

  17. Structural and electronic properties of zinc blend GaAs{sub 1-x}Bi{sub x} solid solutions

    Energy Technology Data Exchange (ETDEWEB)

    Abdiche, A., E-mail: abdiche_a@yahoo.f [Applied Materials Laboratory, University Research of Sidi-Bel-Abbes 22000 (Algeria); Abid, H. [Applied Materials Laboratory, University Research of Sidi-Bel-Abbes 22000 (Algeria); Riane, R. [Computational Materials Science Laboratory, University Research of Sidi-Bel-Abbes 22000 (Algeria); Bouaza, A. [Engineering Physics Laboratory, University Research of Tiaret 14000 (Algeria)

    2010-05-01

    First principles total energy calculations were carried out to investigate structural and electronic properties of zinc-blend (ZB) GaAs, GaBi and GaAs{sub 1-x}Bi{sub x} solid solutions. We have calculated lattice parameters, bulk modulus, pressure derivative and GaAs{sub 1-x}Bi{sub x} band-gap energy for zinc blend-type crystals of the compositions x=0, 0.25, 0.5, 0.75, 1. Discussions will be given in comparison with results obtained with other available theoretical and experimental results.

  18. Theoretical and experimental study of metastable solid solutions and phase stability within the immiscible Ag-Mo binary system

    Science.gov (United States)

    Sarakinos, K.; Greczynski, G.; Elofsson, V.; Magnfält, D.; Högberg, H.; Alling, B.

    2016-03-01

    Metastable solid solutions are phases that are synthesized far from thermodynamic equilibrium and offer a versatile route to design materials with tailor-made functionalities. One of the most investigated classes of metastable solid solutions with widespread technological implications is vapor deposited ternary transition metal ceramic thin films (i.e., nitrides, carbides, and borides). The vapor-based synthesis of these ceramic phases involves complex and difficult to control chemical interactions of the vapor species with the growing film surface, which often makes the fundamental understanding of the composition-properties relations a challenging task. Hence, in the present study, we investigate the phase stability within an immiscible binary thin film system that offers a simpler synthesis chemistry, i.e., the Ag-Mo system. We employ magnetron co-sputtering to grow Ag1-xMox thin films over the entire composition range along with x-ray probes to investigate the films structure and bonding properties. Concurrently, we use density functional theory calculations to predict phase stability and determine the effect of chemical composition on the lattice volume and the electronic properties of Ag-Mo solid solutions. Our combined theoretical and experimental data show that Mo-rich films (x ≥ ˜0.54) form bcc Mo-Ag metastable solid solutions. Furthermore, for Ag-rich compositions (x ≤ ˜0.21), our data can be interpreted as Mo not being dissolved in the Ag fcc lattice. All in all, our data show an asymmetry with regards to the mutual solubility of Ag and Mo in the two crystal structures, i.e., Ag has a larger propensity for dissolving in the bcc-Mo lattice as compared to Mo in the fcc-Ag lattice. We explain these findings in light of isostructural short-range clustering that induces energy difference between the two (fcc and bcc) metastable phases. We also suggest that the phase stability can be explained by the larger atomic mobility of Ag atoms as compared to that

  19. On the nature of alloying in HgTeCdTe solid solutions at low temperatures from electrode potential measurements

    Science.gov (United States)

    Yadava, R. D. S.; Warrier, A. V. R.

    1991-05-01

    Electrode potentials at HgTe, CdTe and Hg 0.8Cd 0.2Te in 0.1 M KOH solution are measured at 20°C with reference to a saturated calomel electrode. A model for the interfacial electron transfer reaction in equilibrium is proposed. An analysis is presented to show that the alloying of HgTe and CdTe at low temperatures is non-ideal. The enthalpy of formation of the x = 0.2 alloy from the pure component phases in solid state at 20°C is found to be +2.1 kcal mol -1.

  20. EuxSr1?xC2 (0 ? x ? 1): A Dicarbide Solid Solution with Perfect Vegard Behavior

    OpenAIRE

    Ruschewitz, Uwe; Link, Pascal; Wandner, Derk; Schellenberg, Inga; Pöttgen, Rainer; Paulus, Michael; Sahle, Christoph; Sternemann, Christian

    2010-01-01

    Abstract A solid solution EuxSr1?xC2 (0 ? x ? 1) was synthesized by direct reaction of the elements at 1123 K. The crystal structures of these compounds, investigated by synchrotron powder diffraction, depend upon x. For x > 0.5 the monoclinic ThC2 type structure (C2/c, Z = 4) is observed and for x ? 0.5 the ThC2 type structure coexists with the tetragonal CaC2 type structure (I4/mmm, Z = 2). The unit cell volumes per formula unit of all EuxSr1?xC2 compounds show perfect Vegard beh...

  1. Phase Stability under Irradiation of Precipitates and Solid Solutions in Model ALloys and in ODS Alloys Relevant for Gen IV

    Energy Technology Data Exchange (ETDEWEB)

    Arthur T. Motta; Robert C. Birtcher

    2007-10-17

    The overall objective of this program is to investigate the irradiation-altered phase stability of oxide precipitates in ODS steels and of model alloy solid solutions of associated systems. This information can be used to determine whether the favorable mechanical propertiies of these steels are maintained under irradiation, thus addressing one of the main materials research issues for this class of steels as identified by the GenIV working groups. The research program will also create fundamental understanding of the irradiation precipitation/dissolution problem by studying a "model" system in which the variables can be controlled and their effects understood individually.

  2. Synthesis, sintering and dissolution of thorium and uranium (IV) mixed oxide solid solutions: influence of the method of precursor preparation

    International Nuclear Information System (INIS)

    Mixed actinide dioxides are currently considered as potential fuels for the third and fourth generations of nuclear reactors. In this context, thorium-uranium (IV) dioxide solid solutions were studied as model compounds to underline the influence of the method of preparation on their physico-chemical properties. Two methods of synthesis, both based on the initial precipitation of oxalate precursors have been developed. The first consisted in the direct precipitation ('open' system) while the second involved hydrothermal conditions ('closed' system). The second method led to a significant improvement in the crystallization of the samples especially in the field of the increase of the grain size. In these conditions, the formation of a complete solid solution Th1-xUx(C2O4)2.2H2O was prepared between both end-members. Its crystal structure was also resolved. Whatever the initial method considered, these compounds led to the final dioxides after heating above 400 C. The various steps associated to this transformation, involving the dehydration of precursors then the decomposition of oxalate groups have been clarified. Moreover, the use of wet chemistry methods allowed to reduce the sintering temperature of the final thorium-uranium (IV) dioxide solid solutions. Whatever the method of preparation considered, dense samples (95% to 97% of the calculated value) were obtained after only 3 hours of heating at 1500 C. Additionally, the use of hydrothermal conditions significantly increased the grain size, leading to the reduction of the occurrence of the grain boundaries and of the global residual porosity. The significant improvement in the homogeneity of cations distribution in the samples was also highlighted. Finally, the chemical durability of thorium-uranium (IV) dioxide solid solutions was evaluated through the development of leaching tests in nitric acid. The optimized homogeneity especially in terms of the cations distribution, allowed to limit the influence of the

  3. Effect of infrared irradiation on the surface properties of CdxHg1-xTe solid solutions

    International Nuclear Information System (INIS)

    Effect of photoelectrically active IR-irradiation on the state of the CdxHg1-xTe (x=0.21-0.22) solid solution surfaces is studied. The summary adsorption activity of the system samples decreases on the account of the photodesorption of weakly-bound molecules. Of is shown that by multiple irradiation of the samples there takes place creation of additional structural defects, acting as the electrons donors and acceptors, and accordingly the radicals discharge and ionization, formed during the process

  4. Effective scintillation materials based on solid solutions ZnS1–xTex and perspectives of their application

    Directory of Open Access Journals (Sweden)

    Katrunov K. A.

    2011-04-01

    Full Text Available The optimal technological regime of formation ZnS1–xTex solid solution at spacing 0,0≤х≤0,1 has been determined, and has been shown that fritting in hydrogen atmosphere results in more rapid reaction in comparison to argon due to chemical-thermal etching the ZnO layer out. Further annealing in the inert Ar atmosphere leads to the increase of the light output, to the intensive emission band formation and causes afterglow level reduction and the crystalline lattice rearrangement.

  5. The Phase Transformations and Magnetoresistive Properties of Diluted Film Solid Solutions Based on Fe and Ge Atoms

    Directory of Open Access Journals (Sweden)

    O.V. Vlasenko

    2014-06-01

    Full Text Available In the article, the structure, phase composition and magnetoresistive properties of single- and three-layer films based on Fe and Ge were studied. It is established that in such films eutectic is formed based on diluted solid solutions of Ge atoms in -Fe layers and of Fe atoms in -Ge layers at the total concentration of Ge atoms from 3 to 20 at.% in the temperature range of 300-870 K. It is shown that magnetoresistive properties of the films with eutectic composition are not significantly different from the properties of -Fe films.

  6. Laminating solution-processed silver nanowire mesh electrodes onto solid-state dye-sensitized solar cells

    KAUST Repository

    Hardin, Brian E.

    2011-06-01

    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 controls; however, AgNW ss-DSC devices consistently had higher fill factors (0.6 versus 0.69), resulting in comparable power conversion efficiencies (2.7%) compared to thermally evaporated Ag control (2.8%). Laminated Ag NW electrodes enable higher throughput manufacturing and near unity material usage, resulting in a cheaper alternative to thermally evaporated electrodes. © 2011 Elsevier B.V. All rights reserved.

  7. Partitioning of organic matter and heavy metals in a sandy soil: Effects of extracting solution, solid to liquid ratio and pH

    NARCIS (Netherlands)

    Fest, P.M.J.; Temminghoff, E.J.M.; Comans, R.N.J.; Riemsdijk, van W.H.

    2008-01-01

    In sandy soils the behavior of heavy metals is largely controlled by soil organic matter (solid and dissolved organic matter; SOC and DOC). Therefore, knowledge of the partitioning of organic matter between the solid phase and soil solution is essential for adequate predictions of the total dissolve

  8. Preparation and study of physicochemical properties of solid solutions CuInSe2xTe2(1-x)

    International Nuclear Information System (INIS)

    By the methods of differential thermal and X-ray phase analyses phase diagram of the system CuInTe2 - CuInSe2 has been plotted for the first time, its thermodynamic analysis being carried out. Existence of solid solutions over the whole range of concentrations is ascertained. Results of complex study of physicochemical properties (unit cell parameters, density, microhardness) of CuInSe2Te2(1-x) solid solutions are presented

  9. Morphological stability of the solid‒liquid interface during melt crystallization of Pb1- x Cd x F2 solid solution

    Science.gov (United States)

    Fedorov, P. P.; Buchinskaya, I. I.; Chernova, E. V.

    2016-05-01

    The stability function of the solid‒liquid interface for PbF2-CdF2 solid solution with respect to constitutional supercooling is calculated using the phase diagram of the system. The calculated curve is typical of the systems with continuous solid solutions, having minima points in the liquidus and solidus curves. This dependence can be used to estimate the technological parameters of the process which are required for growing crystals with the high optical quality.

  10. Physicochemical properties of Yb14MnSb11 and its solid solutions with terbium Yb14-xTbxMnSb11

    International Nuclear Information System (INIS)

    This article is devoted to physicochemical properties of Yb14MnSb11 and its solid solutions with terbium Yb14-xTbxMnSb11. Therefore, the structure, melting temperatures, density, thermal expansion of Yb14MnSb11 and its solid solutions were studied. Thermal stability was studied by means of thermo microscopic thermal analysis. Obtained incongruent melting point was considered.

  11. Kinetics of photochromic processes in substituted dihydropyridines in the solid state and in solution

    Czech Academy of Sciences Publication Activity Database

    Sworakowski, J.; Nešpůrek, Stanislav; Lipinski, J.; Lewanowicz, A.; Sliwinska, E.

    2001-01-01

    Roč. 356, - (2001), s. 163-173. ISSN 1058-725X. [International Conference on the Chemistry of the Organic Solid State /14./. Cambridge, 25.07.1999-30.07.1999] R&D Projects: GA AV ČR IAA1050901; GA AV ČR KSK4050111 Institutional research plan: CEZ:AV0Z4050913 Keywords : dihydropyridine * photochromism * reaction kinetics Subject RIV: CD - Macromolecular Chemistry Impact factor: 0.457, year: 2001

  12. Dynamical coupling in Pb(Zr,Ti)O.sub.3./sub. solid solutions from first principles

    Czech Academy of Sciences Publication Activity Database

    Wang, D.; Weerasinghe, J.; Bellaiche, L.; Hlinka, Jiří

    2011-01-01

    Roč. 83, č. 2 (2011), "020301-1"-"020301-4". ISSN 1098-0121 R&D Projects: GA MŠk ME08109 Institutional research plan: CEZ:AV0Z10100520 Keywords : first-principles * ferroelectric * PZT Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.691, year: 2011 http://link.aps.org/doi/10.1103/PhysRevB.83.020301

  13. Comparison of thermally activated overcoming of barriers in creep of aluminum and its solid solutions

    Czech Academy of Sciences Publication Activity Database

    Dobeš, Ferdinand; Milička, Karel

    387ů389, - (2004), 595ů598. ISSN 0921-5093. [International Conference on the Strength of Materials /13./. Budapest, 25.08.2003-30.08.2003] R&D Projects: GA AV ČR IAA2041202; GA AV ČR IAA2041203 Institutional research plan: CEZ:AV0Z2041904 Keywords : creep * thermal activation * dislocation density Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.445, year: 2004

  14. Lixiviation of plutonium contaminated solid wastes by aqueous solution of electro-generated reducing agents

    International Nuclear Information System (INIS)

    This study concerns the development of the new concept for the decontamination of plutonium bearing solid wastes, based on the lixiviation of the wastes using electro-generated reducing agents. First, a comparative study of the kinetics of the dissolution of pure PuO2 (prepared by calcination of Pu (IV) oxalate at 450 C) in sulfuric acid media, with different reducing agents, was realized. Qualitatively these reagents can be sorted in three groups: 1 / fast kinetics for Cr(II), V(II) and U(III); 2 / slow kinetics for Ti(III); 3 / very slow kinetics for V(III) and U(VI). In order to contribute to the design of an electrochemical reactor for the generation of the reducing agents usable for the lixiviation of plutonium bearing solid wastes, the study of the diffusion coefficients of both oxidized and reduced forms of different redox couples, at different temperatures, was undertaken. The results of this study also permits, from the knowledge of the diffusional activation energy of the ions, to conclude that the dissolution of pure plutonium dioxide under the action of these reducing agents is not diffusion limited. The feasibility of the plutonium decontamination treatment of synthetic or real solid wastes was then studied at laboratory scale using electro-generated V(II), which is with Cr(II) among the best reagents. The efficiency of the treatment was good, (80 pc Pu solubilisation yield), especially in the case of cellulosic or miscellaneous organic wastes. (author)

  15. Reactivity of Mg-Al hydrotalcites in solid and delaminated forms in ammonium carbonate solutions

    Science.gov (United States)

    Stoica, Georgiana; Santiago, Marta; Abelló, Sònia; Pérez-Ramírez, Javier

    2010-10-01

    Treatment of Mg-Al hydrotalcites (LDHs, layered double hydroxides) in aqueous (NH 4) 2CO 3 at 298 K leads to composites of dawsonite, hydrotalcite, and magnesium ammonium carbonate. The mechanism and kinetics of this transformation, ultimately determining the relative amounts of these components in the composite, depend on the treatment time (from 1 h to 9 days), the Mg/Al ratio in the hydrotalcite (2-4), and on the starting layered double hydroxide (solid or delaminated form). The materials at various stages of the treatment were characterized by inductive coupled plasma-optical emission spectroscopy, X-ray diffraction, transmission electron microscopy, infrared spectroscopy, thermogravimetry, and nitrogen adsorption at 77 K. The progressive transformation of hydrotalcite towards crystalline dawsonite and magnesium ammonium carbonate phases follows a dissolution-precipitation mechanism. A gradual decrease of the Mg/Al ratio in the resulting solids was observed in time due to magnesium leaching in the reacting medium. Dawsonite-hydrotalcite composite formation is favored at high aluminum contents in the starting hydrotalcite, while the formation of magnesium ammonium carbonate is favored at high Mg/Al ratios. The synthetic strategy comprising hydrotalcite delamination in formamide prior to aqueous (NH 4) 2CO 3 treatment is more reactive towards composite formation than starting from the bulk solid hydrotalcite.

  16. Creation of Novel Solid-Solution Alloy Nanoparticles on the Basis of Density-of-States Engineering by Interelement Fusion.

    Science.gov (United States)

    Kobayashi, Hirokazu; Kusada, Kohei; Kitagawa, Hiroshi

    2015-06-16

    Currently 118 known elements are represented in the periodic table. Of these 118 elements, only about 80 elements are stable, nonradioactive, and widely available for our society. From the viewpoint of the "elements strategy", we need to make full use of the 80 elements to bring out their latent ability and create innovative materials. Furthermore, there is a strong demand that the use of rare or toxic elements be reduced or replaced while their important properties are retained. Advanced science and technology could create higher-performance materials even while replacing or reducing minor or harmful elements through the combination of more abundant elements. The properties of elements are correlated directly with their electronic states. In a solid, the magnitude of the density of states (DOS) at the Fermi level affects the physical and chemical properties. In the present age, more attention has been paid to improving the properties of materials by means of alloying elements. In particular, the solid-solution-type alloy is advantageous because the properties can be continuously controlled by tuning the compositions and/or combinations of the constituent elements. However, the majority of bulk alloys are of the phase-separated type under ambient conditions, where constituent elements are immiscible with each other. To overcome the challenge of the bulk-phase metallurgical aspects, we have focused on the nanosize effect and developed methods involving "nonequilibrium synthesis" or "a process of hydrogen absorption/desorption". We propose a new concept of "density-of-states engineering" for the design of materials having the most desirable and suitable properties by means of "interelement fusion". In this Account, we describe novel solid-solution alloys of Pd-Pt, Ag-Rh, and Pd-Ru systems in which the constituent elements are immiscible in the bulk state. The homogeneous solid-solution alloys of Pd and Pt were created from Pd core/Pt shell nanoparticles using a

  17. Role of the chemical substitution on the luminescence properties of solid solutions Ca(1−x)Cd(x)WO4 (0 ≤ x ≤1)

    International Nuclear Information System (INIS)

    Highlights: • Luminescence can be modified by chemical substitution in solid solutions Ca1−xCdxWO4. • The various emission spectra (charge transfer) were obtained under X-ray excitation. • Scheelite or wolframite solid solutions presented two types of emission spectra. • A luminescence component depended on cadmium substitution in each solid solution. • A component was only characteristic of oxyanion symmetry in each solid solution. - Abstract: We have investigated the chemical substitution effects on the luminescence properties under X-ray excitation of the solid solutions Ca(1−x)Cd(x)WO4 with 0 ≤ x ≤ 1. Two types of wide spectral bands, associated with scheelite-type or wolframite-type solid solutions, have been observed at room temperature. We decomposed each spectral band into several spectral components characterized by energies and intensities varying with composition x. One Gaussian component was characterized by an energy decreasing regularly with the composition x, while the other Gaussian component was only related to the tetrahedral or octahedral configurations of tungstate groups WO42− or WO66−. The luminescence intensities exhibited minimum values in the composition range x < 0.5 corresponding to scheelite-type structures, then, they regularly increased for cadmium compositions x > 0.5 corresponding to wolframite-type structures

  18. Sonochemical synthesis of Cd1−xZnxS solid solutions for application in photocatalytic reforming of glycerol to produce hydrogen

    International Nuclear Information System (INIS)

    A simple sonochemical method for the preparation of Cd1−xZnxS solid solutions was successfully applied. The sonochemical method has shown to be fast, with low energy demand and allowed to obtain nano-sized particles. The obtained materials were characterized by XRD, EDX, SEM and DRS UV/vis. The Pt-loaded photocatalysts were evaluated in photoinduced reforming of glycerol under visible light irradiation (λ > 418 nm). Pure CdS and solid solutions obtained by sonochemical method have shown photocatalytic activity with respect to hydrogen gas production. The maximum hydrogen evolution rate achieved was 239 μmol g−1 h−1, when the solid solution Cd0.6Zn0.4S contaminated with γ-Zn(OH)2 was irradiated with visible light. - Highlights: • Cd1−xZnxS solid solutions were successfully prepared by a sonochemical method. • The solid solutions are active in photocatalytic reforming of glycerol. • The solid solution Cd0.6Zn0.4S contaminated with γ-Zn(OH)2 was the more active photocatalyst

  19. The Modelling of the Solids Solution Formation Process in Systems In2O3-HfO2 at Heating in Air

    Directory of Open Access Journals (Sweden)

    A.E. Soloviova

    2010-01-01

    Full Text Available The ionic radiuses for cations, namely, for indium, hafnium, anion, and anion vacancy on the Templiton and Dauben scale, were calculated based on the mathematical models of the solid solution formation in In2O3-HfO2 system. The phase transition in indium oxide, which is connected with disorder of anion vacancies in the C-type lattice, was revealed. The formation of solid solutions in In2O3-HfO2 system occurs based on the disordered C1-type phase of indium oxide. It was established that the limited solid solutions of the subtraction-substitution and subtraction-substitution-interstitial types are formed during the sample sintering at 1450 °C and 1600 °C in the air medium. The type of solid solution in In2O3-HfO2 system depends on the sizes of indium and hafnium cations. The solid-solution formation energies in the system were determined. It was found that the conductivity, concentration and charge carrier mobility depend on the solid solution type and not on the cation valence of dissolved impurity

  20. Sonochemical synthesis of Cd{sub 1−x}Zn{sub x}S solid solutions for application in photocatalytic reforming of glycerol to produce hydrogen

    Energy Technology Data Exchange (ETDEWEB)

    Lopes, Paula A.L., E-mail: paulaaparecida_lopes@hotmail.com [Instituto de Química, Universidade Federal da Bahia, Campus de Ondina, 40170-115 Salvador, BA (Brazil); Mascarenhas, Artur J.S., E-mail: artur@ufba.br [Instituto de Química, Universidade Federal da Bahia, Campus de Ondina, 40170-115 Salvador, BA (Brazil); Instituto Nacional de Ciência e Tecnologia, INCT, de Energia e Ambiente, Universidade Federal da Bahia, 40170-290 Salvador, BA (Brazil); Silva, Luciana A., E-mail: las@ufba.br [Instituto de Química, Universidade Federal da Bahia, Campus de Ondina, 40170-115 Salvador, BA (Brazil); Instituto Nacional de Ciência e Tecnologia, INCT, de Energia e Ambiente, Universidade Federal da Bahia, 40170-290 Salvador, BA (Brazil)

    2015-11-15

    A simple sonochemical method for the preparation of Cd{sub 1−x}Zn{sub x}S solid solutions was successfully applied. The sonochemical method has shown to be fast, with low energy demand and allowed to obtain nano-sized particles. The obtained materials were characterized by XRD, EDX, SEM and DRS UV/vis. The Pt-loaded photocatalysts were evaluated in photoinduced reforming of glycerol under visible light irradiation (λ > 418 nm). Pure CdS and solid solutions obtained by sonochemical method have shown photocatalytic activity with respect to hydrogen gas production. The maximum hydrogen evolution rate achieved was 239 μmol g{sup −1} h{sup −1}, when the solid solution Cd{sub 0.6}Zn{sub 0}.{sub 4}S contaminated with γ-Zn(OH){sub 2} was irradiated with visible light. - Highlights: • Cd{sub 1−x}Zn{sub x}S solid solutions were successfully prepared by a sonochemical method. • The solid solutions are active in photocatalytic reforming of glycerol. • The solid solution Cd{sub 0.6}Zn{sub 0.4}S contaminated with γ-Zn(OH){sub 2} was the more active photocatalyst.

  1. Effect of solid-solution temperature on the microstructure of Fe-Ni based high strength low thermal expansion (HSLTE) alloy

    Institute of Scientific and Technical Information of China (English)

    Yifan Tu; Jin Xu; Jianfu Zhang; Boping Zhang; Dongliang Zhao

    2007-01-01

    The influence of solid-solution temperature on the dissolution of carbide precipitates,the average grain size and the microhardness of the austenite matrix in an Fe-Ni based high strength low thermal expansion (HSLTE) alloy was investigated to obtain the proper temperature range of the solid-solution process.The XRD analysis,microstructure observations,and the theoretical calculations showed that the Mo-rich M2C-type precipitates in the Fe-Ni based HSLTE alloy dissolve completely at about 1100 ℃.The average grain size of the studied alloys increases from 14 to 46 μm in the temperature range of 1050 to 1200 ℃.The microhardness of the matrix decreases first for the sake of solid-solution treatment,but then increases later with increasing solution temperature because of the solution strengthening effect.

  2. Visible-light-driven photocatalytic performance of nitrogen-doped Ti1−xZrxO2 solid solution

    International Nuclear Information System (INIS)

    Graphical abstract: Display Omitted Highlights: ► Dual modifications on the energy band of TiO2 are achieved by N and Zr co-doping. ► Nitrogen and zirconium dopants have different doping positions in the catalyst. ► A synergic impact of nitrogen and zirconium on photocatalytic activity is observed. ► A mechanism for the high performance of nitrogen-doped Ti1−xZrxO2 solid solution is proposed. -- Abstract: Nitrogen-doped Ti1−xZrxO2 solid solutions have been synthesized by a multi-step sol–gel process followed by hydrothermal treatment in ammonia solution. XRD, XPS and UV–vis diffuse reflectance analyses indicated that nitrogen was doped in the surface layer of catalyst, introducing surface states located close to valence band. However, Zr4+ was successfully incorporated into the bulk lattice of TiO2 so as to induce the up-shift of conduction band. Compared to pristine TiO2 and nitrogen-doped TiO2, nitrogen-doped Ti1−xZrxO2 exhibited much higher efficiency for the degradation of Acid Red 88 solution and gaseous benzene under visible light irradiation, attributed to the synergetic effect of nitrogen and zirconium on the energy band. Specifically, the presence of surface states in the band gap enabled the extended visible light response and the up-shift of conduction band facilitated the excited electron interfacial transfer and hence suppressed efficiently the recombination of charge carriers.

  3. Crystal Ice Formation of Solution and Its Removal Phenomena From Cooled Solid Surface

    Science.gov (United States)

    Hirata, Tetsuo; Ishikawa, Masaaki; Nagasaka, Kouji

    Experimental studies for freezing phenomena of ethylene glycol solution on cooled plate have been performed. A polyvinyl chloride as well as an acrylic resin plates are used for the cooled plates. It is found that the crystal ice formed at the cooled plate is removed from the plate due to buoyancy force acting the crystal ice. It means that ice formation on a cooled plate without deposit ice layer is possible by the present method. It is shown that the cooled plate surface is under cooled about 1.0~1.5 degree below the freezing temperature of the solution during the crystal ice formation and its removal phenomena. The degree of under cooled temperature is unaffected by the cooling temperature of the plate. For higher concentration of solution, it is found that the number of the removed crystal ice per unit time is increased and the volume of each removed ice is decreased.

  4. Low temperature preparation of nanocrystalline solid solution of strontium barium niobate by chemical process

    Indian Academy of Sciences (India)

    Asit B Panda; Amita Pathak; Panchanan Pramanik

    2002-11-01

    SrBa1–Nb2O6 (with = 0.4, 0.5 and 0.6) powders have been prepared by thermolysis of aqueous precursor solutions consisting of triethanolamine (TEA), niobium tartarate and, EDTA complexes of strontium and barium ions. Complete evaporation of the precursor solution by heating at ∼ 200°C, yields in a fluffy, mesoporous carbon rich precursor material, which on calcination at 750°C/2 h has resulted in the pure SBN powders. The crystallite and average particle sizes are found to be around 15 nm and 20 nm, respectively.

  5. Dislocation glide in Ni-Al solid solutions from the atomic scale up: a molecular dynamics study; Etude du glissement des dislocations dans la solution solide Ni-Al par simulation a l'echelle atomique

    Energy Technology Data Exchange (ETDEWEB)

    Rodary, E

    2003-01-01

    The glide of an edge dislocation in solid solutions is studied by molecular dynamics, at fixed temperature and imposed external stress. We have optimized an EAM potential for Ni(1 a 8% A1): it well reproduces the lattice expansion, local atomic order, stacking fault energy as a function of composition, as well as the elastic properties of the {gamma}' phase with L1{sub 2} structure. On increasing the stress, the dislocation is first immobile, then glides with a velocity proportional to the stress and the velocity saturates on reaching the transverse sound velocity. However, only beyond a static threshold stress, {sigma}{sub s}, does the dislocation glide a distance large enough to allow macroscopic shear; the linear part of the velocity-stress curve extrapolates to zero at a dynamical threshold stress, {sigma}{sub d}, The friction coefficient, and the threshold stresses ({sigma}{sub s} and {sigma}{sub d}), increase with the A1 concentration and decrease with temperature (300 and 500 K). Close to the critical shear stress, {sigma}{sub s}, the dislocation glide is analysed with a 'stop and go' model. The latter yields the flight velocity between obstacles, the mean obstacle density and the distribution of the waiting time on each obstacle as a function of stress, composition and temperature. The obstacle to the glide is proposed to be the strong repulsion between Al atoms brought into nearest neighbour position by the glide process, and not the dislocation-solute interaction. The microscopic parameters so defined are introduced into a micro-mechanical model, which well reproduces the known behaviour of nickel base solid solutions. (author)

  6. α self-irradiation effects in U1-xAmxO2±δ solid solutions monitored by XRD: Preliminary results

    International Nuclear Information System (INIS)

    Five U1-xAmxO2±δ homogeneous solid solutions (with 0.075 ≤ x ≤ 0.49) were successfully produced using solid state reactions. The evolution of the lattice parameter of these solid solutions under self-irradiation was monitored by regular XRD analysis and this paper presents the first conclusive results obtained for the U0.925Am0.075O2±δ and U051Am0.49O2±δ samples. (author)

  7. Nonlinear photoluminescence of graded band-gap Al sub x Ga sub 1 sub - sub x As solid solutions

    CERN Document Server

    Kovalenko, V F; Shutov, S V

    2002-01-01

    The dependence of the photoluminescence (PL) intensity of undoped and doped graded band-gap Al sub x Ga sub 1 sub - sub x As (x <= 0.36) solid solutions on the excitation level J (1 x 10 sup 1 sup 9 <= J <= 1 x 10 sup 2 sup 2 quantum cm sup - sup 2 s) for different values of built-in quasi-electrical field E (85 <= E <= 700 V/cm) has been studied. It is found that the dependence of the near-band-edge PL intensity I in the excitation level J at an accelerating action of the field E has a complex character. The nonlinearity of I(J) dependence is explained by contribution of the two-photon absorption of the radiating recombination in the process of its remission. The optimum range of E values (120 <= E <= 200 V/cm) providing the greatest contribution of the two-photon absorption in the reemission in undoped solid solutions is determined

  8. Knudsen cell-mass spectroscopic studies of strontium vapour pressures over strontium oxide/uranium dioxide mixtures and solid solutions

    International Nuclear Information System (INIS)

    High temperature, Knudsen cell-mass spectroscopic (KC-MS) experiments were performed to determine the volatility of strontium oxide dissolved in UO2 fuel. KC-MS experiments were carried out with finely ground and pre-heated mixtures of SrO and UO2 and 'solid solutions' of SrO in UO2, prepared using the sob-gel method. It was found that the main strontium gaseous species over these samples was Sr atoms. The KC-MS experiments showed that the vapour pressures of Sr over pre-heated-mixtures of SrO and UO2, at high temperatures, were similar to those over pure SrO. The vapour pressures of Sr, over 'sol-gel prepared solid solutions' of compositions SrO:UO2 equal to 1:100 and 2:100 were similar to each other and to those reported over pure SrO by Lamoreaux et al. (for congruent vapourization); but were lower than those over pure SrO observed in this work, and over SrUO3 reported by Huang et al. and Yamawaki et al. (author)

  9. Synthesis of β-phase Ag1-xCuxI (x = 0-0.5) solid solutions nanocrystals

    International Nuclear Information System (INIS)

    Research highlights: → Wet-chemical-chelating reaction processing has been used to synthesized A series of single β-phase nano-Ag1-xCuxI (x = 0-0.5) solid solutions powders. → Citric acid as complexing agent takes part in the process of chemical reaction and the chemical reactions can be described in this paper. → The lattice parameters have been ascertained by the results of XRD. → Crystalline sizes, which decrease with copper iodide concentration increasing, have been demonstrated by XRD and TEM. -- Abstract: A series of single β-phase nano-Ag1-xCuxI (x = 0-0.5) solid solutions powders were synthesized by wet-chemical-chelating reaction processing and citric acid used as complexing agent. The Ag1-xCuxI powders were determined by X-ray diffraction and transmission electron microscopy. It was demonstrated that the crystalline size and lattice parameter of the Ag1-xCuxI powders decrease with an increase in the amount of CuI substitution. The copper in the lattice of the Ag1-xCuxI can effectively prevent the crystalline growth of the Ag1-xCuxI powders and citrate used in the Ag1-xCuxI powders synthesized process can accelerate single β-phase crystalline structure formation.

  10. Self-assembly of PEGylated tetra-phenylalanine derivatives: structural insights from solution and solid state studies.

    Science.gov (United States)

    Diaferia, Carlo; Mercurio, Flavia Anna; Giannini, Cinzia; Sibillano, Teresa; Morelli, Giancarlo; Leone, Marilisa; Accardo, Antonella

    2016-01-01

    Water soluble fibers of PEGylated tetra-phenylalanine (F4), chemically modified at the N-terminus with the DOTA chelating agent, have been proposed as innovative contrast agent (CA) in Magnetic Resonance Imaging (MRI) upon complexation of the gadolinium ion. An in-depth structural characterization of PEGylated F4-fibers, in presence (DOTA-L6-F4) and in absence of DOTA (L6-F4), is reported in solution and at the solid state, by a multiplicity of techniques including CD, FTIR, NMR, DLS, WAXS and SAXS. This study aims to better understand how the aggregation process influences the performance of nanostructures as MRI CAs. Critical aggregation concentrations for L6-F4 (43 μM) and DOTA-L6-F4 (75 μM) indicate that self-aggregation process occurs in the same concentration range, independently of the presence of the CA. The driving force for the aggregation is the π-stacking between the side chains of the aromatic framework. CD, FTIR and WAXS measurements indicate an antiparallel β-sheet organization of the monomers in the resulting fibers. Moreover, WAXS and FTIR experiments point out that in solution the nanomaterials retain the same morphology and monomer organizations of the solid state, although the addition of the DOTA chelating agent affects the size and the degree of order of the fibers. PMID:27220817

  11. Magnetic and structural properties of the 'brown phase' solid solution Ba(Nd2-xLax)CuO5

    International Nuclear Information System (INIS)

    The compounds BaR2CuO5 (R=Y and lanthanides) are well-known impurities that often coexist with the high Tc superconductors, Ba2RCu3O6+x. With R=La and Nd, brown color solid solutions (Ba1+xR2-xCuO5-x) form instead of the 'green phase', BaR2CuO5 (lanthanides with ionic radii smaller than that of Sm). A complete solid solution of Ba(Nd2-xLax)CuO5 exists with the tetragonal space group P4/mbm. Crystallographic studies of selected members (x=0.2, 0.6, 1.2, and 1.6) by X-ray Rietveld refinement technique showed the structure consists of RO8 and BaO10 cages, and square planar CuO4 units. As x increases in Ba(Nd2-xLax)CuO5, the size of these RO8 and BaO10 cages increases. BaLa2CuO5 was confirmed to be ferromagnetic at ∼5 K; despite the isostructural property of BaLa2CuO5 and BaNd5CuO5, the Nd-analog was found to be antiferromagnetic. As x in Ba(Nd2-xLax)CuO5 increases between 0 and 2, the amount of ferromagnetism increases

  12. Zirconia-ceria solid solution synthesis and the temperature-time-transformation diagram for the 1:1 composition

    International Nuclear Information System (INIS)

    Zirconia-ceria solid solutions of tetragonal symmetry (t'-ZrO2) containing 30 to 65 mol% ceria were prepared by annealing c'-ZrO2 at 627C samples sintered at 1,660-1,760C, where c'-ZrO2 is defined as a cubic or tetragonal phase whose axial ratio c/a (tetragonality) is equal to 1. The lattice parameters and the cube root of the unit cell volumes of the annealed samples increased linearly with the ceria content but, on the other hand, the axial ratio c/a (tetragonality) decreased to 1.000 at 70 mol%. During the annealing of each sample, the cell volume decreased because the residual Ce3+ ions were oxidized to the smaller Ce4+. The temperature-time-transformation (TTT) diagram of the 1:1 solid solution was investigated for the c' - t' diffusionless phase transition and the c'- (t + c) diffusional reaction. The c' - t' transformation was found to behave as a thermally activated process with an activation energy estimated to be 113 kJ/mol. This value may indicate that c' - t' transformation is controlled by oxygen diffusion accompanied by dimensional changes of the cerium ions

  13. Large shift in the photoluminescent properties of Mn 2+ -doped nanosized CdS-ZnS solid solutions

    Science.gov (United States)

    Arora, Sonia; Sundar Manoharan, S.

    2007-11-01

    Crystal field dependence of Mn 2+ ( 4T 1→ 6A 1) emission shows a large shift (˜100 nm) in the Photoluminescent features, sensitive to either Zn or Cd rich, solid solutions of CdS-ZnS prepared via a novel microwave-assisted synthesis. Cd 2+ excess composition viz., Cd 0.54Zn 0.45Mn 0.01S shows a structured emission between 380 and 500 nm, while a Zn 2+ excess composition such as Cd 0.48Zn 0.51Mn 0.01S shows a red-shifted featureless broad emission at 505 nm (with FWHM ˜80 nm). The emission features of the Cd 2+ excess composition occur from trap levels and quantized midgap states arising from ZnS-CdS bandgap. For a marginal increase in Mn concentration from 1% to 2%, a substantial broadening in emission leading to white light is observed in relatively Zn deficient solid solution.

  14. Thermodynamic and mechanical properties of Ce1-xHfxO2 (x=0-0.10) solid solutions

    International Nuclear Information System (INIS)

    Thermal expansion and mechanical properties of Ce1-xHfxO2 (x=0-0.10) solid solutions were measured from 100 to 850 K by TMA and from 180 to 303 K by ultrasonic pulse methods, as a function of temperature and hafnium concentration. Using these measured values and reported specific heat capacities (Cp) at 298.15 K, Grueneisen parameters (γ) of Ce1-xHfxO2 were calculated from the thermodynamic relation γ=3αVKa/Cp. Then heat capacities Cp of Ce1-xHfxO2 (x=0-0.10) at temperatures from 150 to 800 K were calculated by using the equation Cp=3αVKa/γ. The calculated Cp of undoped CeO2 was in reasonable agreement with the reported value over a wide temperature range. Thus, it seems to be reasonable to derive heat capacities of Ce1-xHfxO2 solid solutions as well as CeO2 by using this method

  15. Combined solid state and solution NMR studies of {alpha},{epsilon}-{sup 15}N labeled bovine rhodopsin

    Energy Technology Data Exchange (ETDEWEB)

    Werner, Karla; Lehner, Ines [Johann Wolfgang Goethe-Universitaet Frankfurt, Center for Biomolecular Magnetic Resonance (Germany); Dhiman, Harpreet Kaur [University of Pittsburgh School of Medicine, Department of Structural Biology (United States); Richter, Christian; Glaubitz, Clemens; Schwalbe, Harald, E-mail: schwalbe@nmr.uni-frankfurt.de; Klein-Seetharaman, Judith [Johann Wolfgang Goethe-Universitaet Frankfurt, Center for Biomolecular Magnetic Resonance (Germany); Khorana, H. Gobind [Massachusetts Institute of Technology, Departments of Biology and Chemistry (United States)], E-mail: khorana@mit.edu

    2007-04-15

    Rhodopsin is the visual pigment of the vertebrate rod photoreceptor cell and is the only member of the G protein coupled receptor family for which a crystal structure is available. Towards the study of dynamics in rhodopsin, we report NMR-spectroscopic investigations of {alpha},{epsilon}-{sup 15}N-tryptophan labeled rhodopsin in detergent micelles and reconstituted in phospholipids. Using a combination of solid state {sup 13}C,{sup 15}N-REDOR and HETCOR experiments of all possible {sup 13}C'{sub i-1} carbonyl/{sup 15}N{sub i}-tryptophan isotope labeled amide pairs, and H/D exchange {sup 1}H,{sup 15}N-HSQC experiments conducted in solution, we assigned chemical shifts to all five rhodopsin tryptophan backbone {sup 15}N nuclei and partially to their bound protons. {sup 1}H,{sup 15}N chemical shift assignment was achieved for indole side chains of Trp35{sup 1.30} and Trp175{sup 4.65}. {sup 15}N chemical shifts were found to be similar when comparing those obtained in the native like reconstituted lipid environment and those obtained in detergent micelles for all tryptophans except Trp175{sup 4.65} at the membrane interface. The results suggest that the integrated solution and solid state NMR approach presented provides highly complementary information in the study of structure and dynamics of large membrane proteins like rhodopsin.

  16. Magnetism in some UCo1/3T2/3Al solid solutions (T=transition metal)

    International Nuclear Information System (INIS)

    We report on the magnetic properties of UCo1/3T2/3Al (T=Ru, Rh, Pt) solid solutions which form in the hexagonal ZrNiAl structure. We performed neutron diffraction and bulk magnetization studies. All three solid solutions exhibit long-range magnetic order at low temperatures. Bulk magnetization studies indicate a ferromagnetic ground state for UCo1/3Ru2/3Al, UCo1/3Rh2/3Al, and UCo1/3Pt2/3Al below 42, 41, and 27 K, respectively. At 4.2 K, the spontaneous moment ranges from ∼0.15 μB/U-atom (UCo1/3Ru2/3Al) to ∼0.49μB/U-atom (UCo1/3Pt2/3Al). Below TC, we find additional weak magnetic contributions in the neutron diffraction data, and our refinement is consistent with magnetic moments along the c axis. The magnitudes of the moments are in good agreement with the spontaneous moments determined from bulk studies. The results are discussed in terms of f-d hybridization, which is modified by changes in the d band occupation and preferential occupation of the transition metals within the lattice. (c) 2000 American Institute of Physics

  17. Synthesis of pyridine- and pyrazine-BF3 complexes and their characterization in solution and solid state.

    Energy Technology Data Exchange (ETDEWEB)

    Chenard, Etienne; Sutrisno, Andre; Zhu, Lingyang; Assary, Rajeev S.; Kowalski, Jeffrey A; Barton, John L.; Bertke, Jeffery A.; Gray, Danielle; Brushett, Fikile R; Curtiss, Larry A.; Moore, Jeffrey S.

    2016-04-28

    Following the discovery of the redox-active 1,4- bis-BF3-quinoxaline complex, we undertook a structure- activity study with the objective to understand the active nature of the quinoxaline complex. Through systematic synthesis and characterization, we have compared complexes prepared from pyridine and pyrazine derivatives, as heterocyclic core analogues. This paper reports the structural requirements that give rise to the electrochemical features of the 1,4-bis-BF3-quinoxaline adduct. Using solution and solidstate NMR spectroscopy, the role of aromatic ring fusion and nitrogen incorporation in bonding and electronics was elucidated. We establish the boron atom location and its interaction with its environment from 1D and 2D solution NMR, X-ray diffraction analysis, and 11B solid-state NMR experiments. Crystallographic analysis of single crystals helped to correlate the boron geometry with 11B quadrupolar coupling constant (CQ) and asymmetry parameter (ηQ), extracted from 11B solid-state NMR spectra. Additionally, computations based on density functional theory were performed to predict electrochemical behavior of the BF3-heteroaromatic complexes. We then experimentally measured electrochemical potential using cyclic voltammetry and found that the redox potentials and CQ values are similarly affected by electronic changes in the complexes.

  18. On the study and development of aqueous inorganic hydroxoaquo tridecamers: Structural observations in the solid and solution phases

    Science.gov (United States)

    Kamunde-Devonish, Maisha Kanyua

    Group 13 metals play a pivotal role in many areas of research ranging from materials to environmental chemistry. An important facet of these disciplines is the design of discrete molecules that can serve as functional materials for electronics applications and modeling studies. A solution-based synthetic strategy for the preparation of discrete Group 13 hydroxo-aquo tridecamers with utility as single-source precursors for amorphous functional thin film oxides is introduced in this dissertation. Several techniques including 1H-Nuclear Magnetic Resonance (NMR) spectroscopy, 1H-Diffusion Ordered spectroscopy, Solid-state NMR, Dynamic Light Scattering, and Raman spectroscopy are used to acquire structural information necessary for understanding the nature of these precursors in both the solid and solution phases. The dynamic behavior of these compounds has encouraged additional experiments that will pave the way for new studies with significant importance as the environmental ramifications of these compounds become relevant for future technologies. This dissertation includes previously published and unpublished co-authored material.

  19. Influence of Elemental Iodine on Imidazolium-Based Ionic Liquids: Solution and Solid-State Effects.

    Science.gov (United States)

    Fei, Zhaofu; Bobbink, Félix D; Păunescu, Emilia; Scopelliti, Rosario; Dyson, Paul J

    2015-11-01

    Ionic liquids doped with I2, usually resulting in the formation of polyiodide anions, are extensively used as electrolytes and in iodination reactions. Herein, NMR spectroscopy and single-crystal X-ray diffraction were used to rationalize the structures of imidazolium-based polyiodide ionic liquids in the liquid and solid states. Combined, these studies show that extensive interactions between the imidazolium cation and the resulting polyiodide anion are present, which have the net effect of lengthening, polarizing, and weakening the I-I bonds in the anion. This bond weakening rationalizes the high conductivity and reactivity of ionic liquids doped with I2. PMID:26465973

  20. Radiation effects in frozen solutions of iron salts and solid state dosimeters at low temperatures

    International Nuclear Information System (INIS)

    Low temperature dosimetry is useful in space research, in the simulation of reactions that may take place in extraterrestrial icy-bodies, etc. In this paper we study the behavior of three different systems in order to evaluate if they can be used as dosimeters at low temperatures. The systems under study are 1) frozen solutions of iron salts, 2) crystals of LiF co-doped with Mg, Cu and P, and 3) crystals of CaSO4 doped with Dy. For the frozen solution the analysis was performed after melting by UV-spectroscopy and for the crystals the response was measured by thermoluminescence. The systems were irradiated with gamma radiation at different doses (from 10 to 2500 Gy), and at different temperatures (from 77 K to 298 K). Numerical simulations of the chemical reaction system reproduce the experimental effects produced by the irradiation in aqueous solutions of ferrous salt. The results with both the thermoluminescence dosimeters and the frozen iron aqueous solutions showed that the response of the dosimeters is a function of the temperature. At low radiation doses the response was linear. (Author)

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

    International Nuclear Information System (INIS)

    Graphical abstract: A unique hierarchical architecture of ZnS–In2S3 solid solution onto TiO2 nanofibers was fabricated. The hierarchical heterostructures exhibit high visible light photocatalytic activity and outstanding recycling performance. - Highlights: • Novel hierarchical heterostructure of TiO2@ZnS–In2S3 solid solution. • Efficient inhibition of ZnS–In2S3 solid solution aggregation. • High visible light photocatalytic activity. • Highly stable recycling performance. - Abstract: A unique hierarchical architecture of ZnS–In2S3 solid solution nanostructures onto TiO2 nanofibers (TiO2@ZnS–In2S3) has been successfully fabricated by simple hydrothermal method. The ZnS–In2S3 solid solution nanostructures exhibit a diversity of morphologies: nanosheet, nanorod and nanoparticle. The porous TiO2 nanofiber templates effectively inhibit the aggregation growth of ZnS–In2S3 solid solution. The formation of ZnS–In2S3 solid solution is proved by X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) and the intimate contact between TiO2 nanofibers and ZnS–In2S3 solid solution favors fast transfer of photogenerated electrons. The trinary TiO2@ZnS–In2S3 heterostructures exhibit high adsorption capacity and visible light photocatalytic activity for the degradation of rhodamine B dye (RhB), remarkably superior to pure TiO2 nanofibers or binary structures (ZnS/TiO2 nanofibers, In2S3/TiO2 nanofibers and ZnS–In2S3 solid solution). Under visible light irradiation the RhB photocatalytic degradation rate over TiO2@ZnS–In2S3 heterostructures is about 16.7, 12.5, 6.3, 5.9, and 2.2 times that over pure TiO2 nanofibers, ZnS nanoparticles, In2S3/TiO2 nanofibers, ZnS/TiO2 nanofibers, and ZnS-In2S3 solid solution, respectively. Furthermore, the TiO2@ZnS–In2S3 heterostructures show highly stable recycling performance

  2. Crystallization of organically templated phosphomolybdate cluster-based solids from aqueous solution

    Indian Academy of Sciences (India)

    Minakshi Asnani; Dinesh Kumar; T Duraisamy; Arunachalam Ramanan

    2012-11-01

    The paper reports the synthesis and structural characterization of several organic-inorganic solids involving phosphomolybdate clusters. The Strandberg-type {P2Mo$^{\\text{VI}}_{5}$O23} and the lower-valent {P4Mo$^{V}_{6$O31} cluster based solids were isolated in the presence of (ethylenediamine) by controlling pH of the reaction medium. The lower-valent cluster invariably requires the presence of a suitable metal cation for further stabilization. A detailed investigation of the system was carried out where three different weak acids viz. oxalic acid, succinic acid and glycine were used in the entire pH range (1-12). Our results establish that the organic amine () is alone capable of reducing the molybdenum core in the absence of an organic acid at a suitable pH. Hence, pH of the reaction medium combined with suitable temperature favours the formation of lower-valent phosphomolybdate cluster. Higher pH favours the precipitation of a new sodium hydrogen phosphate.

  3. Effect of the W addition content on valence electron structure and properties of MoSi2-based solid solution alloys

    International Nuclear Information System (INIS)

    Highlights: → Based on the EET, the valence electron structures of MoSi2-based solid solution alloys have been analyzed using the average atom model. → Analysis of the valence electron structure and mechanical properties relationship. → The results of theoretic calculation have been verified by the experimental results. - Abstract: Based on the empirical electron theory (EET) of solids and molecules, the valence electron structures (VES) of MoSi2-based solid solution alloys have been analyzed using the average atom model. The results showed that with the increase of the W addition content, the hybridization steps of Mo and Si atom of the alloys occurred in C3 and 1, respectively. The hybridization step of W was always C5. The bond energy of the main bond branch, the covalence electron number on the strongest bond and the percentage of the total covalent electron numbers accounting for the total valence electron number of (Mo1-x, Wx)Si2 solid solutions increased with the increase of W addition content. These suggested that the addition of W would increase the melting point, hardness and strength and decrease the fracture toughness of (Mo1-x, Wx)Si2 solid solutions. Based on those results, MoSi2-based solid solution alloys were manufactured, and the results of the experiments were in accordance with those of the theory.

  4. Solid-state and solution /sup 13/C NMR in the conformational analysis of methadone-hydrochloride and related narcotic analgesics

    Energy Technology Data Exchange (ETDEWEB)

    Sumner, S.C.J.

    1986-01-01

    Solid state and solution /sup 13/C NMR have been used to study the conformations of the racemic mixtures and single enantiomers of methadone hydrochloride, alpha and beta methadol hydrochloride, and alpha and beta acetylmethadol hydrochloride. The NMR spectra acquired for the compounds as solids, and in polar and nonpolar solvents are compared, in order to determine the conformation of the molecules in solution. To determine the reliability of assigning solution conformations by comparing solution and solid state chemical shift data, three bond coupling constants measured in solution are compared with those calculated from X-ray data. The conformations of the racemic mixture and plus enantiomer of methadone hydrochloride have been shown to be very similar in the solid state, where minor differences in conformation can be seen by comparing NMR spectra obtained for the solids. Also shown is that the molecules of methadone hydrochloride have conformations in polar and in nonpolar solvents which are very similar to the conformation of the molecules in the solid state.

  5. Synthesis and characterization of type solid solution in the binary system of Bi2O3–Eu2O3

    Indian Academy of Sciences (India)

    O Turkoglu; M Soylak; I Belenli

    2002-12-01

    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 phase which is metastable when pure. Stability of -Bi2O3 polymorph was influenced by heat treatment temperature. Tetragonal type solid solution was obtained in 3–6 mole% addition range when annealed at 750°C and the range was 2–7 mole% when annealed at 800°C. We have also carried out investigations on lattice parameters, microstructural properties and elemental compositions of this type solid solution for each doping ratio. Lattice parameters increased with amount of Eu2O3 addition. Our experimental observations strongly suggested that oxygen deficiency type non-stoichiometry is present in doped type solid solutions.

  6. Dislocation glide in Ni-Al solid solutions from the atomic scale up: a molecular dynamics study

    International Nuclear Information System (INIS)

    The glide of an edge dislocation in solid solutions is studied by molecular dynamics, at fixed temperature and imposed external stress. We have optimized an EAM potential for Ni(1 a 8% A1): it well reproduces the lattice expansion, local atomic order, stacking fault energy as a function of composition, as well as the elastic properties of the γ' phase with L12 structure. On increasing the stress, the dislocation is first immobile, then glides with a velocity proportional to the stress and the velocity saturates on reaching the transverse sound velocity. However, only beyond a static threshold stress, σs, does the dislocation glide a distance large enough to allow macroscopic shear; the linear part of the velocity-stress curve extrapolates to zero at a dynamical threshold stress, σd, The friction coefficient, and the threshold stresses (σs and σd), increase with the A1 concentration and decrease with temperature (300 and 500 K). Close to the critical shear stress, σs, the dislocation glide is analysed with a 'stop and go' model. The latter yields the flight velocity between obstacles, the mean obstacle density and the distribution of the waiting time on each obstacle as a function of stress, composition and temperature. The obstacle to the glide is proposed to be the strong repulsion between Al atoms brought into nearest neighbour position by the glide process, and not the dislocation-solute interaction. The microscopic parameters so defined are introduced into a micro-mechanical model, which well reproduces the known behaviour of nickel base solid solutions. (author)

  7. Solutions for a completely saturated porous elastic solid with impeded boundaries

    Institute of Scientific and Technical Information of China (English)

    CHEN Yunmin; CHENG Zehai; LING Daosheng; ZHU Bin

    2007-01-01

    Analytical solutions are presented for the consolidation of a semi-infinite stratum and a finite soil layer with an impeding layer located on the surface subjected to a vertical point loading.The Laplace transform and the Hankel transform are used with respect to time and the radial coordinate,respectively.Solutions of other distributed loadings,including the circular loading,can be easily obtained by integrating those of the point loading.The consolidation degree,excess pore water pressure,vertical total stress,and the shear stress of the consolidating layer are analyzed in this study.The consolidation rate decreases with the increase in the thickness of the impeding layer.Stresses of the consolidating layer vary during the consolidation due to the coupling of the excess pore water dissipation and the soil skeleton deformation.Further,the Mandel-Cryer effect is also analyzed in this study.

  8. Radiation polymerization and crosslinking of N-isopropylacrylamide in aqueous solution and in solid state

    International Nuclear Information System (INIS)

    Poly(N-isopropylacrylamide) hydrogels were synthesized by radiation induced simultaneous polymerization and cross-linking. Aqueous monomer solutions and pure monomer, without crosslinker, were irradiated in nitrogen atmosphere at a 60Co gamma source. The conversion from monomer to polymer and cross-linked gel was investigated as a function of temperature and monomer concentration. The swelling behavior of the gels showed clear dependence on the synthesis conditions. (author)

  9. Synthesis and characterization of nano-sized BaSr1–SO4 (0 ≤ ≤ 1) solid solution by a simple surfactant-free aqueous solution route

    Indian Academy of Sciences (India)

    Yu-Feng Li; Jia-Hu Ouyang; Yu Zhou; Xue-Song Liang; Ji-Yong Zhong

    2009-04-01

    A facile aqueous solution route has been employed to synthesize BaSr1–SO4 (0 4 ≤ 1) solid solution nanocrystals at room temperature without using any surfactants or templates. The as-synthesized products were characterized by means of X-ray diffraction (XRD), X-ray fluorescence spectrometer (XRF), scanning electron microscopy (SEM), and differential scanning calorimetry–thermogravimetry (DSC–TG). The BaSr1–SO4 solid solution nanocrystals exhibit an orthorhombic structure and an ellipsoidal-shaped morphology with an average size of 80–100 nm. The lattice parameters of BaSr1–SO4 solid solution crystals increase with increasing x value. However, they are not strictly coincident with the Vegard’s law, which indicates that the as-obtained products are non-ideal solid solutions. The BaSr1–SO4 solid solution nanocrystals have an excellent thermal stability from ambient temperature to 1300°C with a structural transition from orthorhombic to cubic phase at about 1111°C.

  10. Technical note: Use of a digital and an optical Brix refractometer to estimate total solids in milk replacer solutions for calves.

    Science.gov (United States)

    Floren, H K; Sischo, W M; Crudo, C; Moore, D A

    2016-09-01

    The Brix refractometer is used on dairy farms and calf ranches for colostrum quality (estimation of IgG concentration), estimation of serum IgG concentration in neonatal calves, and nonsalable milk evaluation of total solids for calf nutrition. Another potential use is to estimate the total solids concentrations of milk replacer mixes as an aid in monitoring feeding consistency. The purpose of this study was to evaluate the use of Brix refractometers to estimate total solids in milk replacer solutions and evaluate different replacer mixes for osmolality. Five different milk replacer powders (2 milk replacers with 28% crude protein and 25% fat and 3 with 22% crude protein and 20% fat) were mixed to achieve total solids concentrations from approximately 5.5 to 18%, for a total of 90 different solutions. Readings from both digital and optical Brix refractometers were compared with total solids. The 2 types of refractometers' readings correlated well with one another. The digital and optical Brix readings were highly correlated with the total solids percentage. A value of 1.08 to 1.47 would need to be added to the Brix reading to estimate the total solids in the milk replacer mixes with the optical and digital refractometers, respectively. Osmolality was correlated with total solids percentage of the mixes, but the relationship was different depending on the type of milk replacer. The Brix refractometer can be beneficial in estimating total solids concentration in milk replacer mixes to help monitor milk replacer feeding consistency. PMID:27394945

  11. Software for optical recognition of micro- and nano-objects in solids and colloidal solutions

    Science.gov (United States)

    Val', O.; Diachenko, L.; Minov, E.; Ostapov, S.; Fochuk, P.; Khalavka, Yu.; Kopach, O.

    2015-11-01

    This paper deals with the development of algorithms and software for optical recognition of growing defects in the semiconductor crystals and metal nanoparticles in colloidal solutions. Input information is a set of photographs from a microscope, as well as a short video-file with nanoparticle's tracks. We used the wavelet technology to filtering and image transformations. As a result of recognition the 3D image is formed with the point, linear and planar growing defects. Defects are sorted by size; different statistical characteristics are computed such as the defect's distribution in layers and in the whole crystal. The system supports arbitrary rotations of the "crystal"; "cutting" by different planes and so on. The software allows you to track the movement of nanoparticles in colloidal solutions; to determine the local temperature and density of the solution. We proposed a new method for quantitative estimation of recognition quality. This method based on the "virtual crystal" model, which has predetermined parameters of the defect subsystem. The software generates a set of photographs, which used as the input information of recognition system. Comparing the statistical parameters of the input data with the recognition results, we can estimate the quality of recognition systems from different manufacturers.

  12. From solid solution to cluster formation of Fe and Cr in α-Zr

    Science.gov (United States)

    Burr, P. A.; Wenman, M. R.; Gault, B.; Moody, M. P.; Ivermark, M.; Rushton, M. J. D.; Preuss, M.; Edwards, L.; Grimes, R. W.

    2015-12-01

    To understand the mechanisms by which the re-solution of Fe and Cr additions increase the corrosion rate of irradiated Zr alloys, the solubility and clustering of Fe and Cr in model binary Zr alloys was investigated using a combination of experimental and modelling techniques - atom probe tomography (APT), x-ray diffraction (XRD), thermoelectric power (TEP) and density functional theory (DFT). Cr occupies both interstitial and substitutional sites in the α-Zr lattice; Fe favours interstitial sites, and a low-symmetry site that was not previously modelled is found to be the most favourable for Fe. Lattice expansion as a function of Fe and Cr content in the α-Zr matrix deviates from Vegard's law and is strongly anisotropic for Fe additions, expanding the c-axis while contracting the a-axis. Matrix content of solutes cannot be reliably estimated from lattice parameter measurements, instead a combination of TEP and APT was employed. Defect clusters form at higher solution concentrations, which induce a smaller lattice strain compared to the dilute defects. In the presence of a Zr vacancy, all two-atom clusters are more soluble than individual point defects and as many as four Fe or three Cr atoms could be accommodated in a single Zr vacancy. The Zr vacancy is critical for the increased apparent solubility of defect clusters; the implications for irradiation induced microstructure changes in Zr alloys are discussed.

  13. XRD and UV-Vis diffuse reflectance analysis of CeO2-ZrO2 solid solutions synthesized by combustion method

    Indian Academy of Sciences (India)

    G Ranga Rao; H Ranjan Sahu

    2001-10-01

    A series of ceria-incorporated zirconia (Ce1-ZrO2, = 0 to 1) solid solutions were prepared by employing the solution combustion synthesis route. The products were characterized by XRD and UV-Vis-NIR diffuse reflectance spectroscopy. The materials are crystalline in nature and the lattice parameters of the solid solution series follow Vegard’s law. Diffuse reflectance spectra of the solid solutions in the UV region show two intense bands at 250 and 297 nm which are assigned respectively to Ce3+ ← O2- and Ce4+ ← O2- charge transfer transitions. The two vibrational bands in 6960 cm-1 and 5168 cm-1 in the NIR region indicate the presence of surface hydroxyl groups on these materials.

  14. Solid-liquid extraction of Mo and W by Aliquat 336 from HF and HCl solutions towards extraction chromatography experiments of Sg

    International Nuclear Information System (INIS)

    We are aiming to investigate complex formation properties of Sg with fluoride and chloride ions by extraction chromatography from HF and HCl solutions. We have selected Aliquat 336 as an extractant for anionic species in aqueous solution. In this study, solid-liquid extraction behaviors of carrier-free radiotracers Mo and W on Aliquat 336-loaded resin from 1–10 M HF and 0.1–10 M HCl solutions were investigated. (author)

  15. Evaluation of a novel solid phase extraction composite for the removal of actinides from acidic nuclear waste solutions

    Science.gov (United States)

    Tranter, T. J.; Mann, N. R.; Todd, T. A.; Šebesta, F.

    2003-01-01

    A novel approach for preparing granular solid phase extractants (SPE) for the separation of actinides has been developed, wherein the extractant is directly immobilised in an inert matrix. This allows substantially higher extractant loading in the SPE material than for conventional extraction chromatography resins. This approach utilises polyacrylonitrile (PAN) as the inert matrix material. The well-known actinide extractant octyl (phenyl)-N,N-diisobutylcarbamoylmethylphosphine oxide (CMPO) has been impregnated within PAN granules at extractant loadings from 20 to 33 wt. % CMPO. The porosity of the PAN matrix allows the active material to have rapid and complete access to the solution containing the target contaminants, resulting in improved kinetics and higher sorption capacities. The new CMPO-PAN SPE material was prepared in a batch process. Equilibrium batch contact tests were then performed with this material to determine the efficacy for removing plutonium and uranium from acid solutions as well as simulated solutions of tank waste currently stored at the Idaho National Engineering and Environmental Laboratory (INEEL). The potential interference of non-target metals was also investigated. The equilibrium behaviour of the new composite material will be discussed.

  16. Evaluation of a novel solid phase extraction composite for the removal of actinides from acidic nuclear waste solutions

    International Nuclear Information System (INIS)

    A novel approach for preparing granular solid phase extractants (SPE) for the separation of actinides has been developed, wherein the extractant is directly immobilised in an inert matrix. This allows substantially higher extractant loading in the SPE material than for conventional extraction chromatography resins. This approach utilises polyacrylonitrile (PAN) as the inert matrix material. The well-known actinide extractant octyl (phenyl)-N,N-diisobutylcarbamoylmethylphosphine oxide (CMPO) has been impregnated within PAN granules at extractant loadings from 20 to 33 wt. % CMPO. The porosity of the PAN matrix allows the active material to have rapid and complete access to the solution containing the target contaminants, resulting in improved kinetics and higher sorption capacities. The new CMPO-PAN SPE material was prepared in a batch process. Equilibrium batch contact tests were then performed with this material to determine the efficacy for removing plutonium and uranium from acid solutions as well as simulated solutions of tank waste currently stored at the Idaho National Engineering and Environmental Laboratory (INEEL). The potential interference of non-target metals was also investigated. The equilibrium behaviour of the new composite material will be discussed. (author)

  17. Approximate analytic transport problem solution of particle reflection from solid target

    International Nuclear Information System (INIS)

    The first part of thesis deals with the analytic investigation of the energy and time independent particle transport in plane geometry described by a common anisotropic scattering function. Regarding particles with specific diffusion histories in infinite or semi-infinite medium, new particular solutions of the corresponding transport equations are exactly derived by means of the Fourier inversion technique. Aiming at preserving the analytic outcome, the two groups of particles scattered after each successive collision into directions μ0, were considered. Its Fourier transformed transport equations have solutions without logarithmic singular points, in the upper part or the down part of the complex k-plane. Consequently, the Fourier inversion of solutions are carried out analytically and the closing expressions in real space are acquired as a compound of the elementary exponential functions over space coordinate x. Opposite to the exact solution for the whole angular flux density - being a key result of the rigorous transport theory, these particular solutions do not comprise elements with the exponential singular integrals and could be easily applied in subsequent calculations. It has been shown that these formulae represent a valid generalization of the expressions for the flux of once scattered particles. Moreover, they incorporate a great fraction of all particles and, at least in the case of a small multiplication constant c, they closely approach the entire angular flux density. Using the particular solutions previously derived, an approximate analytic method for solving the energy and time independent transport equation in plane geometry is developed. The procedure is based on the particle flux decomposition in two components. The first component is exactly obtained and the second one is determined approximately by the ordinary DPN method of low order. The infinite medium Green's function and the half-space reflection coefficient were calculated. A careful

  18. Kinetic and thermodynamic studies of the dissolution of thorium-uranium (IV) phosphate-diphosphate solid solutions

    Science.gov (United States)

    Thomas, A. C.; Dacheux, N.; Le Coustumer, P.; Brandel, V.; Genet, M.

    2001-06-01

    The dissolution of thorium-uranium (IV) phosphate-diphosphate solid solutions (TUPD) was studied as a function of the temperature and leachate acidity. The dependence of the normalized dissolution rate on the temperature leads to an activation energy equal to about 40 kJ mol -1, close to that obtained for the pure thorium phosphate-diphosphate ( 42±3 kJ mol-1) and for thorium-plutonium (IV) phosphate-diphosphate solid solutions ( 41±1 kJ mol-1). The normalized dissolution rate of TUPD slightly increases with the leachate acidity. The partial order related to the proton concentration, n, is equal to 0.40±0.02 while the apparent normalized dissolution rate constant, k'T,I, reaches (2.8±0.7)×10 -4 g m-2 d-1 at 90°C and for [ H3O+]=1 M. When the saturation of the leachate is reached, the concentration of thorium, uranium and phosphate ions measured in the solution are controlled by the precipitation of the uranyl phosphate pentahydrate (UO 2) 3(PO 4) 2·5H 2O and the thorium phosphate-hydrogenphosphate Th 2(PO 4) 2(HPO 4)·H 2O. Both solids were extensively characterized using XRD, infrared and UV-visible spectroscopies or electron probe microanalysis (EPMA). Their solubility products, K°S,0, were determined and extrapolated to I=0. They are equal to 10 -55.2±0.5 and 10 -66.6±1.2, respectively. All the samples leached were characterized using EPMA, SEM and TEM. These techniques showed that during the dissolution process, thorium and uranium are completely separated as (UO 2) 3(PO 4) 2·5H 2O, on one hand, and Th 2(PO 4) 2(HPO 4)·H 2O, on the other hand. In the first days of leaching tests, an amorphous additional phase, identified as Th 2(PO 4) 2(HPO 4)· nH 2O was also observed. Several leaching tests performed on sintered TUPD samples revealed that the dissolution rates measured in 10 -1 M HNO3 is very low (6.5×10 -5 g d-1) by comparison to other ceramics studied in the same objective. In these conditions, the thorium phosphate-diphosphate (TPD) appears as

  19. Structural analysis and magnetic properties of solid solutions of Co–Cr system obtained by mechanical alloying

    Energy Technology Data Exchange (ETDEWEB)

    Betancourt-Cantera, J.A. [Área Académica de Ciencias de la Tierra y Materiales, UAEH Carr., Pachuca-Tulancingo Km. 4.5, Pachuca, Hidalgo 42184 (Mexico); Sánchez-De Jesús, F., E-mail: fsanchez@uaeh.edu.mx [Área Académica de Ciencias de la Tierra y Materiales, UAEH Carr., Pachuca-Tulancingo Km. 4.5, Pachuca, Hidalgo 42184 (Mexico); Bolarín-Miró, A.M. [Área Académica de Ciencias de la Tierra y Materiales, UAEH Carr., Pachuca-Tulancingo Km. 4.5, Pachuca, Hidalgo 42184 (Mexico); Betancourt, I.; Torres-Villaseñor, G. [Departamento de Materiales Metálicos y Cerámicos, Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, México D.F. 04510 (Mexico)

    2014-03-15

    In this paper, a systematic study on the structural and magnetic properties of Co{sub 100−x}Cr{sub x} alloys (0solid solutions based on Co-hcp, Co-fcc and Cr-bcc structures were obtained. The saturation polarization indicated a maximum value of 1.17 T (144 Am{sup 2}/kg) for the Co{sub 90}Cr{sub 10}, which decreases with the increasing of the Cr content up to x=80, as a consequence of the dilution effect of the magnetic moment which is caused by the Cr content and by the competition between ferromagnetic and antiferromagnetic exchange interactions. The coercivity increases up to 34 kA/m (435 Oe) for Co{sub 40}Cr{sub 60}. For Cr rich compositions, it is observed an important decrease reaching 21 kA/m (272 Oe) for Co{sub 10}Cr{sub 90,} it is related to the grain size and the structural change. Besides, the magnetic anisotropy constant was determined for each composition. Magnetic thermogravimetric analysis allowed to obtain Curie temperatures corresponding to the formation of hcp-Co(Cr) and fcc-Co(Cr) solid solutions. - Highlights: • Mechanical alloying (MA) induces the formation of solid solutions of Co–Cr system in non-equilibrium. • We report the crystal structure and the magnetic behavior of Co–Cr alloys produced by MA. • MA improves the magnetic properties of Co–Cr system.

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

    KAUST Repository

    Said-Houari, Belkacem

    2013-12-01

    In this article, we consider two porous systems of nonclassical thermoelasticity in the whole real line. We discuss the long-time behaviour of the solutions in the presence of a strong damping acting, together with the heat effect, on the elastic equation and establish several decay results. Those decay results are shown to be very slow and of regularity-loss type. Some improvements of the decay rates have also been given, provided that the initial data belong to some weighted spaces. © 2013 Copyright Taylor and Francis Group, LLC.

  1. Inclusion of Paracetamol into β-cyclodextrin nanocavities in solution and in the solid state

    Science.gov (United States)

    El-Kemary, Maged; Sobhy, Saffaa; El-Daly, Samy; Abdel-Shafi, Ayman

    2011-09-01

    We report on steady-state UV-visible absorption and emission characteristics of Paracetamol, drug used as antipyretic agent, in water and within cyclodextrins (CDs): β-CD, 2-hydroxypropyl- β-CD (HP- β-CD) and 2,6-dimethyl- β-CD (Me- β-CD). The results reveal that Paracetamol forms a 1:1 inclusion complex with CD. Upon encapsulation, the emission intensity enhances, indicating a confinement effect of the nanocages on the photophysical behavior of the drug. Due to its methyl groups, the Me- β-CD shows the largest effect for the drug. The observed binding constant showing the following trend: Me- β-CD > HP- β-CD > β-CD. The less complexing effectiveness of HP- β-CD is due to the steric effect of the hydroxypropyl-substituents, which can hamper the inclusion of the guest molecules. The solid state inclusion complex was prepared by co-precipitation method and its characterization was investigated by Fourier transform infrared spectroscopy, 1H NMR and X-ray diffractometry. These approaches indicated that Paracetamol was able to form an inclusion complex with CDs, and the inclusion compounds exhibited different spectroscopic features and properties from Paracetamol.

  2. Nitrate conversion and supercritical fluid extraction of UO2-CeO2 solid solution prepared by an electrolytic reduction-coprecipitation method

    International Nuclear Information System (INIS)

    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 N2O4 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 UO2-CeO2 solid solution was prepared as a surrogate for a UO2-PuO2 solid solution, and the recovery of U and Ce from the UO2-CeO2 solid solution with liquid N2O4 and supercritical CO2 containing tri-n-butyl phosphate (TBP) was investigated. The UO2-CeO2 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 N2O4. The XRD pattern of the nitrates was similar to that of UO2(NO3)2 . 3H2O. 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 CO2 containing TBP. The results suggest a promising potential technology for the reprocessing of SNF from HTGRs. (orig.)

  3. Influence of Ce0.68Zr0.32O2 solid solution on depositing -alumina washcoat on FeCrAl foils

    Indian Academy of Sciences (India)

    Mei-Qing Shen; Li-Wei Jia; Wen-Long Zhou; Jun Wang; Ying Huang

    2006-02-01

    The influence of Ce0.68Zr0.32O2 solid solution on properties of -alumina based washcoat on FeCrAl foils was investigated. FeCrAl foils were pretreated at 950°C in air for 10 h before coating washcoat. Different amounts of Ce0.68Zr0.32O2 solid solution were added into ã-alumina-based slurries. The properties of washcoats were measured by ultrasonic vibration and thermal shock test, SEM, BET and XRD. The results show that the addition of Ce0.68Zr0.32O2 solid solution into slurries can improve -Al2O3-based washcoat adhesion on FeCrAl foils. The more the Ce0.68Zr0.32O2 solid solution added into slurries, the higher was the specific surface area of aged samples. XRD characterization proved that ceria–zirconia solid solution can inhibit the transformation of -Al2O3 crystal into others at 1050°C for 20 h.

  4. Heterogeneity in a solid solution and its effect on the magnetization: hemo-ilmenite as an example

    Science.gov (United States)

    Eva, S.; Luster, J.; Fischer, H.; Gehring, A. U.

    2006-12-01

    Mineral phases of the hematite-ilmenite solid solutions series (y FeTiO3 - (1-y) α{Fe2O3; 0 AFM ordered areas in the boundary layers which became more prominent with decreasing temperature. The simultaneous occurrence of SP clusters and AFM ordered areas generated spin-glass like properties. At T AFM ordered areas set in and was documented by an increase in Hc. At lower temperature, the additional shift of the hysteresis indicated a change in AFM anisotropy. At 5 K, the hemo-ilmenite can be described as a heterogeneous system with local variations in AFM anisotropies which are most likely caused by structural defects or size distribution of magnetic nanostructures. This study provides evidence that exchange coupling caused by nano-scale heterogeneity can significantly influence the magnetic properties of hemo-ilmenite particles. The effect of exchange coupling on the magnetization of larger bodies (e.g. intrusions) remains an open question.

  5. Optical properties of (In2Se3)1-x·(CuIn5Se8)x solid solutions

    International Nuclear Information System (INIS)

    Single crystals of In2Se3 and CuIn5Se8 compounds and (In2Se3)1-x·(CuIn5Se8)x solid solutions have been grown from the melt using the Bridgman method and their composition and structure determined. It is shown that the crystals have n-type conductivity. Their transmission spectra were studied in the self-absorption edge region at 80 and 295 K. Based on the spectral measurements, the band gap width (Eg) was determined and the band gap concentration dependences were plotted. It is found that Eg varies with the x composition nonlinearly. Using the dielectric model of Van Vechten-Bergstresser and the Hill-Richardson pseudo potential model, Eg(x) was calculated theoretically. (authors)

  6. Crystallographic analysis of the solid solution of iron doped potassium strontium niobate with tetragonal tungsten bronze structure

    International Nuclear Information System (INIS)

    Solid solution of iron doped potassium strontium niobate with KSr2(FeNb4)O15-δ stoichiometry was prepared by high efficiency ball milling method. Structural characterization was carried out by X-ray diffraction. Crystalline structure was analyzed by the Rietveld refinements using the FullProf software. The results showed a tetragonal system with the tetragonal tungsten bronze structure - TTB (a = 12.4631 (2) A and c = 3.9322 (6) A, V = 610.78 (2) A3). In this work, the sites occupancy by the K+, Sr2+ and Fe3+ cations on the TTB structure were determined. NbO6 polyhedra distortion and its correlation with the theoretical polarization are discussed. (author)

  7. Anomalous magnetism and electron paramagnetic resonance spectroscopy of the ZrNi1-xCrxSn solid solution

    International Nuclear Information System (INIS)

    The static magnetic properties and electron paramagnetic resonance (EPR) spectra of ZrNi1-xCrxSn solid solution (0pp=(120±5)G type and g=1.980±0.001, peak-to-peak width ΔHpp=(10±1)G, respectively. They have been attributed to Cr3+ ions in Ni-sites of the lattice coupled by magnetic dipolar interaction (type I) and to exchange coupled Cr3+ pairs or clusters of more than two Cr3+ ions (type II). The third line detected in the samples with x=0.3,0.4 characterised by geff=2.0003±0.0001 and ΔHpp=(3.0±0.5)G has been interpreted as conduction electron spin resonance (CESR). (orig.)

  8. User's guide to PROTOCOL, a numerical simulator for the dissolution reactions of inorganic solids in aqueous solutions

    International Nuclear Information System (INIS)

    This report provides a user's manual for PROTOCOL, a comprehensive coupled kinetic/equilibrium computer program for analyzing the dissolution reactions of solids with aqueous solutions, specifically applied to the potential corrosion of vitrified nuclear waste by groundwater. The capabilities and available options are summarized as well as instructions for setting up and running problems. Also described in this report and included in the PROTOCOL software package are MASTER, a master file of species thermodynamic data, MANEQL, a preprocessor program and POSTP, a postprocessor. POSTP provides offline plotting using the CRAY-1 DISSPLA 9.0 graphics library. PROTOCOL is operational on the CDC-7600 and CRAY-1 computers at the Lawrence Livermore National Laboratory. 7 references, 10 figures, 2 tables

  9. (1-xPux)Sb solid solutions. 1. Magnetic configurations

    DEFF Research Database (Denmark)

    Normile, P.S.; Stirling, W.G.; Mannix, D.;

    2002-01-01

    Neutron and resonant x-ray magnetic scattering studies have been performed on single crystals of three compositions, x=0.25, 0.50, and 0.75 of the (U1-xPux)Sb solid solution. Neutron diffraction has established the ordering wave vector (k=1 for x=0.25 and 0.50, as in x=0, USb, and k=0.25 for x=0...... are triple k (as in x=0, USb), but that the x=0.75 sample is initially (at T-N) triple k, but at a lower temperature of T' starts to transform to a single-k configuration (as found in x=1, PuSb). The (H, T) phase diagram of this sample is presented. At T=10 K some 30% of the x=0.75 sample remains...

  10. Facile synthesis of catalytically active CeO2-Gd2O3 solid solutions for soot oxidation

    Indian Academy of Sciences (India)

    D Naga Durgasri; T Vinodkumar; Benjaram M Reddy

    2014-03-01

    CeO2-Gd2O3 oxides were synthesized by a modified coprecipitation method and subjected to thermal treatments at different temperatures to understand their thermal behaviour. The obtained samples were characterized by XRD, BET, TEM, Raman and TPR techniques. Catalytic efficiencies for oxygen storage/release capacity (OSC) and soot oxidation were evaluated by a thermogravimetric (TG) method. XRD and Raman results indicated the formation of Ce0.8Gd0.2O2− (CG) solid solutions at lower calcination temperatures, and TEM studies confirmed nanosized nature of the particles. Raman studies further confirmed the presence of oxygen vacancies and lattice defects in the CG sample. TPR measurements indicated a facile reduction of ceria after Gd3+ addition. Activity studies revealed that incorporation of Gd3+ into the ceria matrix favoured the creation of more structural defects, which accelerates the oxidation rate of soot compared to pure ceria.

  11. Observation of quasi-fast diffusion process in sup 3 He- sup 4 He solid solutions near BCC-HCP

    CERN Document Server

    Mikhin, N P; Rudavskij, E Y

    2001-01-01

    By means of pulsed NMR one investigated into diffusion processes i sup 3 He dilute solid solution in sup 4 He at the BCC-HCP phase equilibrium line and in a melting-point curve. The applied techniques of the spin echo enabled to separate contributions made by all co-existing phases. It is determined that alongside with the contributions relevant to the equilibrium phases a secondary diffusion process characterized by anomalously high value of the diffusion coefficient manifests itself. It is shown to be close to the value of diffusion coefficient for liquid helium while diffusion is a spatially restricted one. One assumes that the observed effect may be associated with occurrence of liquid drops in the BCC-HCP transition process

  12. Stability and spinodal decomposition of the solid-solution phase in the ruthenium-cerium-oxide electro-catalyst.

    Science.gov (United States)

    Li, Yanmei; Wang, Xin; Shao, Yanqun; Tang, Dian; Wu, Bo; Tang, Zhongzhi; Lin, Wei

    2015-01-14

    The phase diagram of Ru-Ce-O was calculated by a combination of ab initio density functional theory and thermodynamic calculations. The phase diagram indicates that the solubility between ruthenium oxide and cerium oxide is very low at temperatures below 1100 K. Solid solution phases, if existing under normal experimental conditions, are metastable and subject to a quasi-spinodal decomposition to form a mixture of a Ru-rich rutile oxide phase and a Ce-rich fluorite oxide phase. To study the spinodal decomposition of Ru-Ce-O, Ru0.6Ce0.4O2 samples were prepared at 280 °C and 450 °C. XRD and in situ TEM characterization provide proof of the quasi-spinodal decomposition of Ru0.6Ce0.4O2. The present study provides a fundamental reference for the phase design of the Ru-Ce-O electro-catalyst. PMID:25418197

  13. Neutron diffraction study of TiN0.40H0.19D0.19 solid solution

    International Nuclear Information System (INIS)

    Full text: It is of interest to study the distribution of hydrogen isotopes in solid solutions of nitrogen and hydrogen in α-Ti lattice by neutron diffraction. Results of this research can give the important information about the role of hydrogen and solvent atoms as well as of strain interaction energy of interstitial atoms in the formation of structure and phase relationship in hydrogen - containing solid solutions of nitrogen in α-Ti. The aim of the present work is neutron and X-ray diffraction study of distribution of interstitial atoms in α-Ti lattice when isotopic compound of hydrogen atoms is shifted, namely in TiN0.40H0.19D0.19. Neutron diffraction patterns were obtained using the neutron diffractometer D N-500 of INP AS RUz ( λ = 1.085 A), X-ray patterns - using the X-ray diffractometer DRON-3M ( λ = 1.5418 A). The treatment of neutron diffraction patterns was carried out using the Rietveld full-profile analysis (program of DBW 3.2). The sample was prepared by Siverts method in the Institute of General and Inorganic Chemistry of RAS. According to X-ray diffraction pattern, the sample was single-phase and had hexagonal unit cell (a = 3.009; c = 4.875 A). Neutron diffraction pattern of the solid solution was indexed within the framework of space group. The neutron diffraction pattern can be accounted for only if to assume that all nitrogen atoms locate in the octahedral interstices 1(a) with coordinates 0, 0, 0; and hydrogen and deuterium isotopes locate in one type of tetrahedral interstices of two - 2 (d) - with coordinates 1/3, 2/3, z; 2/3, 1/3, z, but with different coordinate z: zH = 0.795± 0.007 and zD = 0.582± 0.004. At that, the divergence factors on Bragg maxima RBr = 5.9 %. If to assume that N and D have identical coordinate z, firstly, RBr increases up to 20 %; secondly, at that the error of determining z sharply increases, so that dz ≅ z. Therefore, the crystal structure of the sample under study is analogous with the structure which was

  14. Effect of octupole interaction on the rotational motion of rotors in a solid Kr-CD4 solution

    International Nuclear Information System (INIS)

    The heat capacity of solid (CD4)nKr1-n solutions with CD4 concentrations n = 0.09, 0.17, 0.25, 0.35 and solutions with n = 0.25 doped with 0.0005, 0.0021 and 0.0123 of O2 impurity has been investigated at T 0.6-30 K. It is found that the molecular field responsible for a qualitative change in the rotational motion of the rotators increases sharply as the number of nearest neighbours increases from one to three. Below 1.6 K the temperature dependence of the heat capacities of the rotational subsystems of the solutions can be described by a sum of the contributions made by molecules finding themselves in effective weak, moderate and strong molecular fields. The average concentration and the effective energy differences between the ground and the first excited energy levels of the CD4 molecules in the above mentioned fields have been estimated. It is shown that the considerable changes in the experimental heat capacities of the rotational subsystem normalized to a mole of rotors are mostly due to the changes in the relative concentrations x(n) of the rotors in these molecular fields. Above T = 0.6 K the nuclear-spin A, T and E species of the molecules reach equilibrium distribution within one measurement of the heat capacity. The O2 impurity is found to produce great influence on the heat capacity of the rotational subsystem in the solution with n = 0.25 and the equilibrium composition of the nuclear-spin species of the molecules

  15. Formation of solid particles from aqueous solutions of palladium sulfate and of palladium sulfate-silver sulfate by gamma ray irradiation

    International Nuclear Information System (INIS)

    Aqueous solutions containing (a) palladium sulfate (b) palladium sulfate and silver sulfate, and (c) silver sulfate saturated with nitrogen were irradiated with cobalt 60 gamma radiations (dose rate, 2.35 and 11.2 kGy/h; temperature: 10 and 29-45degC). The pH's of the most solutions were 1.43 or 0.43. Formation of fine particles was studied from the decrease of optical absorption of the metal ions, and from mass measurement of solid precipitate. It was found that (1) palladium ion decreased with dose in the solutions (a) and (b) with appearance of continuum spectra from 200-700nm range due to solid particles, and (2) silver ion decreased with increasing dose in solution (b) while it did not decrease in solution (c), and (3) electric conductive precipitate was formed in solution (a) and solution (b), but no precipitate was found in solution (c) by the irradiation. The results indicate that (1) palladium ion was reduced to form metallic precipitate in any condition studied, but (b) silver ion was reduced only in the presence of palladium ion, and (3) bimetallic particles were formed in solution (b). The amounts of the precipitates recovered from the irradiated solutions were 57% for solution (a) and 97% for (b) of the amounts of ions reacted. (author)

  16. Effect of a solid/liquid interface on bulk solution structures under flow

    International Nuclear Information System (INIS)

    It has been known for some time that a shear field can impart enough energy to a liquid system for it to exhibit a phase change. Not as well appreciated is the fact that non Newtonian solutions can be driven into a quasi phase separation due to the vastly different shear rates between the bulk and near surface regions. Using a variety of scattering techniques the authors have probed the interfacial and near surface region of a system of wormlike colloidal particles under flow separately from the bulk. They find that the hexagonal phase which forms under flow near the surface, does not persist into the bulk. They also present data showing substantial differences in the kinetics of alignment and relaxation of the two phases

  17. Aggregation and spectral properties of Mg(II) tetracarboxyphthalocyanine in aqueous solutions and solid xerogels

    Science.gov (United States)

    Arabei, S. M.; Novik, D. V.; Pavich, T. A.; Solov'ev, K. N.

    2007-03-01

    Based on spectroscopic studies of magnesium(II) tetracarboxyphthalocyanine molecules in liquid solutions, we have determined the role of the carboxyl groups and the aqueous medium during formation of associates. We have shown that the Q band of the associated form is split into two components of frequency separated by ˜250 cm-1. The effect of the nature of the gel matrices on the spectral luminescence properties of magnesium(II) tetracarboxyphthalocyanine has been studied by incorporating the pigment into a series of xerogels differing in the chemical structure of the inorganic framework and the nanopore surface area. We discuss the reasons for the appearance of associated forms of the pigment in different xerogels.

  18. Solid-State and Solution Structures of Glycinimine-Derived Lithium Enolates.

    Science.gov (United States)

    Jin, Kyoung Joo; Collum, David B

    2015-11-18

    A combination of crystallographic, spectroscopic, and computational studies was applied to study the structures of lithium enolates derived from glycinimines of benzophenone and (+)-camphor. The solvents examined included toluene and toluene containing various concentrations of tetrahydrofuran, N,N,N',N'-tetramethylethylenediamine (TMEDA), (R,R)-N,N,N',N'-tetramethylcyclohexanediamine [(R,R)-TMCDA], and (S,S)-N,N,N',N'-tetramethylcyclohexanediamine [(S,S)-TMCDA]. Crystal structures show chelated monomers, symmetric disolvated dimers, S4-symmetric tetramers, and both S6- and D3d-symmetric hexamers. (6)Li NMR spectroscopic studies in conjunction with the method of continuous variations show how these species distribute in solution. Density functional theory computations offer insights into experimentally elusive details. PMID:26554898

  19. Recovery of uranium from the Syrian phosphate by solid-liquid method using alkaline solutions

    International Nuclear Information System (INIS)

    Uranium concentrations were analyzed in the Syrian phosphate deposits. Mean concentrations were found between 50 and 110 ppm. As a consequence, an average phosphate dressing of 22 kg/ha phosphate would charge the soil with 5-20 g/ha uranium when added as a mineral fertilizer. Fine grinding phosphate produced at the Syrian mines was used for uranium recovery by carbonate leaching. The formation of the soluble uranyl tricarbonate anion UO2(CO3)34- permits use of alkali solutions of sodium carbonate and sodium bicarbonate salts for the nearly selective dissolution of uranium from phosphate. Separation of iron, aluminum, titanium, etc., from the uranium during leaching was carried out. Formation of some small amounts of molybdates, vanadates, phosphates, aluminates, and some complexes metal was investigated. This process could be used before the manufacture of TSP fertilizer, and the final products would contain smaller uranium quantities. (author)

  20. Action of chelators on solid iron in phosphate-containing aqueous solutions

    International Nuclear Information System (INIS)

    To study the effect of strong iron-ligands on steel corrosion, mild steel electrodes were immersed in solutions containing 20 mM phosphate buffer (pH=7.2) and between 0.01 mM and 1 M of either the iron(II)-chelators 2,2'-bipyridine or FerroZine, or the iron(III)-chelators citrate or acetylacetonate. Resulting surface reactions were investigated by quantifying the electrochemical potential (E), the electrochemical polarization resistance (Rp), the corrosion current (Icorr) and the release of iron into solution. The surface was further analyzed by scanning electron microscopy (SEM/SEM-EDAX) and atomic force microscopy. Concentrations of 0.1 mM of any of the chelators led to slight, temporary changes in E, Icorr and Rp. Concentrations of 10 mM resulted in characteristic changes of E, which were the same for all chelators and in the precipitation of FePO4 in the case of citrate and acetylacetonate, or vivianite [Fe3(PO4)2 · 8H2O] in the case of bipyridine and FerroZine. Concentrations of 1 mM of both iron(III)-chelators led to a temporary drop of E similar to that found with 0.1 mM chelator. With iron(II)-chelators, E dropped to about -500 mV before oscillating for several days. The amplitudes of the oscillations were up to 200 mV with periods of 30 and 20-25 min for bipyridine and FerroZine, respectively

  1. Cr(VI) removal in acidic aqueous solution using iron-bearing industrial solid wastes and their stabilisation with cement.

    Science.gov (United States)

    Singh, I B; Singh, D R

    2002-01-01

    In this study, iron-bearing industrial solid wastes iron filings, ETP sludge of steel and red mud of aluminium industries; were used for Cr(VI) removal at pH 3. A complete removal of Cr(VI) was found for initial 10 mg 1(-1) of 100 ml solutions in the presence of 2.5 g iron filings, 8 g ETP sludge and 10 g red mud for up to one hour of shaking at room temperature. After Cr(VI) removal, inclusion of chromium on the reacted iron filing surface was demonstrated by EDAX analysis. Leachability of chromium and iron from the reacted wastes was determined by using Toxicity Characteristics Leaching Procedure (TCLP). This test showed a very low level of leachability of chromium as Cr(III) and iron from the reacted wastes. To minimise their leachability further, Cr(VI)-reacted solid wastes were stabilised with Portland cement in their 3:1 ratio. Leachability tests of stabilised wastes by TCLP indicated a considerable decrease in leachability of chromium and iron compared with the that of reacted wastes alone. To explore the possibility of utilisation in building materials, bricks of cement-mixed Cr(VI)-reacted wastes were made and their comprehensive strength, durability and leachability under immersion conditions were measured. PMID:11918404

  2. Comparison of solid, slurry and solution sampling techniques for the determination of Pb and Cu in black and red pepper

    International Nuclear Information System (INIS)

    Complete text of publication follows. Three sample introduction techniques namely solid, slurry and solution for the determination of Pb and Cu in black and red pepper by graphite furnace atomic absorption spectrometry were compared. Finely grinded and dried samples were dissolved by microwave assisted digestion method using HNO3/ H2O2 mixture and directly pipetted into the graphite furnace. In slurry method, 0.1 to 0.5 g of sample was dispersed in 0.5 ml of 1% Triton X-100. After being vortexed for homogenization, the slurried samples were introduced into the furnace. Finally, the powdered samples were directly analyzed by solid sampling technique. The effects of modifier, pyrolysis temperature, atomization temperature, sample mass etc on the determination of the analytes were investigated. Aqueous standards were used for the three techniques. The methods were applied for determination of lead and copper in pepper samples acquired commercially available in Istanbul, Turkey and results were statistically compared. The advantages and disadvantages of the methods were discussed.

  3. Spin states of cobalt and the thermodynamics of Sm1 - x Ca x CoO3 - δ solid solutions

    Science.gov (United States)

    Vasil'chikova, T. N.; Kuz'mova, T. G.; Kamenev, A. A.; Kaul', A. R.; Vasil'ev, A. N.

    2013-03-01

    In the rare-earth SmCoO3 perovskite, Co3+ ions at low temperatures appear to be in the low-spin state with S = 0, t {2/g 2} e {/g 0}. If Ca2+ ions partially substitute Sm3+ ions, oxygen deficient Sm1 - x Ca x CoO3 - δ solid solutions with δ = x/2 appear. The oxygen deficiency leads to the formation of pyramidally coordinated cobalt ions Co{pyr/3+} in addition to the existing cobalt ions Co{oct/3+} within the oxygen octahedra. Even at low temperatures, these ions have a magnetic state, either S = 1, t {2/g 5} e {/g 1} or S = 2, t {2/g 4} e {/g 2}. At low temperatures, the magnetization of Sm1 - x Ca x CoO3 - δ is mainly determined by the response of Co{pyr/3+} ions. Owing to the characteristic features of the crystal structure of the oxygen deficient perovskite, these ions form a set of nearly isolated dimers. At high temperatures, the magnetization of Sm1 - x Ca x CoO3 - δ is mainly determined by the response of Co{oct/3+} ions, which exhibit a tendency to undergo the transition from the S = 0, t {2/g 6} e {/g 0} state to the S = 1, t {2/g 5} e {/g 1} or S = 2, tt {2/g 4} e {/g 2} state. In addition, the magnetization and specific heat of the solid solutions under study include the contribution from the rare-earth subsystem, which undergoes a magnetic ordering at low temperatures.

  4. Quercetin/beta-cyclodextrin solid complexes prepared in aqueous solution followed by spray-drying or by physical mixture.

    Science.gov (United States)

    Borghetti, Greice S; Lula, Ivana S; Sinisterra, Ruben D; Bassani, Valquiria L

    2009-01-01

    The present study was designed to investigate the influence of operating conditions (temperature, stirring time, and excess amount of quercetin) on the complexation of quercetin with beta-cyclodextrin using a 2(3) factorial design. The highest aqueous solubility of quercetin was reached under the conditions 37 degrees C/24 h/6 mM of quercetin. The stoichiometric ratio (1:1) and the apparent stability constant (Ks = 230 M(-1)) of the quercetin/beta-cyclodextrin complex were determined using phase-solubility diagrams. The semi-industrial production of a 1:1 quercetin/beta-cyclodextrin solid complex was carried out in aqueous solution followed by spray-drying. Although the yield of the spray-drying process was adequate (77%), the solid complex presented low concentration of quercetin (0.14%, w/w) and, thus, low complexation efficiency. The enhancement of aqueous solubility of quercetin using this method was limited to 4.6-fold in the presence of 15 mM of beta-cyclodextrin. Subsequently, an inclusion complex was prepared via physical mixture of quercetin with beta-cyclodextrin (molar ratio of 1:1 and quercetin concentration of 23% (w/w)) and characterized using infrared spectroscopy, differential scanning calorimetry, nuclear magnetic resonance spectroscopy, and scanning electron microscopy analyses. The enhancement of aqueous solubility of quercetin using this method was 2.2-fold, similar to that found in the complex prepared in aqueous solution before the spray-drying process (2.5-fold at a molar ratio of 1:1, i.e., 6 mM of quercetin and 6 mM of beta-cyclodextrin). PMID:19280349

  5. Crystallographic and optical properties of Cu2Zn(Sn1-xGex)Se4 solid solution

    Science.gov (United States)

    Morihama, Masaru; Gao, Feng; Maeda, Tsuyoshi; Wada, Takahiro

    2014-01-01

    Cu2Zn(Sn1-xGex)Se4 (CZTGSe) solid solution powders with x = 0.0-1.0 were synthesized by mixing the elemental powders and heating at 600 °C for 5 h in an N2 gas atmosphere. Crystal structures of all CZTGSe samples were analyzed by Rietveld analysis of X-ray diffraction data on the basis of the tetragonal kesterite structure. Rietveld analysis showed that the lattice parameters, a and c, linearly decreased with increasing Ge content. The band gap energies of the CZTGSe solid solutions were determined by diffuse-reflectance spectra. The band gap energy (Eg) linearly increased from 0.99 eV for Cu2ZnSnSe4 (CZTSe) (x = 0.0) to 1.35 eV for Cu2ZnGeSe4 (CZGSe) (x = 1.0) by increased Ge content. We fabricated Cu2Zn(Sn,Ge)Se4 films by a screen printing and high-pressure sintering (PHS) process. The CZTGSe films were post-annealed at 550 °C for 10 min under H2S gas atmosphere. The Cu2Zn(Sn1-xGex)(S,Se)4 (CZTGSSe) solar cells with the device structure of Ag/ITO/i-ZnO/CdS/CZTGSSe/Mo/soda-lime glass showed an efficiency of 2.68%, with a Voc of 268 mV, a Jsc of 22.1 mA/cm2, and an FF of 45.2%.

  6. Integrated Treatment and Storage Solutions for Solid Radioactive Waste at the Russian Shipyard Near Polyarny

    Energy Technology Data Exchange (ETDEWEB)

    Griffith, A.; Engoy, T.; Endregard, M.; Busmundrud, O.; Schwab, P.; Nazarian, A.; Krumrine, P.; Backe, S.; Gorin, S.; Evans, B.

    2002-02-27

    Russian Navy Yard No. 10 (Shkval), near the city of Murmansk, has been designated as the recipient for Solid Radioactive Waste (SRW) pretreatment and storage facilities under the Arctic Military Environmental Cooperation (AMEC) Program. This shipyard serves the Northern Fleet by servicing, repairing, and dismantling naval vessels. Specifically, seven nuclear submarines of the first and second generation and Victor class are laid up at this shipyard, awaiting defueling and dismantlement. One first generation nuclear submarine has already been dismantled there, but recently progress on dismantlement has slowed because all the available storage space is full. SRW has been placed in metal storage containers, which have been moved outside of the actual storage site, which increases the environmental risks. AMEC is a cooperative effort between the Russian Federation, Kingdom of Norway and the United States. AMEC Projects 1.3 and 1.4 specifically address waste treatment and storage issues. Various waste treatment options have been assessed, technologies selected, and now integrated facilities are being designed and constructed to address these problems. Treatment technologies that are being designed and constructed include a mobile pretreatment facility comprising waste assay, segregation, size reduction, compaction and repackaging operations. Waste storage technologies include metal and concrete containers, and lightweight modular storage buildings. This paper focuses on the problems and challenges that are and will be faced at the Polyarninsky Shipyard. Specifically, discussion of the waste quantities, types, and conditions and various site considerations versus the various technologies that are to be employed will be provided. A systems approach at the site is being proposed by the Russian partners, therefore integration with other ongoing and planned operations at the site will also be discussed.

  7. Co-extruded solid solutions as immediate release fixed-dose combinations.

    Science.gov (United States)

    Dierickx, L; Van Snick, B; Monteyne, T; De Beer, T; Remon, J P; Vervaet, C

    2014-10-01

    The aim of this study was to develop by means of co-extrusion a multilayer fixed-dose combination solid dosage form for oral application characterized by immediate release for both layers, the layers containing different drugs with different water-solubility. In this study polymers were selected which can be combined in a co-extruded dosage form. Several polymers were screened on the basis of their processability via hot-melt extrusion, macroscopic properties, acetylsalicylic acid (ASA) decomposition and in vitro drug release. ASA and fenofibrate (FF) were incorporated as hydrophilic and hydrophobic model drugs, respectively. Based on the polymer screening experiments Kollidon® PF 12 and Kollidon® VA 64 were identified as useful ASA carriers (core), while Soluplus®, Kollidon® VA 64 and Kollidon® 30 were applicable as FF carriers (coat). The combination of Kollidon® 30 (coat) with Kollidon® PF 12 or Kollidon® VA 64 (core) failed in terms of processability via co-extrusion. All other combinations (containing 20% ASA in the core and 20% FF in the coat) were successfully co-extruded (diameter core: 2mm/thickness coat: 1mm). All formulations showed good adhesion between core and coat. ASA release from the core was complete within 15-30 min (Kollidon® PF 12) or 30-60 min (Kollidon® VA 64), while FF release was complete within 20-30 min (Kollidon® VA 64) or 60 min (Soluplus®). Differential scanning calorimetry (DSC) and X-ray diffraction (XRD) revealed that both drugs were molecularly dispersed in the carriers. Raman mapping exposed very little intermigration of both drugs at the interface. Fixed-dose combinations with good in vitro performance were successfully developed by means of co-extrusion, both layers providing immediate release. PMID:25008213

  8. SYNTHESIS OF MgO, ZnO AND Al2O3 BY SOLID AND SOLUTION COMBUSTION PROCESSES AND STUDY OF THEIR PERFORMANCES IN Co2+ UPTAKE

    Directory of Open Access Journals (Sweden)

    H. PFEIFFER

    2012-09-01

    Full Text Available The study discusses the effect of magnesium, zinc and aluminum oxides prepared by the solid and solution-combustion process. The powders were synthesized by using different urea to metal nitrates ratio and different water concentrations in the solutions. They were characterized by X-ray diffraction, BET surface area and their performance in Co2+ uptake from aqueous solutions was studied. Results showed that water addition up to a certain limit during the solution combustion method modified the textural properties of the different oxides and that powders obtained by this process have interesting properties, increase the capacity to uptake Co2+ present in water, and increase the surface area of the materials. It was also found that further increments of water in the solutions decreased the Co2+ uptake capacity of the obtained solids. Results with Co2+ ions indicate that they are readily related to the solids prepared by solution combustion processes. It was found that that solution combustion favors cobalt uptake, depending on the amount of water used in the solution.

  9. Obtaining of crystals of polyelemental solid solutions of rare earth hexaborides

    Science.gov (United States)

    Makeev, K. M.; Gurin, V. N.; Derkachenko, L. I.; Volkov, M. P.; Kuzanyan, A. S.; Kuzanyan, A. A.; Popova, T. B.; Ivanova, E. V.

    2016-01-01

    Single crystals of polyelemental rare earth hexaborides with the preset formula La0.5(Ce0.1Pr0.1Nd0.1Sm0.1Eu0.1)B6 were obtained for the first time. Synthesis and crystallization were performed by the solution-melt method in an immiscible Al/Pb system. Step-by-step chemical analysis was made with the aid of a CAMEBAX microprobe. The inclusion of all rare earth metals (REMs) in the hexaboride lattice was proven, and differences in the composition of obtained crystals caused by nonstationarity of the bulk crystallization process were found. The lattice periods of the polyelemental REM hexaborides were found to be smaller than that of hexaboride of lanthanum, the main element of the metal sublattice. The measured microhardness of the new material lies within the range of the microhardness values of hexaborides of all its constituent REMs. Speculations are provided on the peculiarities of the growth mechanism, crystallization, and composition of the obtained crystals.

  10. Studies on actinide partitioning of high level waste solutions by technical scale solid phase extraction

    International Nuclear Information System (INIS)

    The twin column concept is designed to enhance the field of application of front chromatography. Operating in that mode, we could demonstrate, that the concentration curve of the chromatographic column effluent is composed of two fractions, the wall and interior fraction, having each a breakthrough volume at CBT/Cfeed = 50 % for the interior fraction (VBT) and CBO/Cfeed = φP/φC for the wall fraction (VBO). The corresponding volume ratio amounts to π/(π+2) = 0.61. On this basis, we established a chromatographic array composed of feed tank - 1. column - detector - 2. column - product tank and loaded the 1. column, until 1.22 VBT of feed has been conveyed through the column set. Then, CBO has been reached in the 2. column effluent. We can, thus, control the process below the detection limits of commercially available monitors. We employed the concept, to investigate the long-term behaviour of extractants recommended for the HLW partitioning. We could demonstrate, that CMPO appears to be an adequate extractant for partitioning HLW solutions in an actinide/lanthanide fraction and a fission/corrosion product fraction. However, we could not confirm, that (C1-C6H4)2=PS2H is sufficiently stable to maintain the chemical properties required for an actinide/lanthanide fractionation. We used one column filling with 10 g CMPO to process in total 1001 feed, thus economizing our studies. (author)

  11. Mechanical behavior and coupling between mechanical and oxidation in alloy 718: effect of solide solution elements

    International Nuclear Information System (INIS)

    Alloy 718 is the superalloy the most widely used in industry due to its excellent mechanical properties, as well as oxidation and corrosion resistance in wide range of temperatures and solicitation modes. Nevertheless, it is a well-known fact that this alloy is sensitive to stress corrosion cracking and oxidation assisted cracking under loading in the range of temperatures met in service. Mechanisms explaining this phenomenon are not well understood: nevertheless, it is well established that a relation exists between a change in fracture mode and the apparition of plastic instabilities phenomenon. During this study, the instability phenomenon, Portevin-Le Chatelier effect, in alloy 718 was studied by tensile tests in wide ranges of temperatures and strain rates. Different domains of plastic instabilities have been evidenced. Their characteristics suggest the existence of interactions between dislocations and different types of solute elements: interstitials for lower temperatures and substitutionals for higher testing temperatures. Mechanical spectroscopy tests have been performed on alloy 718 and various alloys which composition is comparable to that of alloy 718. These tests prove the mobility of molybdenum atoms in the alloy in the studied temperature range. Specific tests have been performed to study interaction phenomenon between plasticity and oxidation. These results highlight the strong effect of plastic strain rate on both mechanical behavior and intergranular cracking in alloy 718. The subsequent discussion leads to propose hypothesis on coupling effects between deformation mechanisms and oxidation assisted embrittlement in the observed cracking processes. (author)

  12. Structure studies of uranium complexes with macrocycles in solid phase and in solution

    International Nuclear Information System (INIS)

    The molecular structure of uranium complexes is determined by X-ray diffraction for monocrystals, paramagnetic NMR for solutions and EXAFS for both. The last method can be applied for any oxidation degree of uranium. Solubilization of uranyl and uranium IV hydroxides by cyclodextrins is evidenced and complexation is shown by NMR and polarography. The [222] cryptand diamine-N-oxide was synthesized and the structure of various compounds of this macrocycle is studied. Insertion of uranium III in 18-crown-16 is studied by EXAFS in the complex U3 (BH4)9 (18-crown-6)2. The structure of the uranium complex U(BH4)2 dicyclohexyl-(18-crown-6)B)2+UCl5BH4)2- is determined by X-ray diffraction. NMR shows that 18-crown-6 and B isomer of dicyclohexyl 18-crown-6 stabilize the cation U(BH4)2+ in dichloromethane and [222] cryptand stabilizes U(BH4)3 in nitromethane

  13. Solubility and crystallographic facet tailoring of (GaN)1-x(ZnO)x pseudobinary solid-solution nanostructures as promising photocatalysts

    Science.gov (United States)

    Li, Jing; Liu, Baodan; Yang, Wenjin; Cho, Yujin; Zhang, Xinglai; Dierre, Benjamin; Sekiguchi, Takashi; Wu, Aimin; Jiang, Xin

    2016-02-01

    (GaN)1-x(ZnO)x solid-solution nanostructures with superior crystallinity, large surface areas and visible light absorption have been regarded as promising photocatalysts for overall water splitting to produce H2. In this work, we report the preparation of (GaN)1-x(ZnO)x solid-solution nanorods with a high ZnO solubility up to 95% via a two-step synthetic route, which starts from a sol-gel reaction and follows with a nitridation process. Moreover, we clearly demonstrated that the crystallographic facets of (GaN)1-x(ZnO)x solid-solution nanorods can be finely tailored from non-polar {101&cmb.macr;0} to semipolar {101&cmb.macr;1} and then finally to mixed {101&cmb.macr;1} and polar {0001&cmb.macr;} by carefully controlling the growth temperature and nitridation time. Correspondingly, the ZnO content in the GaN lattice can be achieved in the range of ~25%-95%. Room-temperature cathodoluminescence (CL) measurements on the three types of (GaN)1-x(ZnO)x solid-solution nanorods indicate that the minimum band-gap of 2.46 eV of the solid-solution nanorods is achieved under a ZnO solubility of 25%. The efficiency and versatility of our strategy in the band-gap and facet engineering of (GaN)1-x(ZnO)x solid-solution nanorods will enhance their promising photocatalytic utilizations like an overall water splitting for H2 production under visible-light irradiation.(GaN)1-x(ZnO)x solid-solution nanostructures with superior crystallinity, large surface areas and visible light absorption have been regarded as promising photocatalysts for overall water splitting to produce H2. In this work, we report the preparation of (GaN)1-x(ZnO)x solid-solution nanorods with a high ZnO solubility up to 95% via a two-step synthetic route, which starts from a sol-gel reaction and follows with a nitridation process. Moreover, we clearly demonstrated that the crystallographic facets of (GaN)1-x(ZnO)x solid-solution nanorods can be finely tailored from non-polar {101&cmb.macr;0} to semipolar {101&cmb

  14. Dependence of ferroelectric rigidity degree of sodium-lithium niobate base solid solutions on the degree of A-O bond covalence

    International Nuclear Information System (INIS)

    One generalized the results of investigations into solid solutions of xNaNbO3-yLiNbO3-zA'0.5NbO3 type three-component systems where A' - Sr, Pb, Cd. The degree of ferroelectric rigidity of (Na, Li, A'0.5)NbO3 system solid solutions was determined to depend directly on the total electronegativity of A(EOΣA) elements and, thus, on degree of covalency of A-O bond under B = const. On the basis of EOΣA values and of position on phase diagram one may determine the optimal combinations of parameters of solid solutions for devices operating both in high-frequency (A' = Sr, Pb) and in mid-frequency (A' = Cd) ranges, as well as in the increased temperature range (A' = Cd)

  15. Characterization of nanostructured alpha-Fe2O3-SnO2 solid solutions prepared by high energy ball milling

    DEFF Research Database (Denmark)

    Jiang, Jianzhong; Lin, R.; Mørup, Steen

    Solid solutions of SnO2 in alpha-Fe2O3 with SnO2 contents up to 20+-4 mol% have been prepared by mechanical alloying of alpha-Fe2O3 and SnO2 powder blends. X-ray diffraction and Mossbauer spectroscopy investigations show that the mechanical milling results in alloying on an atomic scale and that...... true solid solution formation occurs. We suggest that the high defect concentration and the chemical enthalpy of Fe3+ -O2- -Sn4+ interfaces between nanostructured alpha-Fe2O3 and SnO2 regions may serve as a driving force for the formation of a solid solution in the immiscible ceramic system....

  16. Extraction of scandium by liquid and introduced into polymeric matrix of solid extractant tributylphosphate from hydrochloric acid solutions according to 31P and 45Sc NMR data

    International Nuclear Information System (INIS)

    Scandium extraction from 8M HCl solutions by 100% TBP, 50% TBP solution in CCl4 and solid extractant containing 50% TBP has been studied. It is shown that in the course of extraction by TBP solution in CCl4 less polar complexes prevail, which have a smaller number of H2O molecules, while in 100% TBP - polar forms with the charge from 1+ to 3+ and a greater number of H2O molecules. Complexes in solid extractant - TBP occupy an intermediate position. The observed difference in scandium extraction is explained by the change in the composition of the complexes extracted brought about by solvent and solid extractant polymeric matrix effect. Refs. 21, figs. 5, tabs. 2

  17. Indium oxide base solid solutions with HfO2, CeO2, TiO2 additions and their some properties

    International Nuclear Information System (INIS)

    Indium oxide interaction with hafnium, cerium and titanium oxides at 800-1600 deg C in the air, as well as some physical properties of the reaction products are studied. It is ascertained that a solid solution of substitution-deduction-introduction based on indium oxide and a solid solution based on HfO2 of a cubic fluorite structure are produced in In2O3-HfO2 system. These phases are stable within 500-1200 deg C interval. A solid solution of substitution-deduction, stable at 500-1200 deg C, is also produced in In23-CeO2 system. 8 refs.; 5 figs.; 3 tabs

  18. Calcium-magnesium carbonate solid solutions from Holocene conglomerate cements and travertines in the Coast Range of California

    Science.gov (United States)

    Barnes, I.; O'Neil, J.R.

    1971-01-01

    Two calcium-magnesium carbonate solid solutions form Holocene travertines and conglomerate cements in fresh water stream channels of the Coast Range of California. Calcite does not yield the {015} diffraction maximum. The {006} diffraction maximum is lacking over most of the range of composition of calcite. Calcite has compositions from CaCO3 to Ca0.5Mg0.5CO3. Dolomite yields both the {006} and {015} diffraction maxima over its entire composition range, Ca0.6Mg0.4CO3 to Ca0.5Mg0.5CO3. The Ca-Mg carbonates form in isotopic equilibrium and thermodynamic disequilibrium from dispersion of Ca2+-rich water into CO32--rich water within the alluvium. The stable isotope data suggest that all the Mg-rich carbonates are primary precipitates and not a result of Mg-substitution in precursor CaCO3. There is a correlation between ??C13 and Mg content of the carbonates which predicts a 5%. fractionation of C13 between dolomite and calcite at sedimentary temperatures. C14 is incorporated in Ca-Mg carbonates forming from C13-poor meteoric waters and C13-rich waters from Cretaceous sediments. C14 ages of the Ca-Mg carbonates are apparent, and cannot be corrected to absolute values. Solution rates of calcite decrease with increasing MgCO3 content; dolomite dissolves slower than any calcite. ?? 1971.

  19. Geochemical and geomechanical solid-solutions interactions in unsaturated media. Prospects for the storage of nuclear waste

    International Nuclear Information System (INIS)

    Porous materials, especially the unsaturated ones, are complex systems in which several physicochemical parameters interact (eg relative humidity, T C, pore solution composition, geometry of the pore network). The precipitation of secondary phases inside and the associated changes (e.g. topology of the porous spaces) are important to understand for several applied topics: civil engineering, soil science or geology of deep wastes disposal. This experimental work was undertaken to better understand the mechanisms linking geochemical phase transitions and physicochemical properties of multiphasic porous media. The precipitation of salts in porous synthetic materials allowed us to identify two types of geochemistry-geomechanics coupling: the crystallization pressure (compression phenomenon, already known in the literature), and the capillary traction. These secondary precipitates are also responsible for a porous networks heterogenization which modifies the transfer functions. But we also show that the portions of liquid may be isolated by salts 'corks' and thus develop new thermochemical properties. In particular, we have observed cavitation events in some of these occluded solutions which indicate that they underwent a metastable superheated state. Finally, differential extraction experiments showed that the solubility changes with the pore size, and an interpretation based on pore geometry (solid curvature) has been proposed. Some evidence that these phenomena may actually be active in natural processes were collected, and this extension to the natural environment must now be treated extensively. (authors)

  20. Coordination chemistry in the solid: evidence for coordination modes within hybrid materials different from those in solution.

    Science.gov (United States)

    Corriu, Robert J P; Embert, Frank; Guari, Yannick; Reyé, Catherine; Guilard, Roger

    2002-12-16

    Two routes of incorporation of europium(III) salts into cyclam-containing hybrid materials have been explored, to elucidate the coordination mode of EuIII in cyclam-containing hybrid materials in a study of the arrangement of cyclam moieties during the solgel process. They were 1) complexation of europium salts by N-tetrasubstituted 1,4,8,11-tetraazacyclotetradecane (cyclam) derivatives bearing four hydrolysable Si(OEt)3 groups, followed by hydrolysis and polycondensation of these complexes; and 2) hydrolysis and polycondensation of N-tetrasubstituted silylated cyclam derivatives, then incorporation of europium salts directly into the hybrid materials. The coordination mode of europium salts within solids is not the same as in solution. In solution, the complexation of EuIII with cyclam is not possible; it requires cyclam derivatives containing N-chelating substituents such as amido groups in an appropriate geometry. In contrast, the incorporation of EuIII into hybrid materials is always possible, whatever the nature of the arms of the cyclam moieties. Thus, EuIII uptake is one EuIII/two macrocycles with cyclam moieties containing N-alkyl substituents. This constitutes the first example of 4N + 4N lanthanide coordination. PMID:12693055

  1. Solution behavior and solid phase transitions of quaternary ammonium surfactants with head groups decorated by hydroxyl groups.

    Science.gov (United States)

    Song, Binglei; Shang, Shibin; Song, Zhanqian

    2012-09-15

    Hydrogen bonds are strong intermolecular interactions, which are very important in molecular aggregation and new phase formation. Three long-chain quaternary ammonium surfactants, N,N-diethyl-N-(2-hydroxyethyl)-N-octadecylammonium bromide with one hydroxyl group, N-ethyl-N,N-bis (2-hydroxyethyl)-N-octadecylammonium bromide with two hydroxyl groups and N,N,N-tris (2-hydroxyethyl)-N-octadecylammonium bromide with three hydroxyl groups, abbreviated as SHQ, DHQ, and THQ, respectively, were synthesized in this work. Their solution behavior and solid phase transitions were investigated by surface tension, differential scanning calorimetry (DSC), X-ray diffraction (XRD), polarizing optical microscopy (POM), and Infrared (IR) spectroscopy. The hydrogen bonds introduced by the substituted hydroxyl groups promoted surfactant adsorption at the air/water interface and aggregation in solution. In the crystal state, an increased number of hydroxyl groups caused a larger tilt angle of the long axis of surfactant molecules with the layer normal. Above certain temperatures, SHQ and DHQ formed highly ordered smectic T and smectic A phases while THQ only formed less ordered smectic A phase. The weakened electrostatic attractions between opposite ions and the thicker polar sublayers of mesophases caused by the enhanced number of hydrogen bonds are responsible for the mesophase formation and transition of these surfactants. PMID:22762982

  2. Simultaneous surface coating and chemical activation of the Li-rich solid solution lithium rechargeable cathode and its improved performance

    International Nuclear Information System (INIS)

    In this study, highly dispersive spherical Li-rich solid solution (Li1.2Mn0.54Ni0.13Co0.13O2) particles are successfully synthesized by a co-precipitation method. Then these particles are treated with aluminum nitrates ethanol solution at 80 °C. The treatment can extract lithium (Li2O) from the Li2MnO3 component in the composite of Li1.2Mn0.54Ni0.13Co0.13O2. Simultaneously, a thin layer of Al2O3 can be precipitated on the surface of the electrode particles via direct thermal decomposition of aluminum nitrates. After treatment, the first-cycle coulombic efficiency of the electrode increases from 72.1% to 93.6%, meanwhile it shows a superior cycling stability at 100 mA g−1 with a discharge capacity of around 220 mAh g−1 and retention of 92.5% after 100 cycles, which is much higher than that of the pristine electrode (83.2%). Even at a high current density of 2 A g−1 (10 C), the discharge capacity could still achieve and well maintain as high as 140 mAh g−1

  3. Ternary Ca-Fe-Mg carbonates: subsolidus phase relations at 3.5 GPa and a thermodynamic solid solution model including order/disorder

    Science.gov (United States)

    Franzolin, E.; Schmidt, M. W.; Poli, S.

    2011-02-01

    Subduction carries atmospheric and crustal carbon hosted in the altered oceanic crystalline basement and in pelagic sediments back into the mantle. Reactions involving complex carbonate solid solutions(s) lead to the transfer of carbon into the mantle, where it may be stored as graphite/diamond, in fluids or melts, or in carbonates. To constrain the thermodynamics and thus reactions of the ternary Ca-Mg-Fe carbonate solid solution, piston cylinder experiments have been performed in the system CaCO3-MgCO3-FeCO3 at a pressure of 3.5 GPa and temperatures of 900-1,100°C. At 900°C, the system has two miscibility gaps: the solvus dolomite-calcite, which closes at X MgCO3 ~0.7, and the solvus dolomite-magnesite, which ranges from the Mg to the Fe side of the ternary. With increasing temperature, the two miscibility gaps become narrower until complete solid solutions between CaCO3-Ca0.5Mg0.5CO3 is reached at 1,100°C and between CaCO3-FeCO3 at 1,000°C. The solvi are characterized by strong compositional asymmetry and by an order-disorder mechanism. To deal with these features, a solid solution model based on the van Laar macroscopic formalism has been calculated for ternary carbonates. This thermodynamic solid solution model is able to reproduce the experimentally constrained phase relations in the system CaCO3-MgCO3-FeCO3 in a broad P-T range. To test our model, calculated phase equilibria were compared with experiments performed in carbonated mafic protolithes, demonstrating the reliability of our solid solution model at pressures up to 6 GPa in complex systems.

  4. Effects of solution treatment and aging process on microstructure refining of semi-solid slurry of wrought aluminum alloy 7A09

    Institute of Scientific and Technical Information of China (English)

    WU Xin; HAN Fei; WANG Wei-wei

    2009-01-01

    A new method was exploited using solution treatment and aging process as a pretreatment in preparing semi-solid slurry with fine microstructure before isothermal treatment of wrought aluminum alloy 7A09. Parameters of pretreatment were optimized by orthogonal experiment design and proper precursor was prepared. The evolution of microstructure of semi-solid slurry during isothermal treatment was analyzed and the mechanism of microstructure refining was discussed. The result of orthogonal experiment design shows that the optimum parameters are 462 ℃ for solution temperature, 40 min for solution time, 132 ℃ for aging temperature and 14 h for aging time. Microstructure of isothermal treatment is fine, homogenous, with globular solid grains and a solid fraction between 50% and 70%, which is qualified for later semi-solid forming process. Mechanism of microstmcture evolution includes the agglomeration of α-phase and Ostwald ripening. Precipitations prepared by solution and aging treatment prevent the grains from coarsening and promote the grain ripening to globular shape.

  5. (Zn, Ca) Solid-Solution Behavior and Its Effect on Luminescence Properties in Ca1- xZnx TiO3: 0.002Pr3+ Phosphors

    Institute of Scientific and Technical Information of China (English)

    2005-01-01

    Nominal composition of Ca1 - xZnxTiO3: 0. 002Pr3 + ( x = 0. 000 ~ 0. 200) phosphors were prepared by conventional solid reaction route. XRD and PL measurements were used to investigate the solid-solution structure and luminescence properties of Zn-doped Ca1- xZnxTiO3:0. 002Pr3 + phosphors. The effect of solid-solution structure formed by substitution between Ca2 + and Zn2 + ions on the luminescent properties was analyzed. The results reveal that, with the increase of Zn substitution content below 0.010, lattice parameters and the intensity of excitation peak at both 260 and 330 nm as well as the corresponding 610 nm emission intensity are monotonously decreased quickly in a similar tendency. Also, the evolution of luminescence intensity and crystal cell parameters against Zn doping concentration are in good agreement.Above results are closely related with the structure change within Ca1- xZnxTiO3:0. 002Pr3 + solid-solution phase formed by the Zn ions substitution for the Ca sites. Present study reveals that the solid-solution structure formed by substitution between Ca2 + and Zn2 + ions has significant effect on the luminescence properties of single phase Ca1- xZnxTiO3:0.002Pr3 +phosphors.

  6. Complexation of Cd(SeCN)2 with imidazolidine-2-thione and its derivatives: Solid state, solution NMR and anti-bacterial studies

    OpenAIRE

    Al-Maythalony, Bassem A.; Wazeer, Mohammed I. M.; Isab, Anvarhusein A.; Nael, M. T.; Ahmad, Saeed

    2008-01-01

    Reactions of imidazolidine-2-thione (Imt), 1,3-diazinane-2-thione (Diaz) and 1,3-diazipane-2-thione (Diap) with Cd(SeCN)2 in acetonitrile resulted in the formation of 2:1 tetrahedral complexes. Both solid state and solution NMR, confirm the exocyclic thione atom to be the donor in all cases. 113Cd shielding tensors and anisotropies were calculated from the solid-state NMR spectra. Based on the solid NMR data, a distorted tetrahedral dispositions of ligands around cadmium is proposed for the I...

  7. Synthesis and Electrochemical Property of Calcium Doped LiNi0.8Co0.2O2 Solid Solution

    Institute of Scientific and Technical Information of China (English)

    Jin Long WANG; Zi Cheng LI; Bin XIONG; Lei XIE; Liang Jie YUAN; Ju Tang SUN

    2003-01-01

    A divalent ion doped LiNi0.8Co0.2O2 solid solution, LiNi0.79Co0.20Ca0.01O2, was synthesized in air at 720℃. The structure and electrochemical property as cathode material of lithium ion batteries were measured by XRD and charge-discharge system. The solid solution showed high capacity and good cycle-ability. The second discharged capacity reached 190 mAh·g-1 at the current density of 100 mA·g-1.

  8. Effects of B-cation electronegativity and B-O-bond covalence on the properties of multicomponent solid solutions based on lead zirconate titanate

    International Nuclear Information System (INIS)

    One studied dependences of structural and electrophysical parameters of solid solutions of Pb(Ti, Zr)O3 - Σn=14(PbB'1-αB''αO3)n type multiple-component systems differing in degree of ferrohardness on the average electronegativity of the elements in B(ENB) position. The degree of ferrohardness of solid solutions is shown to depend directly on ENB being a characteristic of B-O-bond covalence degree. The determined dependences may be applied to predict properties of new piezoceramic materials

  9. Highly selective detection of Zn2+ and Cd2+ with a simple amino-terpyridine compound in solution and solid state

    Indian Academy of Sciences (India)

    Duobin Chao

    2016-01-01

    A simple amino-terpyridine sensor exhibits highly selective detection of Zn2+ and Cd2+ in solution and solid state based on the intramolecular charge transfer (ICT) effect. The detection limits were determined to be 0.184 M for Zn2+ and 0.176 M for Cd2+. Job’s plot experiments suggest a 1:1 binding mode between the sensor and metal ions like Zn2+ and Cd2+. The resulting complexes were found to be emissive in solution and solid state.

  10. Crystallographic and optical properties of CuSbS{sub 2} and CuSb(S{sub 1-x}Se{sub x}){sub 2} solid solution

    Energy Technology Data Exchange (ETDEWEB)

    Takei, Koji; Maeda, Tsuyoshi; Wada, Takahiro, E-mail: twada@rins.ryukoku.ac.jp

    2015-05-01

    We synthesized CuSbS{sub 2} (CAS), CuSbSe{sub 2} (CASe), and their solid solutions by only a mechanochemical process. CAS powder with good crystallinity was obtained by post-heating at 400 and 500 °C. CASe powder with good crystallinity was obtained by post-heating at 400 and 450 °C. The CuSb(S{sub 1-x}Se{sub x}){sub 2} (CASSe) solid solutions with 0.0 ≤ x ≤ 1.0 were synthesized by post-heating at 450 °C. The crystal structure of CASSe was analyzed by Rietveld refinement using X-ray diffraction data. CAS, CASe, and CASSe solid solutions have a chalcostibite structure with an orthorhombic system of space group (Pnma). Both indirect and direct band gap energies of CASSe solid solutions were estimated by the diffuse reflectance spectra of ultraviolet/visible/near-infrared (UV-vis-NIR) spectroscopy. The indirect band gap of the CASSe solid solution linearly decreased from 1.40 eV of CuSbS{sub 2} (x = 0.0) to 1.04 eV of CuSbSe{sub 2} (x = 1.0). The direct band gap of the CASSe solid solution linearly decreased from 1.45 eV of CuSbS{sub 2} (x = 0.0) to 1.08 eV of CuSbSe{sub 2} (x = 1.0). CuSbS{sub 0.8}Se{sub 1.2} (x = 0.6) and CuSbS{sub 0.4}Se{sub 1.6} (x = 0.8) had a suitable band gap of about 1.15 eV for an absorber material of a high-efficiency thin-film polycrystalline solar cell. - Highlights: • We synthesized CuSbS{sub 2} and CuSbSe{sub 2} by only a mechanochemical process. • The CuSb(S{sub 1-x}Se{sub x}){sub 2} solid solutions were synthesized by post-heating at 450 °C. • Indirect and direct band gaps of CuSb(S{sub 1-x}Se{sub x}){sub 2} solid solutions were estimated. • Indirect and direct band gaps of CuSbS{sub 2} were 1.40 and 1.45 eV, respectively. • Indirect and direct band gaps of CuSbSe{sub 2} were 1.04 and 1.08 eV, respectively.

  11. Structural study of (GeTe)1-x[(Ag2Te)0.5333(Bi2Te3)0.4667]x solid solutions

    International Nuclear Information System (INIS)

    The reversible cubic (space group O5h) to rhombohedral (space group C53v) phase transition of GeTe-rich (GeTe)1-x[(Ag2Te)0.5333(Bi2Te3)0.4667]x solid solutions is studied by means of the high temperature X-ray analysis. The temperature and composition changes of the rhombohedral lattice parameters are found. They prove the displacive nature of solid solution phase transition. By increasing the amount of Ge cations replaced by heterovalent Ag and Bi atoms the phase transition temperature Tc decreases. 29 refs., 4 figs. (orig.)

  12. XANES COMPARATIVE STUDY OF RUTILE SOLID SOLUTIONS : (Ti,V)O2, (Ti,Nb)O2 AND (Ti,Ta)O2

    OpenAIRE

    Poumellec, B.; Marucco, J.; Touzelin, B.

    1986-01-01

    We have measured the absorption at Ti K edge, V K edge and Ta L edge in (Ti,V)O2 , (Ti,Nb)O2 and (Ti,Ta)O2 solid solutions. Comparison of the edge spectra of these compounds shows evidence of a partial charge transfer between Ti and Nb and variations of the ligand field and the size of the coordination octahedron. Lastly, we have detected the presence of an excitonic peak at Ti or V edge in all solid solutions.

  13. Mixing enthalpies of solid solutions (Cs1−x, Rbx)NO3 at T = (298.15 and 473.15) K

    International Nuclear Information System (INIS)

    Highlights: • Several calorimetric measures are realized on Cs1−xRbxNO3 at T = (298.15 and 473.15) K. • Solution enthalpies of Cs1−xRbxNO3 at T = 473.15 K are measured, for the first time. • Solution enthalpies of Cs1−xRbxNO3 at T = 298.15 K are obtained, for the first time. • Mixing enthalpies of the Cs1−xRbxNO3 solid solutions are determined, for the first time. • Both mixing enthalpies of solid solutions present a positive deviation from ideality. - Abstract: A previous investigation of the binary phase diagram (Cs, Rb)NO3 has confirmed the existence of two continuous solid solutions α(Cs1−x, Rbx)NO3 and β(Cs1−x, Rbx)NO3 stable in the temperature ranges T = (298 to 421) K and T = (439 to 503) K respectively. The mixing enthalpies of these solid phases, determined by a calorimetric method at T = (298.15 and 473.15) K, are presented for the first time. A positive and asymmetric deviation from ideality is observed

  14. Synthesis, characterization, kinetic and thermodynamic studies of the dissolution of ThO2 and of solid solutions Th1-xMxO2 (M = U, Pu)

    International Nuclear Information System (INIS)

    The aim of this work was to understand the mechanisms of dissolution of ThO2 and of thorium mixed oxides such as Th1-xUxO2 and Th1-xPuxO2 in aqueous, oxygenated or inert media. Several solids have been synthesized by precipitation in oxalic medium: Th1-xUxO2 (x= 0.11; 0.24; 0.37; 0.53; 0.67; 0.81 and 0.91) and Th1-xPuxO2 (x= 0.13; 0.32 and 0.66). They have been characterized by XRD, SEM, TEM, XPS, XAS, PIXE and EPMA. The sintering conditions of these materials have been studied and optimized in order to obtain sintered samples with a measured density very near the theoretical densities. A kinetic study of the dissolution of ThO2 and of solid solutions Th1-xUxO2 has been carried out in several aqueous media (HNO3, HCl, H2SO4) in terms of several parameters: protons concentration, temperature, pH, ionic strength, nature of the electrolyte solution and uranium molar ratio for the solid solutions Th1-xUxO2 in order to determine the kinetic laws of dissolution of the solid solutions having different compositions comparatively to ThO2. The leaching tests carried out in natural waters of compositions near those of the deep geologic sites considered for the storage of nuclear wastes have shown that the dissolution of the solids was bound to the complexing effect of the constitutional ions of the water considered. The leaching tests carried out on sintered samples of the same composition have led to the same normalized dissolution velocities. The thermodynamic aspect of the dissolution of the solid solutions Th1-xUxO2 in nitric medium has been studied at last. (O.M.)

  15. Growth and compositional fluctuation of single crystals of Sm2O3-ZrO2 solid solutions

    International Nuclear Information System (INIS)

    Single crystals of the Sm2O3-ZrO2 solid solution system were grown by the arc image floating zone method and the relation between the compositional fluctuation of the grown crystal and its formation mechanism was studied. The single crystals were with Sm2O3 contents of 10, 15, 20, 25, 30, 33.3 and 40 mol%. Crack-free single crystals (3 -- 5 mm sub(diameter) x 50 -- 70 mm) could be grown when their Sm2O3 contents were 10 -- 25 mol%, but those with Sm2O3 content over 30 mol% always developed cracks and tended to shatter on cooling. The surfaces of the crystals which were cut in parallel or normal to the growth direction were polished and examined by EPMA for characterizing the compositional fluctuation. After the etching with hot phosphoric acid, the same surfaces were examined microscopically. A pattern of concave stripes with 0.1 -- 0.15 mm intervals was found on the etched surface parallel to the growth direction and a pattern of circular stripes on the etched surface normal to the growth direction. These patterns correspond well to the compositional fluctuation determined by EPMA. Places difficult to etch were rich in ZrO2. A careful examination showed that the pattern of circular stripes was a part of vortex. In the crystals having Sm2O3 contents over 30 mol%, a pattern of honey-comb was found on the surface normal to the growth direction, suggesting that the cellular growth was occurring. The frequencies of the stripe pattern and the compositional fluctuation correspond to the rotational frequency of the growing crystal in the crystal growth apparatus. Cyclic changes in the solid-liquid interface temperature due to the nonuniform heating are responsible for the compositional fluctuation of the grown crystal. (author)

  16. Production of activated carbon from biodiesel solid residues: An alternative for hazardous metal sorption from aqueous solution.

    Science.gov (United States)

    Ribeiro, Rita F L; Soares, Vitor C; Costa, Letícia M; Nascentes, Clésia C

    2015-10-01

    In this study, the potential for the sorption of Pb(2+) and Cd(2+) from aqueous solutions using HNO3-treated activated carbon (TAC) obtained from radish press cake (Raphanus sativus L.), a solid residue from biodiesel production, was investigated. Activated carbon (AC) was obtained by physical activation with CO2(g). Chemical modification with HNO3 was employed to increase the sorption capability of the AC. The sorption of Pb(2+) and Cd(2+) was studied in monometallic systems in equilibrium with different metal-ion concentrations (10-400 mg L(-1)). The experimental sorption equilibrium data were fit to the Langmuir and Freundlich isotherm models. The maximum sorption capacity (qmax) obtained for AC from the Langmuir isotherm was 45.5 mg g(-1) for Cd(2+) and 250 mg g(-1) for Pb(2+). Moreover, TAC presented qmax of 166.7 mg g(-1) (1.48 mmol g(-1)) for Cd(2+) and 500.0 mg g(-1) (2.41 mmol g(-1)) for Pb(2+)showing the effect of chemical modification. Sorption-desorption studies showed that the interaction between metals and TAC is reversible and this sorbent can be reused for several consecutive cycles. Furthermore, the sorption of Cd(2+) and Pb(2+) by TAC was not affected by the presence of competing ions. The experimental data obtained in this study indicated that this solid residue is viable for the production of sorbents that remove metals, such as cadmium and lead, from wastewaters and thereby contribute to the sustainable development of the production of biodiesel. PMID:26233585

  17. Modifying Optical Properties of ZnO Films by Forming Zn[subscript 1-x] Co[subscript x]O Solid Solutions via Spray Pyrolysis

    Science.gov (United States)

    Bentley, Anne K.; Weaver, Gabriela C.; Russell, Cianan B.; Fornes, William L.; Choi, Kyoung-Shin; Shih, Susan M.

    2007-01-01

    A simple and cost-effective experiment for the development and characterization of semiconductors using Uv-vis spectroscopy is described. The study shows that the optical properties of ZnO films can be easily modified by forming Zn[subscript 1-x] Co[subscript x]O solid solutions via spray pyrolysis.

  18. Clarification of possible ordered distributions of trivalent cations in layered double hydroxides and an explanation for the observed variation in the lower solid-solution limit

    OpenAIRE

    Richardson, IG

    2013-01-01

    The sequence of hexagonal ordered distributions of trivalent cations that are possible in the octahedral layer of layered double hydroxides is clarified, including the link between the composition and the supercell a parameter. A plausible explanation is provided for the observed variation in the lower solid-solution limit.

  19. Modeling the competition between solid solution formation and cation exchange on the retardation of aqueous radium in an idealized bentonite column

    International Nuclear Information System (INIS)

    Clays and clay rocks are considered viable geotechnical barriers in radioactive waste disposal. One reason for this is the propensity for cation exchange reactions in clay minerals to retard the migration of radionuclides. Although another retardation mechanism, namely the incorporation of radionuclides into sulfate or carbonate solid solutions, has been known for a long time, only recently has it been examined systematically. In this work, we investigate the competitive effect of both mechanisms on the transport of radium (Ra) in the near-field of a low- and intermediate level nuclear waste repository. In our idealized geochemical model, numerical simulations show that barium (Ba) and strontium (Sr) needed for Ra sulfate solid solutions also partition to the cation exchange sites of montmorillonite (Mont), which is the major mineral constituent of bentonite that is used for tunnel backfill. At high Mont content, most Ra tends to attach to Mont, while incorporation of Ra in sulfate solid solutions is more important at low Monte content. To explore the effect of the Mont content on the transport of radium, a multi-component reactive transport model was developed and implemented in the scientific software OpenGeoSys-GEM. It was found that a decrease of fixation capacity due to low Mont content is compensated by the formation of solid solutions and that the migration distance of aqueous Ra is similar at different Mont/water ratios. (author)

  20. Long-time Luminescence Kinetics of Localized excitons and conduction Band Edges Smearing in ZnSe(1-c)Tec Solid Solutions

    DEFF Research Database (Denmark)

    Klochikhin, O.; Ogloblin, S. G.; Permogorov, S.; Reznitsky, A.; Klingshirn, C.; Vadim, Lyssenko; Hvam, Jørn Märcher

    2000-01-01

    It is shown that the integrated luminescence intensity of localized excitons in solid solutions ZnSe(1 - c)Tec has a component slowly decaying with time. After the excitation above the mobility threshold, the long-time intensity decreases exponentially, with a fractional exponent changing from a...

  1. Band gap tuning of Na1-xLaxTa1-xCoxO3 solid solutions for visible light photocatalysis

    International Nuclear Information System (INIS)

    Monophase solid solutions Na1-xLaxTa1-xCoxO3 (x=0-0.25) were prepared with conventional solid state reactions method. The band gaps of the solid solutions can be tuned to effectively absorb visible light, with varying x value. The Na0.9La0.1Ta0.9Co0.1O3 photocatalyst exhibited the highest performance of H2 evolution (4.34 μmol/h) under visible light irradiation (λ>420 nm), whereas no H2 evolution is observed for NaTaO3 under the same conditions. The first principles calculation using generalized gradient approximation revealed that the band gap alteration and the photocatalytic activities of Na1-xLaxTa1-xCoxO3 are mainly due to the hybridization of Co 3d and O 2p orbitals

  2. Bioleaching of fly ash from municipal solid waste incineration using kitchen waste saccharified solution as culture medium

    International Nuclear Information System (INIS)

    Summary: Reduced sugar in saccharified solution from kitchen waste was used as the carbon source. Domesticated A. niger AS 3.879C , which can withstand 20% of kitchen waste, was used as the inoculum in the bioleaching process of municipal solid waste incineration fly ash. The effect of reduced sugar concentration, fly ash concentration, and medium volume on the heavy metal extraction and yield of fly ash as well as the optimum bioleaching conditions; the inoculation amount of AS 3 .879C 1% (v/v), reduced sugar concentration of 80 g/l, fly ash concentration of 20 g/l, medium volume of 200 ml, and the addition of fly ash (20 g/l) after culturing for 4 days at 30 degree C and 140 r/min were obtained. Under the optimum condition, the extraction yield of the seven tested heavy metals are in the order of Cd > Zn > Cu > Mn > Pb > Cr > Fe; the extraction yield of Cd and Zn reached 88.7% and 73.1% respectively. Fly ash satisfied the Standard for Pollution Control on the Security Landfill Site for Hazardous Wastes (GB 18598-2001) after heavy metal extraction. (author)

  3. Limitations and Extensions of the Lock-and-Key Principle: Differences between Gas State, Solution and Solid State Structures

    Directory of Open Access Journals (Sweden)

    Hans-Jörg Schneider

    2015-03-01

    Full Text Available The lock-and-key concept is discussed with respect to necessary extensions. Formation of supramolecular complexes depends not only, and often not even primarily on an optimal geometric fit between host and guest. Induced fit and allosteric interactions have long been known as important modifications. Different binding mechanisms, the medium used and pH effects can exert a major influence on the affinity. Stereoelectronic effects due to lone pair orientation can lead to variation of binding constants by orders of magnitude. Hydrophobic interactions due to high-energy water inside cavities modify the mechanical lock-and-key picture. That optimal affinities are observed if the cavity is only partially filled by the ligand can be in conflict with the lock-and-key principle. In crystals other forces than those between host and guest often dominate, leading to differences between solid state and solution structures. This is exemplified in particular with calixarene complexes, which by X-ray analysis more often than other hosts show guest molecules outside their cavity. In view of this the particular problems with the identification of weak interactions in crystals is discussed.

  4. Synthesis, characterization and oxide ionic conductivity of -type solid solution in bismuth oxide doped with ytterbium oxide binary system

    Indian Academy of Sciences (India)

    Esra Öztürk; Nilgun Ozpozan Kalaycioglu; Serkan Dayan; Handan Ozlu

    2013-06-01

    In this study, after doping Yb2O3 substance to -Bi2O3 substance in the range of 1% ≤ ≤ 8% in a series of different mole ratios, heat treatment was performed by applying a cascade temperature rise in the range of 700–790 °C for 48 and 120 h and new phases were obtained in the (Bi2O3)1− (Yb2O3) system. After 48 h of heat treatment at 750 °C and 120 h of heat treatment at 790 °C, mixtures containing 1–8% mole Yb2O3 formed a tetragonal phase. With the help of XRD, crystal systems and lattice parameters of the solid solutions were obtained and their characterization was carried out. Thermal measurements were made by using a simultaneous DTA/TG system. The total conductivity (T) in the -Bi2O3 doped with Yb2O3 system was measured using four-probe d.c. method.

  5. Characterization and magnetic properties of nanoparticles based on FePt solid solution with an oxide shell

    Energy Technology Data Exchange (ETDEWEB)

    Shpetnyi, I.; Kovalenko, A.S. [Sumy State University, Rimsky-Korsakov Street 2, 40007 Sumy (Ukraine); Klimenkov, M. [Institute for Applied Materials, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Protsenko, I.Yu. [Sumy State University, Rimsky-Korsakov Street 2, 40007 Sumy (Ukraine); Chernov, S.V. [Institute of Physics, University of Mainz, Staudingerweg 7, 55128 Mainz (Germany); Nepijko, S.A., E-mail: nepijko@uni-mainz.de [Institute of Physics, University of Mainz, Staudingerweg 7, 55128 Mainz (Germany); Elmers, H.J.; Schönhense, G. [Institute of Physics, University of Mainz, Staudingerweg 7, 55128 Mainz (Germany)

    2015-01-01

    We present the results of magnetic properties investigations of ferromagnetic nanoparticles which ensembled with ferromagnetic shell. The aim of this work is to study the connection of structure–phase composition and thermal treatment with the magnetic properties, partially, with the coercive force and the exchange bias field in a two-dimension spin system of core–shell type. It is found that the exchange bias field increases with the growth of the oxide shell thickness. This is realized by annealing in a dosed oxygen flow. The decrease of the coercive force with the increase of annealing temperature is connected with the concentration effect (the concentration of ferromagnetic particles decreases). - Highlights: • We investigated particles that have core–shell structure, where core material is a solid solution Fe{sub x}Pt{sub 1−x} and shell consists of γ-Fe{sub 2}O{sub 3} with spinel structure. • It is defined that exchange bias field increases with the increase of oxide shell thickness. • Coercive force after annealing decreases due to decrease of ferromagnetic particles concentration. • Analysis of exchange bias field and coercive force measurements for FePt systems of different effective thicknesses of components showed the possibility to control magnetic hardness of the studied system.

  6. Magnetic ordering in the ilmenite-hematite solid solution: A computational study of the low-temperature spin glass region

    Science.gov (United States)

    Harrison, Richard J.

    2009-02-01

    Magnetic ordering in the ilmenite-hematite solid solution (Fe2-xTixO3) has been investigated using Monte Carlo simulations, with particular emphasis on the low-temperature spin glass region of the phase diagram. Complex magnetic behavior is observed due to the presence of two competing magnetic order parameters: a "hematite-like" ordering with a two-layer repeat (Q2) and an "ilmenite-like" ordering with a four-layer repeat (Q4). The susceptibility and degree of magnetic order were calculated from the Fourier transform of the layer-averaged spin distribution, allowing long-range and short-range contributions from Q2 and Q4 to be analyzed separately. For x 0.95, a transition to an antiferromagnetic (AF) phase occurs at 40-55 K, followed by an RSG transition at 20-30 K. Changes to the phase diagram caused by chemical clustering are determined using a preannealing algorithm. Clustering expands the AF field to x > 0.9 and the HFM field to x ≥ 0.55. The topology of the simulated phase diagram compares favorably with experiments but suggests that the nature of some phase boundaries should be reexamined from both experimental and computational perspectives.

  7. A Synthetic Pseudo-Rh: NOx Reduction Activity and Electronic Structure of Pd-Ru Solid-solution Alloy Nanoparticles.

    Science.gov (United States)

    Sato, Katsutoshi; Tomonaga, Hiroyuki; Yamamoto, Tomokazu; Matsumura, Syo; Zulkifli, Nor Diana Binti; Ishimoto, Takayoshi; Koyama, Michihisa; Kusada, Kohei; Kobayashi, Hirokazu; Kitagawa, Hiroshi; Nagaoka, Katsutoshi

    2016-01-01

    Rh is one of the most important noble metals for industrial applications. A major fraction of Rh is used as a catalyst for emission control in automotive catalytic converters because of its unparalleled activity toward NOx reduction. However, Rh is a rare and extremely expensive element; thus, the development of Rh alternative composed of abundant elements is desirable. Pd and Ru are located at the right and left of Rh in the periodic table, respectively, nevertheless this combination of elements is immiscible in the bulk state. Here, we report a Pd-Ru solid-solution-alloy nanoparticle (PdxRu1-x NP) catalyst exhibiting better NOx reduction activity than Rh. Theoretical calculations show that the electronic structure of Pd0.5Ru0.5 is similar to that of Rh, indicating that Pd0.5Ru0.5 can be regarded as a pseudo-Rh. Pd0.5Ru0.5 exhibits better activity than natural Rh, which implies promising applications not only for exhaust-gas cleaning but also for various chemical reactions. PMID:27340099

  8. Probing organometallic reactions by time-resolved infrared spectroscopy in solution and in the solid state using quantum cascade lasers.

    Science.gov (United States)

    Calladine, James A; Horvath, Raphael; Davies, Andrew J; Wriglesworth, Alisdair; Sun, Xue-Zhong; George, Michael W

    2015-05-01

    The photochemistry and photophysics of metal carbonyl compounds (W(CO)6, Cp*Rh(CO)2 (Cp* = η(5)-C5Me5), and fac-[Re(CO)3(4,4'-bpy)2Br] [bpy = bipyridine]) have been examined on the nanosecond timescale using a time-resolved infrared spectrometer with an external cavity quantum cascade laser (QCL) as the infrared source. We show the photochemistry of W(CO)6 in alkane solution is easily monitored, and very sensitive measurements are possible with this approach, meaning it can monitor small transients with absorbance changes less than 10(-6) ΔOD. The C-H activation of Cp*Rh(CO)(C6H12) to form Cp*Rh(CO)(C6H11)H occurs within the first few tens of nanoseconds following photolysis, and we demonstrate that kinetics obtained following deconvolution are in excellent agreement with those measured using an ultrafast laser-based spectrometer. We also show that the high flux and tunability of QCLs makes them suited for solid-state and time-resolved measurements. PMID:25811673

  9. A Synthetic Pseudo-Rh: NOx Reduction Activity and Electronic Structure of Pd–Ru Solid-solution Alloy Nanoparticles

    Science.gov (United States)

    Sato, Katsutoshi; Tomonaga, Hiroyuki; Yamamoto, Tomokazu; Matsumura, Syo; Zulkifli, Nor Diana Binti; Ishimoto, Takayoshi; Koyama, Michihisa; Kusada, Kohei; Kobayashi, Hirokazu; Kitagawa, Hiroshi; Nagaoka, Katsutoshi

    2016-06-01

    Rh is one of the most important noble metals for industrial applications. A major fraction of Rh is used as a catalyst for emission control in automotive catalytic converters because of its unparalleled activity toward NOx reduction. However, Rh is a rare and extremely expensive element; thus, the development of Rh alternative composed of abundant elements is desirable. Pd and Ru are located at the right and left of Rh in the periodic table, respectively, nevertheless this combination of elements is immiscible in the bulk state. Here, we report a Pd–Ru solid-solution-alloy nanoparticle (PdxRu1-x NP) catalyst exhibiting better NOx reduction activity than Rh. Theoretical calculations show that the electronic structure of Pd0.5Ru0.5 is similar to that of Rh, indicating that Pd0.5Ru0.5 can be regarded as a pseudo-Rh. Pd0.5Ru0.5 exhibits better activity than natural Rh, which implies promising applications not only for exhaust-gas cleaning but also for various chemical reactions.

  10. Electron transport modeling and energy filtering for efficient thermoelectric Mg2Si1-xSnx solid solutions

    Science.gov (United States)

    Bahk, Je-Hyeong; Bian, Zhixi; Shakouri, Ali

    2014-02-01

    We present a comprehensive electron transport model to analyze thermoelectric properties of both n- and p-type bulk Mg2Si1-xSnx (0≤x≤1) solid solutions. A temperature-dependent multiparabolic bands model is used to describe the band structures of the alloys, and the transport properties are calculated using the linearized Boltzmann transport equations under the relaxation time approximation. A variety of experimental data from literature are fitted very well by this model and analyzed for further material optimization. Our analysis shows that the compositions of x = 0.6 to 0.7 exhibit the highest thermoelectric figure of merit zT among n-type Mg2Si1-xSnx in the midtemperature range 600 to 900 K due to both the high power factors achieved by the convergence of the two conduction bands and low electronic thermal conductivities. For the p-type materials, we find that the bipolar electronic thermal conductivity is a major factor limiting the figure of merit. Low Sn content (x transport.

  11. Low-frequency internal friction investigating of the carbide precipitation in solid solution during tempering in high alloyed martensitic steel

    International Nuclear Information System (INIS)

    Research highlights: In this paper, the mechanical properties and the internal friction (IF) of high alloyed martensitic carbon steel were investigated. The relationships between the internal friction and mechanical properties of the steel were researched using dilatometer, X-ray diffraction, Rockwell hardness and impact toughness. The behavior of dislocations and their interactions with point defects were analyzed through the changes of the internal friction spectrum. At some extent, internal friction techniques can be used as a quality control tool in steel industry for heat treatment. - Abstract: In this paper, the mechanical properties and the internal friction (IF) of high alloyed martensitic carbon steel were investigated. The relationships between the internal friction and mechanical properties of the steel containing 0.98 wt.% carbon were researched using dilatometer, X-ray diffraction, Rockwell hardness and impact toughness. The samples were quenched and tempered in order to vary the concentration of carbon in solid solution in the martensite. The internal friction was measured in an inversed torsion pendulum with high vacuum using free decay method. The behavior of dislocations and their interactions with point defects were analyzed through the changes of the internal friction spectrum.

  12. Cerium valence change in the solid solutions Ce(Rh{sub 1-x}Ru{sub x})Sn

    Energy Technology Data Exchange (ETDEWEB)

    Niehaus, Oliver; Riecken, Jan F.; Winter, Florian; Poettgen, Rainer [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie; Muenster Univ. (Germany). NRW Graduate School of Chemistry; Abdala, Paula M. [European Synchrotron Radiation Facility (ESRF), Grenoble (France). SNBL; Chevalier, Bernard [Bordeaux Univ., Pessac (France). CNRS, ICMCB

    2013-09-15

    The solid solutions Ce(Rh{sub 1-x}Ru{sub x})Sn were investigated by means of susceptibility measurements, specific heat, electrical resistivity, X-ray absorption spectroscopy (XAS), and {sup 119}Sn Moessbauer spectroscopy. Magnetic measurements as well as XAS data show a cerium valence change in dependence on the ruthenium content. Higher ruthenium content causes an increase from 3.22 to 3.45 at 300 K. Furthermore {chi} and {chi}{sup -1} data indicate valence fluctuation for cerium as a function of temperature. For example, Ce(Rh{sub 0.8}Ru{sub 0.2})Sn exhibits valence fluctuations between 3.42 and 3.32 in the temperature range of 10 to 300 K. This could be proven by using the interconfiguration fluctuation (ICF) model introduced by Sales and Wohlleben. Cerium valence change does not influence the tin atoms as proven by {sup 119}Sn Moessbauer spectroscopy, but it influences the electrical properties. Ce(Rh{sub 0.9}Ru{sub 0.1})Sn behaves like a typical valence fluctuating compound, and higher ruthenium content causes an increase of the metallic behavior. (orig.)

  13. Physical properties of Cdsub(1-x)Znsub(x)S thin films prepared by thermal evaporation of the solid solution

    International Nuclear Information System (INIS)

    In order to realize Cu2S-CdZnS solar cells, Cdsub(1-x)Znsub(x)S polycrystalline layers are prepared by means of conventional thermal evaporation of suitable CdZnS solid solutions (0 <= x <= 0.2) on different substrates. The influence of the ZnS concentration on the layer physical properties is determined by X-ray patterns, by SEM and TEM observations, by electrical and photoelectrical measurements versus temperature (thermally stimulated conductivity, spectral photosensitivity of the photoconduction, ...), by capacitance measurements of CdZnS/Au diodes, by optical spectrometry of the band gap, and the free carrier absorption. When the ZnS concentration x increases, the crystallization is modified, the energy gap and the activation energy of the donor levels increases, the dark longitudinal conductivity and the photosensitivity decreases. The photoconduction time constant increases. Paradoxally, the free electron density, determined by three independent methods, increases with ZnS concentration up to a saturation value for x approximately 0.15. (author)

  14. Application of the solid solution model for the description of the mineral composition of lake Baikal bottom settings

    International Nuclear Information System (INIS)

    The study of clay minerals, accumulated in the Baikal bottom settings, provides valuable information about climate changes in Asia during the Cenozoic Era. However, the depth of a sedimentary section does not allow conducting mineralogical studies at a pitch providing a reconstruction of the paleoclimate record with high resolution. Earlier, the mineral composition of the Baikal sediments has been calculated on the basis of the results of a chemical analysis [1]. At a preliminary stage the simplex-method, used in this approach, requires the determination of a chemical composition of the clay sedimentary components and the calculation of conditional stoichiometric formulas of mixed-layer aluminosilicates, being the markers of the most important paleoclimate episodes. In this article the improved method for calculating the mineral composition of sediments is used to determine the mixed-layer minerals of a solid solution model, is represented. It allowed eliminating the preliminary stage of clay matter chemical composition calculation and computerizing the determination of minerals stoichiometric formulas, corresponding to warm and cold climate episodes in the reconstruction of paleoclimate changes

  15. A Synthetic Pseudo-Rh: NOx Reduction Activity and Electronic Structure of Pd–Ru Solid-solution Alloy Nanoparticles

    Science.gov (United States)

    Sato, Katsutoshi; Tomonaga, Hiroyuki; Yamamoto, Tomokazu; Matsumura, Syo; Zulkifli, Nor Diana Binti; Ishimoto, Takayoshi; Koyama, Michihisa; Kusada, Kohei; Kobayashi, Hirokazu; Kitagawa, Hiroshi; Nagaoka, Katsutoshi

    2016-01-01

    Rh is one of the most important noble metals for industrial applications. A major fraction of Rh is used as a catalyst for emission control in automotive catalytic converters because of its unparalleled activity toward NOx reduction. However, Rh is a rare and extremely expensive element; thus, the development of Rh alternative composed of abundant elements is desirable. Pd and Ru are located at the right and left of Rh in the periodic table, respectively, nevertheless this combination of elements is immiscible in the bulk state. Here, we report a Pd–Ru solid-solution-alloy nanoparticle (PdxRu1-x NP) catalyst exhibiting better NOx reduction activity than Rh. Theoretical calculations show that the electronic structure of Pd0.5Ru0.5 is similar to that of Rh, indicating that Pd0.5Ru0.5 can be regarded as a pseudo-Rh. Pd0.5Ru0.5 exhibits better activity than natural Rh, which implies promising applications not only for exhaust-gas cleaning but also for various chemical reactions. PMID:27340099

  16. Calibration of laser ablation inductively coupled plasma mass spectrometry using dried solution aerosols for the quantitative analysis of solid samples

    Energy Technology Data Exchange (ETDEWEB)

    Leach, J.

    1999-02-12

    Inductively coupled plasma mass spectrometry (ICP-MS) has become the method of choice for elemental and isotopic analysis. Several factors contribute to its success. Modern instruments are capable of routine analysis at part per trillion levels with relative detection limits in part per quadrillion levels. Sensitivities in these instruments can be as high as 200 million counts per second per part per million with linear dynamic ranges up to eight orders of magnitude. With standards for only a few elements, rapid semiquantitative analysis of over 70 elements in an individual sample can be performed. Less than 20 years after its inception ICP-MS has shown to be applicable to several areas of science. These include geochemistry, the nuclear industry, environmental chemistry, clinical chemistry, the semiconductor industry, and forensic chemistry. In this introduction, the general attributes of ICP-MS will be discussed in terms of instrumentation and sample introduction. The advantages and disadvantages of current systems are presented. A detailed description of one method of sample introduction, laser ablation, is given. The paper also gives conclusions and suggestions for future work. Chapter 2, Quantitative analysis of solids by laser ablation inductively coupled plasma mass spectrometry using dried solution aerosols for calibration, has been removed for separate processing.

  17. 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

  18. Mechanosynthesis and structural characterization of nanocrystalline Ce1–xYxO2–δ (x=0.1–0.35) solid solutions

    International Nuclear Information System (INIS)

    A series of nanostructured fluorite-type Ce1–xYxO2–δ (0≤x≤0.35) solid solutions, prepared via high-energy milling of the CeO2/Y2O3 mixtures, are investigated by XRD, HR-TEM, EDS and Raman spectroscopy. For the first time, complementary information on both the long-range and short-range structural features of mechanosynthesized Ce1–xYxO2–δ, obtained by Rietveld analysis of XRD data and Raman spectroscopy, is provided. The lattice parameters of the as-prepared solid solutions decrease with increasing yttrium content. Rietveld refinements of the XRD data reveal increase in microstrains in the host ceria lattice as a consequence of yttrium incorporation. Raman spectra are directly affected by the presence of oxygen vacancies; their existence is evidenced by the presence of vibration modes at ~560 and ~600 cm–1. The detailed spectroscopic investigations enable us to separate extrinsic and intrinsic origin of oxygen vacancies. It is demonstrated that mechanosynthesis can be successfully employed in the one-step preparation of nanocrystalline Ce1–xYxO2–δ solid solutions. - Graphical abstract: Mechanosynthesis of nanocrystalline Ce1–xYxO2–δ (x=0.1–0.35) solid solutions. - Highlights: • One-step mechanosynthesis of nanoscale Ce1–xYxO2–δ (0≤x≤0.35) solid solutions. • Complementary information on the long-range and short-range structural features of mechanosynthesized Ce1–xYxO2–δ is provided. • Structural variations as a response to the yttrium doping. • Separation of extrinsic and intrinsic origin of the induced oxygen vacancies

  19. Rock solid energy solution

    International Nuclear Information System (INIS)

    Scientists believe naturally radioactive rocks below the earth's surface could provide an inexhaustible and environmentally friendly power source. And Australia could be a geological hotbed should the concept get off the ground. Despite the scale, the concept itself is simple. The Earth's reserves of heat in naturally radioactive rocks could provide an effectively inexhaustible and environmentally friendly source of power. No greenhouse gas emissions, little water usage and minimal pollution. Natural hot springs are already used to make power in some parts of the world, such as Iceland, but creating artificial hot springs by drilling deep into granite -the hardest of rocks - is a much more ambitious concept. One cubic kilometre of hot granite at 250 deg C has the stored energy equivalent of 40 million barrels of oil. In a nutshell, water is pumped into the hot zone - some 3km to 5km down in Australian conditions - and spreads through a 'reservoir' of hot, cracked rocks. Once superheated, it returns to the surface as steam through a separate production well to spin turbines and generate electricity. The water can then be recaptured and reused, with test sites around the world recovering up to around 90 per cent

  20. The interfacial free energy of solid Sn on the boundary interface with liquid Cd-Sn eutectic solution

    International Nuclear Information System (INIS)

    Equilibrated grain boundary groove shapes for solid Sn in equilibrium with Cd-Sn liquid were directly observed after annealing a sample at the eutectic temperature for about 8 days. The thermal conductivities of the solid phase, KS, and the liquid phase, KL, for the groove shapes were measured. From the observed groove shapes, the Gibbs-Thomson coefficients were obtained with a numerical method, using the measured G, KS and KL values. The solid-liquid interfacial energy of solid Sn in equilibrium with Cd-Sn liquid was determined from the Gibbs-Thomson equation. The grain boundary energy for solid Sn was also calculated from the observed groove shapes