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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. 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

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. Fluoride-conversion synthesis of homogeneous actinide oxide solid solutions

    Energy Technology Data Exchange (ETDEWEB)

    Silva, G W Chinthaka M [ORNL; Hunn, John D [ORNL; Yeamans, Charles B. [University of California, Berkeley; Cerefice, Gary S. [University of Nevada, Las Vegas; Czerwinski, Ken R. [University of Nevada, Las Vegas

    2011-01-01

    Here, a novel route to synthesize (U, Th)O2 solid solutions at a relatively low temperature of 1100 C is demonstrated. First, the separate actinide oxides reacted with ammonium bifluoride to form ammonium actinide fluorides at room temperature. Subsequently, this mixture was converted to the actinide oxide solid solution using a two-phased heat treatment, first at 610 C in static air, then at 1100 C in flowing argon. Solid solutions obeying Vegard s Law were synthesized for ThO2 content from 10 to 90 wt%. Microscopy showed that the (U, Th)O2 solid solutions synthesized with this method to have considerably high crystallinity and homogeneity, suggesting the suitability of material thus synthesized for sintering into nuclear fuel pellets at low temperatures.

  8. 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)

  9. 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.

  10. 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

  11. 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.

  12. Synthesis and characterization of mesostructured ceria-zirconia solid solution

    Institute of Scientific and Technical Information of China (English)

    LI Changlin; GU Xin; WANG Yanqin; WANG Yaojun; WANG Yangang; LIU Xiaohui; LU Guanzhong

    2009-01-01

    Mesostructured Ce0.6Zr0.4O2 solid solutions were synthesized by coprecipitation combined with evaporation-induced self-assembly process. The obtained materials were characterized by X-ray diffractometer (XRD), Raman, transmission electron microscopy (TEM), N2 sorption, and hydrogen temperature programmed reduction (H2-TPR). The results showed that the solid solutions consisted of uniform nanocrystals, which piled homogeneous mesopores of about 4 nm. Furthermore, different surfactants had little influence on the mesoporous structures. All these samples exhibited high thermal stability.

  13. 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

  14. 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 (buffer species. Apparent first-order degradation was also seen when MYR was introduced to an oxidizing solution. Improved stability was achieved after introducing 0.1% 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.

  15. Solid-like mechanical behaviors of ovalbumin aqueous solutions.

    Science.gov (United States)

    Ikeda, S; Nishinari, K

    2001-04-12

    Flow and dynamic mechanical properties of ovalbumin (OVA) aqueous solutions were investigated. OVA solutions exhibited relatively large zero-shear viscosity values under steady shear flow and solid-like mechanical responses against oscillating small shear strains, that is, the storage modulus was always larger than the loss modulus in the examined frequency range (0.1--100 rad s(-1)). These results suggest that dispersed OVA molecules arranged into a colloidal crystal like array stabilized by large interparticle repulsive forces. However, marked solid-like mechanical behaviors were detected even when electrostatic repulsive forces among protein molecules were virtually absent, which could not be explained solely on the basis of conventional Derjaguin--Landau--Verwey--Overbeek (DLVO) theory. Large non-DLVO repulsive forces seem to stabilize native OVA aqueous solutions.

  16. 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

  17. 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)

  18. Magnetic clusters in ilmenite-hematite solid solutions

    DEFF Research Database (Denmark)

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

    2010-01-01

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

  19. Development and characterization of solid solution tri-carbides

    Science.gov (United States)

    Knight, Travis; Anghaie, Samim

    2001-02-01

    Solid-solution, binary uranium/refractory metal carbide fuels have been shown to be capable of performing at high temperatures for nuclear thermal propulsion applications. More recently, tri-carbide fuels such as (U, Zr, Nb)C1+x with less than 10% metal mole fraction uranium have been studied for their application in ultra-high temperature, high performance space nuclear power systems. These tri-carbide fuels require high processing temperatures greater than 2600 K owing to their high melting points in excess of 3600 K. This paper presents the results of recent studies involving hypostoichiometric, single-phase tri-carbide fuels. Processing techniques of cold uniaxial pressing and sintering were investigated to optimize the processing parameters necessary to produce high density (low porosity), single phase, solid solution mixed carbide nuclear fuels for testing. Scanning electron microscopy and xray diffraction were used to analyze samples. Liquid phase sintering with UC1+x at temperatures near 2700 K was shown to be instrumental in achieving good densification in hyper- and near-stoichiometric mixed carbides. Hypostoichiometric carbides require even higher processing temperatures greater than 2800 K in order to achieve liquid phase sintering with a UC liquid phase and good densification of the final solid solution, tri-carbide fuel. .

  20. 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.

  1. Optical properties of solid solutions based on tantalum-aluminium oxide

    Energy Technology Data Exchange (ETDEWEB)

    Panosyan, Zh.P.; Avetisyan, A.M.

    1983-12-01

    Dependences of film optical constants on the solid solution composition have been studied. Dependence of forbidden zone width of Tasub(x)Alsub(1-x)O solid solution in a wide range of x change has been determined for the first time. Technique for the determination of the solid solution composition according to percentage of components in a target is suggested.

  2. 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.

  3. Atomistic interpretation of solid solution hardening from spectral analysis.

    Science.gov (United States)

    Plendl, J N

    1971-05-01

    From analysis of a series of vibrational spectra of ir energy absorption and laser Raman, an attempt is made to interpret solid solution hardening from an atomistic point of view for the system CaF(2)/SrF(2). It is shown to be caused by the combined action of three atomic characteristics, i.e., their changes as a function of composition. They are deformation of the atomic coordination polyhedrons, overlap of the outer electron shells of the atom pairs, and the ratio of the ionic to covalent share of binding. A striking nonlinear behavior of the three characteristics, as a function of composition, gives maximum atomic bond strength to the 55/45 position of the system CaF(2)/SrF(2), in agreement with the measured data of the solid solution hardening. The curve for atomic bond strength, derived from the three characteristics, is almost identical to the curve for measured microhardness data. This result suggests that the atomistic interpretation, put forward in this paper, is correct.

  4. 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.

  5. 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.).

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

    Science.gov (United States)

    Glynn, P.D.; Reardon, E.J.; Plummer, L.N.; Busenberg, E.

    1990-01-01

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

  7. 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

  8. Solid state and solution nitrate photochemistry: photochemical evolution of the solid state lattice.

    Science.gov (United States)

    Asher, Sanford A; Tuschel, David D; Vargson, Todd A; Wang, Luling; Geib, Steven J

    2011-05-01

    We examined the deep UV 229 nm photochemistry of NaNO(3) in solution and in the solid state. In aqueous solution excitation within the deep UV NO(3)¯ strong π → π* transition causes the photochemical reaction NO(3)¯ → NO(2)¯ + O·. We used UV resonance Raman spectroscopy to examine the photon dose dependence of the NO(2)¯ band intensities and measure a photochemical quantum yield of 0.04 at pH 6.5. We also examined the response of solid NaNO(3) samples to 229 nm excitation and also observe formation of NO(2)¯. The quantum yield is much smaller at ∼10(-8). The solid state NaNO(3) photochemistry phenomena appear complex by showing a significant dependence on the UV excitation flux and dose. At low flux/dose conditions NO(2)¯ resonance Raman bands appear, accompanied by perturbed NO(3)¯ bands, indicating stress in the NaNO(3) lattice. Higher flux/dose conditions show less lattice perturbation but SEM shows surface eruptions that alleviate the stress induced by the photochemistry. Higher flux/dose measurements cause cratering and destruction of the NaNO(3) surface as the surface layers are converted to NO(2)¯. Modest laser excitation UV beams excavate surface layers in the solid NaNO(3) samples. At the lowest incident fluxes a pressure buildup competes with effusion to reach a steady state giving rise to perturbed NO(3)¯ bands. Increased fluxes result in pressures that cause the sample to erupt, relieving the pressure.

  9. 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...... in the wells of random potential induced by disorder. Classification of optically active tail states of the main exciton band into two groups is proposed. The majority of the states responsible for the optical absorption corresponds to the group of extended states belonging to the percolation cluster, whereas...... 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...

  10. Nucleation of the diamond phase in aluminium-solid solutions

    Science.gov (United States)

    Hornbogen, E.; Mukhopadhyay, A. K.; Starke, E. A., Jr.

    1993-01-01

    Precipitation was studied from fcc solid solutions with silicon, germanium, copper and magnesium. Of all these elements only silicon and germanium form diamond cubic (DC) precipitates in fcc Al. Nucleation of the DC structure is enhanced if both types of atom are dissolved in the fcc lattice. This is interpreted as due to atomic size effects in the prenucleation stage. There are two modes of interference of fourth elements with nucleation of the DC phase in Al + Si, Ge. The formation of the DC phase is hardly affected if the atoms (for example, copper) are rejected from the (Si, Ge)-rich clusters. If additional types of atom are attracted by silicon and/or germanium, DC nuclei are replaced by intermetallic compounds (for example Mg2Si).

  11. 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.

  12. 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.

  13. 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.

  14. 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.)

  15. 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

  16. 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

  17. 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

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

    Science.gov (United States)

    Ngoc, Uyen Nguyen; Schnitzer, Hans

    2009-06-01

    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. PMID:19285384

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

    Science.gov (United States)

    Ngoc, Uyen Nguyen; Schnitzer, Hans

    2009-06-01

    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.

  20. 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)

  1. 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.

  2. 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

  3. A Local Composition Model for Paraffinic Solid Solutions

    DEFF Research Database (Denmark)

    Coutinho, A.P. João; Knudsen, Kim; Andersen, Simon Ivar;

    1996-01-01

    The description of the solid-phase non-ideality remains the main obstacle in modelling the solid-liquid equilibrium of hydrocarbons. A theoretical model, based on the local composition concept, is developed for the orthorhombic phase of n-alkanes and tested against experimental data for binary sy...... systems. It is shown that it can adequately predict the experimental phase behaviour of paraffinic mixtures. This work extends the applicability of local composition models to the solid phase. Copyright (C) 1996 Elsevier Science Ltd.......The description of the solid-phase non-ideality remains the main obstacle in modelling the solid-liquid equilibrium of hydrocarbons. A theoretical model, based on the local composition concept, is developed for the orthorhombic phase of n-alkanes and tested against experimental data for binary...

  4. 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

  5. Comparisons of species and coagulation effects of PFS solution and solid PFS from pyrite cinders

    Institute of Scientific and Technical Information of China (English)

    郑雅杰; 龚竹青; 刘立华; 陈白珍

    2002-01-01

    Pyrite cinder is a kind of solid waste of sulfuric acid industry. After mixing pyrite cinders with sulfuric acid, ferric sulfate was obtained by heating, maturing, dissolving and filtrating. Suitable amounts of FeSO4 * 7H2O and NaClO3 were added into ferric sulfate solution and polyferric sulfate(PFS) solution was produced. Solid PFS was made by concentrating and drying PFS solution. Time-dependent complex colorimetric tests were done while ferron agent reacted with Fe3+ in the solution. The results show that the proportion of transitional low polymeric species and high polymeric species are increased after PFS solution is transferred into solid PFS. It was discovered by jar tests that solid PFS has very good coagulation effects relevant to the increase of transitional lower polymeric species.

  6. 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.

  7. 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.

  8. (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

  9. 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

  10. Luminescence properties of solid solutions of borates doped with rare-earth ions

    Science.gov (United States)

    Levushkina, V. S.; Mikhailin, V. V.; Spassky, D. A.; Zadneprovski, B. I.; Tret'yakova, M. S.

    2014-11-01

    The structural and luminescence properties of LuxY1 - xBO3 solid solutions doped with Ce3+ or Eu+3 have been investigated. It has been found that the solid solutions crystallize in the vaterite phase with a lutetium concentration x spectra are characterized by intensive impurity emission under excitation with the synchrotron radiation in the X-ray and ultraviolet spectral ranges. It has been shown that, as the lutetium concentration x in the LuxY1 - xBO3: Ce3+ solid solutions increases, the emission intensity smoothly decreases, which is associated with a gradual shift of the Ce3+ 5 d(1) level toward the bottom of the conduction band, as well as with a decrease in the band gap. It has been established that, in the LuxY1 - xBO3: Eu3+ solid solutions with intermediate concentrations x, the efficiency of energy transfer to luminescence centers increases. This effect is explained by the limited spatial separation of electrons and holes in the solid solutions. It has been demonstrated that the calcite phase adversely affects the luminescence properties of the solid solutions.

  11. Analysis of Valence Electron Structure of RE in Solid Solution in Medium and Low Carbon Steel

    Institute of Scientific and Technical Information of China (English)

    朱莹光; 刘艳; 刘志林; 刘伟东

    2004-01-01

    According to EET theory,the valence electron structures of RE in the solid solution of austenite,pearlite and martensite were calculated.The influence of RE in solid solution on phase transformation of pearlite and recrystallization of martensite was explained by the valence electron structure data of phases.Calculating results indicate that C element is favorite to enhance the number of RE in the solid solution.RE in the solute solution shortens the incubation period of proeutectoid ferrite,increases its quantity and carbon content,decreases the quantity of pearlite and thickness of its lamellas and lamellar spacing,then the strength and hardness of pearlite are improved and granular pearlite can be obtained.RE dissolved in martensite intensifies martensite,enhances tempering stability of martensite,increases its recrystallization temperature and prolongs the holding time needed during tempering.

  12. 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.

  13. 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

  14. 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.

  15. 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

  16. 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.

  17. 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.

  18. 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.

  19. 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

  20. 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

  1. 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)

  2. Cutting solid figures by plane - analytical solution and spreadsheet implementation

    Science.gov (United States)

    Benacka, Jan

    2012-07-01

    In some secondary mathematics curricula, there is a topic called Stereometry that deals with investigating the position and finding the intersection, angle, and distance of lines and planes defined within a prism or pyramid. Coordinate system is not used. The metric tasks are solved using Pythagoras' theorem, trigonometric functions, and sine and cosine rules. The basic problem is to find the section of the figure by a plane that is defined by three points related to the figure. In this article, a formula is derived that gives the positions of the intersection points of such a plane and the figure edges, that is, the vertices of the section polygon. Spreadsheet implementations of the formula for cuboid and right rectangular pyramids are presented. The user can check his/her graphical solution, or proceed if he/she is not able to complete the section.

  3. 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.

  4. 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.

  5. Ferroelectromagnetic solid solutions on the base piezoelectric ceramic materials for components of micromechatronics

    Science.gov (United States)

    Bochenek, Dariusz; Zachariasz, Radosław; Niemiec, Przemysław; Ilczuk, Jan; Bartkowska, Joanna; Brzezińska, Dagmara

    2016-10-01

    In the presented work, a ferroelectromagnetic solid solutions based on PZT and ferrite powders have been obtained. The main aim of combination of ferroelectric and magnetic powders was to obtain material showing both electric and magnetic properties. Ferroelectric ceramic powder (in amount of 90%) was based on the doped PZT type solid solution while magnetic component was nickel-zinc ferrite Ni1-xZnxFe2O4 (in amount of 10%). The synthesis of components of ferroelectromagnetic solid solutions was performed using the solid phase sintering. Final densification of synthesized powder has been done using free sintering. The aim of the work was to obtain and examine in the first multicomponent PZT type ceramics admixed with chromium with the following chemical composition Pb0.94Sr0.06(Zr0.46Ti0.54)O3+0.25 at% Cr2O3 and next ferroelectromagnetic solid solution based on a PZT type ferroelectric powder (Pb0.94Sr0.06(Zr0.46Ti0.54)O3+0.25 at% Cr2O3) and nickel-zinc ferrite (Ni0.64Zn0.36Fe2O4), from the point of view of their mechanical and electric properties, such as: electric permittivity, ε; dielectric loss, tanδ; mechanical losses, Q-1; and Young modulus, E.

  6. Distribution of solute at solid-liquid interface during solidification of melt

    Science.gov (United States)

    Fukui, Keisuke; Maeda, Kouji

    1998-11-01

    A model for predicting a distribution coefficient (ki) of solute at the solid-liquid (S-L) interface, when the solid layer is growing, is proposed. The interfacial distribution coefficient is expressed as a function of two gradients of the liquid concentration and equilibrium concentration at the S-L interface. The model is applied to the solidification of a simple eutectic binary liquid of lauric acid and myristic acid in an enclosed rectangular box in which a vertical wall is cooled. The impurity-concentration profile in solid is predicted from the direct numerical computations.

  7. 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.

  8. 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.

  9. 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

  10. 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

  11. 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

  12. 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)

  13. Solid solution barium–strontium chlorides with tunable ammonia desorption properties and superior storage capacity

    DEFF Research Database (Denmark)

    Bialy, Agata; Jensen, Peter Bjerre; Blanchard, Didier;

    2015-01-01

    with spray drying and in situ thermogravimetric and structural characterization, we synthesize a range of new, stable barium-strontium chloride solid solutions with superior ammonia storage densities. By tuning the barium/strontium ratio, different crystallographic phases and compositions can be obtained...

  14. 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.

  15. 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

  16. Defect structure of cubic solid solutions of alkaline earth and rare earth fluorides

    NARCIS (Netherlands)

    DenHartog, HW

    1996-01-01

    In this paper we will consider the disorder in some cubic solid solutions consisting of one of the alkaline earth fluorides and one of the rare earth fluorides. This is an attractive group of model materials, because these materials have a rather simple overall cubic structure. We will discuss the m

  17. 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.)

  18. 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.

  19. 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.

  20. 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.……

  1. 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…

  2. 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…

  3. 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

  4. Vapor-Liquid-Solid Equilibria of Sulfur Dioxide in Aqueous Electrolyte Solutions

    DEFF Research Database (Denmark)

    Pereda, Selva; Thomsen, Kaj; Rasmussen, Peter

    2000-01-01

    The Extended UNIQUAC model for electrolyte systems, combined with the Soave-Redlich-Kwong equation of state is used to describe the complex vapor-liquid-solid equilibria of sulfur dioxide in electrolyte solutions. Model parameters based on 1500 experimental data points are presented. The parameters...

  5. The synthesis and chemical durability of Nd-doped single-phase zirconolite solid solutions

    Science.gov (United States)

    Cai, Xin; Teng, Yuancheng; Wu, Lang; Zhang, Kuibao; Huang, Yi

    2016-10-01

    Nd-doped single-phase zirconolite solid solutions was synthesized by solid-state reaction and following two steps of acid treatment. The phase composition, microstructure, and chemical durability of the zirconolite solid solutions were investigated. About 15 at% Nd was successfully stabilized into the zirconolite. The element mapping images of Ca, Zr, Nd and Ti show that all the elements are almost distributed homogeneously in the zirconolite waste forms. Product Consistency Test (PCT) was conducted under different pH values (pH = 5, 7 and 9) to evaluate the chemical durability of the Nd-doped zirconolite waste forms. The normalized element release rate of Ca (LRCa) in pH = 5 medium is higher than that of pH = 7 and 9, while the LRNd value remains almost unchanged under different pH values. The LRNd value is as low as 10-5 g m-2 d-1 after 42 days.

  6. 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.

  7. 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)

  8. 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...

  9. 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.

  10. Energetics of cation mixing in urania-ceria solid solutions with stoichiometric oxygen concentrations.

    Science.gov (United States)

    Hanken, Benjamin E; Shvareva, Tatiana Y; Grønbech-Jensen, Niels; Stanek, Christopher R; Asta, Mark; Navrotsky, Alexandra

    2012-04-28

    Cation mixing energetics in urania-ceria solid solutions with stoichiometric oxygen concentrations (U(1-y)Ce(y)O(2)) have been measured by high-temperature oxide-melt drop-solution calorimetry. Measurements have been performed on eight samples with compositions spanning y = 0.119 to y = 0.815. The measured mixing enthalpies (ΔH(mix)) range from -0.6 ± 3.3 to 3.9 ± 3.0 kJ mol(-1). These values are discussed in the context of results from atomistic modeling which take into consideration the possibility of charge transfer between uranium and cerium cations to form solid solutions with mixed charge states. A comparison between measured and calculated results for ΔH(mix) suggests that such charge transfer takes place to a limited extent in the most concentrated mixtures studied. PMID:22434034

  11. 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.)

  12. 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.

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

    Science.gov (United States)

    Zhang, Yanwen; Stocks, G. Malcolm; Jin, Ke; Lu, Chenyang; Bei, Hongbin; Sales, Brian C.; Wang, Lumin; Béland, Laurent K.; Stoller, Roger E.; Samolyuk, German D.; Caro, Magdalena; Caro, Alfredo; Weber, William J.

    2015-10-01

    A grand challenge in materials research is to understand complex electronic correlation and non-equilibrium atomic interactions, and how such intrinsic properties and dynamic processes affect energy transfer and defect evolution in irradiated materials. Here we report that chemical disorder, with an increasing number of principal elements and/or altered concentrations of specific elements, in single-phase concentrated solid solution alloys can lead to substantial reduction in electron mean free path and orders of magnitude decrease in electrical and thermal conductivity. The subsequently slow energy dissipation affects defect dynamics at the early stages, and consequentially may result in less deleterious defects. Suppressed damage accumulation with increasing chemical disorder from pure nickel to binary and to more complex quaternary solid solutions is observed. Understanding and controlling energy dissipation and defect dynamics by altering alloy complexity may pave the way for new design principles of radiation-tolerant structural alloys for energy applications.

  14. 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

  15. 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.

  16. 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

  17. 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

  18. Designing room-temperature multiferroic materials in a single-phase solid-solution film

    Science.gov (United States)

    Mao, H. J.; Song, C.; Cui, B.; Peng, J. J.; Li, F.; Xiao, L. R.; Pan, F.

    2016-09-01

    The search for multiferroic materials with simultaneous ferroelectric and ferromagnetic properties in a single phase at room temperature continues to be fuelled from the perspective of developing multifunctional devices. Here we design a single-phase multiferroic La0.67Sr0.33MnO3-BaTiO3 film, which possesses epitaxial single-crystal and solid-solution structure, high magnetic Curie temperature (~640 K) as well as switchable ferroelectric polarization. Moreover, a notable strain-mediated magnetoelectric coupling at room temperature in the way of modulating the magnetism with an external applied voltage is also observed. The synthetic solid-solution multiferroic film may open an extraordinary avenue for exploring a series of room-temperature multiferroic materials.

  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. 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.

  1. 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

  2. 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.).

  3. 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

  4. 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

  5. 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...

  6. 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.

  7. Homogenization of. beta. -solid solution during fast heating of two-phase titanium alloys

    Energy Technology Data Exchange (ETDEWEB)

    Gridnev, V.N.; Zhuravlev, A.F.; Zhuravlev, B.F.; Ivasishin, O.M.; Markovskij, P.E. (AN Ukrainskoj SSR, Kiev. Inst. Metallofiziki)

    1985-01-01

    Using model alloy Ti-10%Mo as an example the homogenization of high-temperature ..beta..-phase during fast heating has been studied by calculational and experimental methods. The effect of heating rate and the initial structure disoersion on the homogenization is shown. A method is suggested for evaluation of the concentration state of ..beta..-solid solution depleted parts of commercial two-phase titanium alloys. The method has been used to study the homogenization process.

  8. Local structure in the disordered solid solution of cis- and trans-perinones.

    Science.gov (United States)

    Teteruk, Jaroslav L; Glinnemann, Jürgen; Heyse, Winfried; Johansson, Kristoffer E; van de Streek, Jacco; Schmidt, Martin U

    2016-06-01

    The cis- and trans-isomers of the polycyclic aromatic compound perinone, C26H12N4O2, form a solid solution (Vat Red 14). This solid solution is isotypic to the crystal structures of cis-perinone (Pigment Red 194) and trans-perinone (Pigment Orange 34) and exhibits a combined positional and orientational disorder: In the crystal, each molecular position is occupied by either a cis- or trans-perinone molecule, both of which have two possible molecular orientations. The structure of cis-perinone exhibits a twofold orientational disorder, whereas the structure of trans-perinone is ordered. The crystal structure of the solid solution was determined by single-crystal X-ray analysis. Extensive lattice-energy minimizations with force-field and DFT-D methods were carried out on combinatorially complete sets of ordered models. For the disordered systems, local structures were calculated, including preferred local arrangements, ordering lengths, and probabilities for the arrangement of neighbouring molecules. The superposition of the atomic positions of all energetically favourable calculated models corresponds well with the experimentally determined crystal structures, explaining not only the atomic positions, but also the site occupancies and anisotropic displacement parameters. PMID:27240774

  9. 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.

  10. 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.

  11. 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.

  12. Cluster-based composition rule for Laves phase-related BCC solid solution hydrogen storage alloys

    Institute of Scientific and Technical Information of China (English)

    WANG Qing; CHEN Feng; WU Jiang; QIANG Jianbing; DONG Chuang; ZHANG Yao; XU Fen; SUN Lixian

    2006-01-01

    A new cluster line approach for the composition rule of Laves phase-related BCC solid solution hydrogen-storage alloys was presented. The cluster line in a ternary phase diagram refers to a straight composition line linking a specific binary cluster to the third element. In the Laves phase-related BCC solid solution alloy system such as Ti-Cr-V, Ti-Cr tends to form binary Cr2Ti Laves phase while Ti-V and Cr-V to form solid solutions. This Laves phase is characterized by a close-packing icosahedral cluster Cr7Ti6. A cluster line Cr7Ti6-V is then constructed in this system. Alloy rods with a diameter of 3 mm of compositions along this line were prepared by copper-mould suction method. The alloy structure is found to vary with the V contents. Furthermore, the P-C-T measurements indicate that the cluster-line (Cr7Ti6)1-xVx alloys have large hydrogen storage capacities.

  13. Homogenization of. beta. -solid solution upon rapid heating of two-phase titanium alloys

    Energy Technology Data Exchange (ETDEWEB)

    Grudnev, V.N.; Zhuravlav, A.F.; Zhuravlev, B.F.; Ivasishin, O.M.; Markovskiy, P.E.

    1985-01-01

    High temperature ..beta.. phase homogenization during rapid heating was studied in a Ti-Mo alloy by mathematical simulation and experimental observation. The method used allows quantitative estimation of the influence of the two major factors determining development of the process of homogenization of the ..beta.. solid solution: heating rate and initial structure dispersion. Successive quenching of specimens from increasing temperatures in the ..beta.. area provides a simple and reliable method of observing the process of homogenization. This method allows experimental development of equations similar to those calculated for the ..beta.. solid solution area with minimum alloying element content. The experimental and calculated results are similar for a heating rate of 300/sup 0/K per second. Heating rate and initial structure dispersion are found to be quite significant in the Ti-10% Mo alloy studied. A method is suggested for estimating the concentration state of impoverished sectors of the ..beta.. solid solution in commercial alloys during rapid heating and used to analyze the inhomogenization. 8 references, 6 figures.

  14. Effect of carbon on formation of mixed solid solutions during mechanochemical synthesis of Ni-Al-Mo-C mixtures and ordering of solutions during heating

    Science.gov (United States)

    Portnoi, V. K.; Leonov, A. V.; Streletskii, A. N.; Logacheva, A. I.

    2014-03-01

    Solid solutions Ni(Al, Mo, C) are formed via milling the Ni2.8Al1Mo0.2 and Ni3Al0.8Mo0.2 and graphite-containing Ni2.8Al1Mo0.2C(0.25, 0.5) and Ni3Al0.8Mo0.2C(0.25, 0.5) mixtures. In this case, some amount of Mo remains beyond the solid solution. Graphite added to a starting mixture decreases the Mo solubility and favors the amorphization of solid solutions. The complete amorphization was found for the mixture with the 5 at % C and 5 at % Mo, which was added instead of Ni. The heating of mechanically synthesized (MS) powder alloys leads to the ordering of carbon-free and carbon-containing solid solutions with the formation of the L12 and E21 structure, respectively. In the course of the ordering of the Ni(Al, Mo, C) solid solutions, Mo and carbon precipitate in the form of the molybdenum carbide (Mo2C) second phase. The hardness of the MS three-phase Ni-Al-Mo-C solid solutions subjected to hot isostatic pressing is determined by the mass fraction of the formed Mo2C carbide. It is shown that the carbon content in the multicomponent antiperovskite can be estimated by analyzing the ratio of integral intensities of superlattice reflections I (100)/ I (110).

  15. 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.

  16. 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.

  17. 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

  18. 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.

  19. 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)

  20. 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

  1. 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.

  2. 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

  3. 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

  4. 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

  5. Inclusion complex of the antiviral drug acyclovir with cyclodextrin in aqueous solution and in solid phase

    Directory of Open Access Journals (Sweden)

    Carlos von Plessing Rossel

    2000-12-01

    Full Text Available Complexation between acyclovir (ACV, an antiviral drug used for the treatment of herpes simplex virus infection, and beta-cyclodextrin (beta-CD was studied in solution and in solid states. Complexation in solution was evaluated using solubility studies and nuclear magnetic resonance spectroscopy (¹H-NMR. In the solid state, X-ray diffraction, differential scanning calorimetry (DSC, thermal gravimetric analysis (TGA and dissolution studies were used. Solubility studies suggested the existence of a 1:1 complex between ACV and beta-CD. ¹H-NMR spectroscopy studies showed that the complex formed occurs with a stoichiometry ratio of 1:1. Powder X-ray diffraction indicated that ACV exists in a semicrystalline state in the complexed form with beta-CD. DSC studies showed the existence of a complex of ACV with beta-CD. The TGA studies confirmed the DSC results of the complex. Solubility of ACV in solid complexes was studied by the dissolution method and it was found to be much more soluble than the uncomplexed drug.

  6. Luminescence properties of the Ca-alpha-sialon:Eu solid solution

    Science.gov (United States)

    Pawlik, Tomasz; Michalik, Daniel; Sopicka-Lizer, Malgorzata; Lisiecki, Radosław; Adamczyk, Barbara; Pławecki, Materusz; Mieszczak, Łukasz; Walerczyk, Wiktoria

    2016-09-01

    The Ca,Eu-α-sialon powders with the mixed solid solution composition have been manufactured via the solid-state reaction process in flowing nitrogen in a graphite furnace at a relatively low temperature of 1650 °C without an external overpressure. XRD data with Rielveld refinement and XPS measurements were used for characterization of the lattice constants and the surface chemical composition. The monophase Ca-Eu-α-sialon was obtained with the nominal composition of Eu0.048Ca0.702Si7.75Al2.25O0.75N15.25. The highest emission intensity in a yellow-orange region at 590 nm and quantum efficiency of 66% was found for this pure Ca,Eu-α-sialon. Estimation of m,n values from the lattice constant and EDS results showed a small deviation from the nominal composition of designed α-sialon. XPS results demonstrated significant changes of the chemical composition in the oxidized surface of phosphor particles. Possible reasons of emission redshift and relationship between the actual solid solution composition and luminescence properties are discussed in terms of simultaneous presence of Eu2+ and Eu3+ ions in the sialon crystal lattice and residual oxynitride glass.

  7. 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)

  8. 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

  9. Microstructural Evolution of Solid-solution-treated Zn-22Al in the Semisolid State

    Institute of Scientific and Technical Information of China (English)

    M.A.M.Arif; M.Z.Omar; N.Muhamad; J.Syarif; P.Kapranos

    2013-01-01

    The effect of solid-solution-treatment on the semisolid microstructure of Zn-22Al with developed dendrites was investigated.Forming Zn-22Al products by semisolid metal processing offers significant advantages,such as reductions in macro-segregation,porosity and forming costs.Thermal and microstructural analyses of the formed Zn-22Al alloy were performed by differential scanning calorimetry,scanning electron microscopy and optical microscopy.The changes in the microstructures and phase transformation in response to various solidsolution-treatments were analysed.In this study,as-cast samples were held isothermally at 330 ℃ for 0.5-5 h and then partially remelted at a semisolid temperature of 438 ℃ for 1 h to produce a solid-globular grain structure in a liquid matrix.A non-dendritic semisolid microstructure could not be obtained when the traditionally cast Zn-22Al alloy with developed dendrites was subjected directly to partial remelting.After solid-solution-treatment at 330 ℃,the black interdendritic eutectics were dissolved,and the dendritic structures gradually transformed into uniform β structures when the treatment time was increased.The coarsened and merged dendrites were separated as a result of penetration by the liquid phase and melting of the residual eutectic at sites along the former grain boundaries.The microstructure of the solid-solutiontreated sample transformed into a small globular structure; the best shape factor of 0.9,corresponding to a particle size of 40 ± 16 μm,is achieved when the sample was treated for 3 h followed by direct partial remelting into its semisolid zone.

  10. EXAFS STUDY OF THE SHORT RANGE STRUCTURE OF NANOCRYSTALLINE BCC-Fe80Cu20 SOLID SOLUTION

    Institute of Scientific and Technical Information of China (English)

    Y.Z. Yang; X.J. Bai; T.C. Kuang; G.M. Wang; S. Q. Wei

    2002-01-01

    The structure of bcc-Fe80 Cu2o solid solution produced by mechanical alloying of theelemental bcc-Fe and fcc-Cu powders has been studied using X-ray diffraction and theextended X-ray absorption fine structure (EXAFS) techniques. The disappearance ofelemental Fe and Cu X-ray diffraction (XRD) peaks and the presence of bcc structuralXRD peaks illustrate the formation of a nanocrystalline single-phase bcc-Fe80 Gu20solid solution. From the EXAFS results, the clear observation of Cu atoms taking onbcc coordination in the solid solution and Fe atoms remaining bcc structure furtherverifies the reality of atomic alloying between Fe and Cu atoms and the lattice changeof Cu from fcc to bcc. However, the supersaturated bcc solid solution is not chemicallyuniform, i.e., some regions are rich in Fe atoms and other regions rich in Cu atoms.

  11. 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

  12. 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.

  13. 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.

  14. 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.

  15. Precipitation and Solid Solution of Titanium Carbonitride Inclusions in Hypereutectoid Tire Cord Steel

    Institute of Scientific and Technical Information of China (English)

    Chen-fan YU; Zheng-liang XUE; Wu-tao JIN

    2016-01-01

    The properties of titanium carbonitride Ti(Cx N1-x )inclusions precipitated during solidification of tire cord steels and the thermodynamic conditions for their decomposition and solid solution during billet heating were investigated using a thermodynamics method.The solid solution of Ti(Cx N1 -x )inclusions during high-temperature heating was also studied experimentally.The results revealed that:(1)the higher the content of carbon in the tire cord steel is, the greater the value of x in the Ti(Cx N1 -x )inclusions is;(2)the higher the content of carbon in the tire cord steel is,the earlier the Ti(Cx N1 -x )inclusions precipitated during the solidification process and the lower the solidification front temperature is during precipitation;(3)when an 82A steel sample was heated to 1 087 ℃,the Ti(Cx N1 -x )in-clusions possess the thermodynamic conditions of decomposition and solid solution;and (4)when 82A samples were heated to 1 1 50 and 1 250 ℃,the total number of Ti(Cx N1 -x )inclusions larger than 5 μm in diameter decreased by 55.0% and 70.3%,respectively.In addition,although smaller inclusions with diameter less than 2 μm continued to decompose when the sample was heated at 1 250 ℃ for 2 h and then cooled to 1 000 ℃ in the furnace,the number of inclusions larger than 5 μm in diameter increased.

  16. 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

  17. 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).

  18. 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...

  19. Synthesis and Characterization of Nanocapsules of α-Fe(NiCoAl) Solid-solution

    Institute of Scientific and Technical Information of China (English)

    Dianyu GENG; J.C. Kim; C.J. Choi; Chonglin CHEN; Xinguo ZHAO; Zhidong ZHANG

    2005-01-01

    α-Fe(NiCoAl) solid-solution nanocapsules were prepared with pure powders of Fe, Ni, Co and Al by the plasma arc-discharging using a copper crucible. The shapes of the nanocapsules are in polyhedrons with the core/shell structure. The body centered cubic (BCC) phase is formed in the core. The size of the nanocapsules is in the range of 10~120 nm and the thickness of the shell is 4~11 nm. Saturation magnetization Js=150 Am2/kg and coercivity iHC=24.3 kA/m are achieved for the nanocapsules.

  20. Photovoltaic properties of Zr(x)Ti(1-x)O2 solid solution nanowire arrays.

    Science.gov (United States)

    Gu, Xuehui; Liu, Guohua; Zhang, Min; Zhang, Haifeng; Zhou, Jingran; Guo, Wenbin; Chen, Yu; Ruan, Shengping

    2014-05-01

    In this paper, Zr(0.05Ti(0.95)O2 solid solution nanowire arrays (NWs) were prepared by a low temperature hydrothermal method. The as-prepared NWs were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and UV-visible (UV-vis) spectroscopy. With the doping of Zr content, the band gap of the composite can be varied in a wide range and excellent photoelectric properties of the arrays could be obtained. Moreover, a preliminary study on the photoelectric properties was conducted, which indicates potential applications of the arrays for fabricating high performance ultraviolet photodetectors.

  1. 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.

  2. 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

  3. 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

  4. 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.

  5. 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

  6. 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.

  7. Interatomic interactions and thermodynamic parameters in dilute solid solutions of the Ag-Au system

    Science.gov (United States)

    Bogdanov, V. I.; Bol'shov, L. A.; Korneichuk, E. A.; Popov, V. A.; Korneichuk, S. K.; Badanin, D. A.

    2015-07-01

    The thermodynamic parameters of interaction and the enthalpy parameters are of fundamental importance in the theory of solutions, i.e., the coefficients of the expansion of partial excess thermodynamic functions into series in terms of the concentrations of the dissolved components. In the approximation of pairwise interactions between the impurity atoms in the solution, the above parameters can be computed using the methods of the density-functional theory in the electron theory of alloys. As an example, the substitutional solid solutions of Au in Ag have been chosen, which are formed by atoms of the components with close chemical properties, in which the deformation interactions should be small, and in which there is no need to take into account the complex magnetic contributions to the pair potentials. The total energy of the dilute solution of Au in Ag and the contributions from the chemical and strain-induced interactions to the potentials of pairwise interactions are calculated up to the seventh coordination shell. Quite satisfactory agreement with the thermodynamic parameters obtained from the experimental data has been obtained.

  8. 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

  9. 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.

  10. CO oxidation on Ta-Modified SnO2 solid solution catalysts

    Science.gov (United States)

    Han, Xue; Xu, Xianglan; Liu, Wenming; Wang, Xiang; Zhang, Rongbin

    2013-06-01

    Co-precipitation method was adopted to prepare Sn-Ta mixed oxide catalysts with different Sn/Ta molar ratios and used for CO oxidation. The catalysts were investigated by N2-Brunauer-Emmett-Teller (N2-BET), X-ray diffraction patterns (XRD), H2-temperature programmed reduction (H2-TPR), Thermal Gravity Analysis - Differential Scanning Calorimetry (TGA-DSC) techniques. It is revealed that a small amount of Ta cations can be doped into SnO2 lattice to form solid solution by co-precipitation method, which resulted in samples having higher surface areas, improved thermal stability and more deficient oxygen species on the surface of SnO2. As a result, those Sn rich Sn-Ta solid solution catalysts with an Sn/Ta molar ratio higher than 4/2 showed significantly enhanced activity as well as good resistance to water deactivation. It is noted here that if tantala disperses onto SnO2 surface instead of doping into its lattice, it will then have negative effect on its activity.

  11. 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.

  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. 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.

  15. Mechanistic study of carvacrol processing and stabilization as glassy solid solution and microcapsule.

    Science.gov (United States)

    Tackenberg, Markus W; Geisthövel, Carola; Marmann, Andreas; Schuchmann, Heike P; Kleinebudde, Peter; Thommes, Markus

    2015-01-30

    Essential oils and other liquid active pharmaceutical ingredients (APIs) are frequently microencapsulated to improve shelf life, handling, and for tailoring release. A glassy solid solution (GSS), a single-phase system, where the excipient is plasticized by the API, could be an alternative formulation system. Thus this study focuses on the investigation of two formulation strategies using carvacrol as a model compound, namely a microcapsule (MC) and a glassy solid solution (GSS). Applying the solubility parameter approach, polyvinylpyrrolidone (PVP) was chosen as a suitable matrix material for a GSS system, whereas maltodextrin and sucrose served as excipients for a microcapsule (MC) system. Differential scanning calorimetry (DSC) measurements of the excipients' glass transition temperatures and the melting point of carvacrol verified plasticizing properties of carvacrol on PVP. Batch mixing processes, as preliminary experiments for future extrusion processes, were performed to prepare GSSs and MCs with various amounts of carvacrol, followed by crushing and sieving. Maximally 4.5% carvacrol was encapsulated in the carbohydrate material, whereas up to 16.3% were stabilized as GSS, which is an outstanding amount. However, grinding of the samples led to a loss of up to 30% of carvacrol.

  16. 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.

  17. 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.

  18. 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

  19. Dissolution of aragonite-strontianite solid solutions in nonstoichiometric Sr (HCO3)2-Ca (HCO3)2-CO2-H2O solutions

    Science.gov (United States)

    Plummer, L.N.; Busenberg, E.; Glynn, P.D.; Blum, A.E.

    1992-01-01

    Synthetic strontianite-aragonite solid-solution minerals were dissolved in CO2-saturated non-stoichiometric solutions of Sr(HCO3)2 and Ca(HCO3)2 at 25??C. The results show that none of the dissolution reactions reach thermodynamic equilibrium. Congruent dissolution in Ca(HCO3)2 solutions either attains or closely approaches stoichiometric saturation with respect to the dissolving solid. In Sr(HCO3)2 solutions the reactions usually become incongruent, precipitating a Sr-rich phase before reaching stoichiometric saturation. Dissolution of mechanical mixtures of solids approaches stoichiometric saturation with respect to the least stable solid in the mixture. Surface uptake from subsaturated bulk solutions was observed in the initial minutes of dissolution. This surficial phase is 0-10 atomic layers thick in Sr(HCO3)2 solutions and 0-4 layers thick in Ca(HCO3)2 solutions, and subsequently dissolves and/or recrystallizes, usually within 6 min of reaction. The initial transient surface precipitation (recrystallization) process is followed by congruent dissolution of the original solid which proceeds to stoichiometric saturation, or until the precipitation of a more stable Sr-rich solid. The compositions of secondary precipitates do not correspond to thermodynamic equilibrium or stoichiometric saturation states. X-ray photoelectron spectroscopy (XPS) measurements indicate the formation of solid solutions on surfaces of aragonite and strontianite single crystals immersed in Sr(HCO3)2 and Ca(HCO3)2 solutions, respectively. In Sr(HCO3)2 solutions, the XPS signal from the outer ~ 60 A?? on aragonite indicates a composition of 16 mol% SrCO3 after only 2 min of contact, and 14-18 mol% SrCO3 after 3 weeks of contact. The strontianite surface averages approximately 22 mol% CaCO3 after 2 min of contact with Ca(HCO3)2 solution, and is 34-39 mol% CaCO3 after 3 weeks of contact. XPS analysis suggests the surface composition is zoned with somewhat greater enrichment in the outer ~25

  20. Valence electron structure of the(ZrTi)B2 solid solutions calculated by the three models

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    The Zr-rich(Zr0.8Ti0.2)B2 and the Ti-rich(Ti0.8Zr0.2)B2 solid solutions are formed when TiB2 and ZrB2 are hot-pressed.To forecast the properties of the two solid solutions,their valence electron structure was analyzed based on the empirical electron theory(EET) of solids and molecules.We used three different models,the average atom model,the average cell model and the real cell model,and compared with the calculation results from the three models.In the real cell model,the lattice constants of the solid solu-tions were supposed to be changed or unchanged.The results showed that different models could only result in slight change in the hybridization levels of the metal atoms in the two solid solutions and little difference between the calculation values.However,they can not change the variant trend of the va-lence electron structure nor the properties of the solid solutions.Thus,the three models and the methods are appropriate and the calculation results are reasonable and consistent.

  1. Cobalt incorporation in calcite: thermochemistry of (Ca,Co)CO3 solid solutions from density functional theory simulations

    Science.gov (United States)

    González-López, Jorge; Ruiz-Hernández, Sergio E.; Fernández-González, Ángeles; Jiménez, Amalia; de Leeuw, Nora H.; Grau-Crespo, Ricardo

    2015-04-01

    The incorporation of cobalt in mixed metal carbonates is a possible route to the immobilization of this toxic element in the environment. However, the thermodynamics of (Ca,Co)CO3 solid solutions are still unclear due to conflicting data from experiment and from the observation of natural ocurrences. Atomistic computer simulations, which allow the evaluation of thermodynamic properties without the interference of unknown kinetic factors, have been increasingly used in recent years for the investigation of the thermodynamics of mixing and impurity incorporation in carbonate. We report here the results of a computer simulation study of the mixing of calcite (CaCO3) and spherocobaltite (CoCO3), using density functional theory calculations. Our simulations suggest that previously proposed thermodynamic models, based only on observed compositions, significantly overestimate the solubility between the two solids and therefore underestimate the extension of the miscibility gap under ambient conditions. The enthalpy of mixing of the disordered solid solution is strongly positive and moderately asymmetric: calcium incorporation in spherocobaltite is more endothermic than cobalt incorporation in calcite. Ordering of the impurities in (0001) layers is energetically favourable with respect to the disordered solid solution at low temperatures and intermediate compositions, but the ordered phase is still unstable to demixing. The solvus and spinodal lines in the phase diagram using a sub-regular solution model has been also calculated, and conclude that many Ca1-xCoxCO3 mineral solid solutions (with observed compositions of up to x=0.027, and above x=0.93) are metastable with respect to phase separation. The strong non-ideality of this solid solution has an important effect on the solid solution / aqueous solution thermodynamic partitioning: the equilibrium level of substitutional impurities in the endmember solids is always low, regardless of the composition of the aqueous

  2. Solid solution or amorphous phase formation in TiZr-based ternary to quinternary multi-principal-element films

    Directory of Open Access Journals (Sweden)

    Mariana Braic

    2014-08-01

    The deposited films exhibited only solid solution (fcc, bcc or hcp or amorphous phases, no intermetallic components being detected. It was found that the hcp structure was stabilized by the presence of Hf or Y, bcc by Nb or Al and fcc by Cu. For the investigated films, the atomic size difference, mixing enthalpy, mixing entropy, Gibbs free energy of mixing and the electronegativity difference for solid solution and amorphous phases were calculated based on Miedema׳s approach of the regular solution model. It was shown that the atomic size difference and the ratio between the Gibbs free energies of mixing of the solid solution and amorphous phases were the most significant parameters controlling the film crystallinity.

  3. Mechanosynthesis and mechanolysis of solid solutions of La{sub 2}O{sub 3} with some rare earth oxides

    Energy Technology Data Exchange (ETDEWEB)

    Todorowsky, D. [Sofia Univ. (Bulgaria). Khimicheski Fakultet; Terziev, A. [Sofia Univ. (Bulgaria). Khimicheski Fakultet; Minkova, N. [Sofia Univ. (Bulgaria). Khimicheski Fakultet

    1996-12-31

    The effect of the mechanoactivation on Y{sub 2}O{sub 3}, Nd{sub 2}O{sub 3} and CeO{sub 2}, on mixtures of La{sub 2}O{sub 3} with each of these oxides as well as on the solid solutions La{sub 2}O{sub 3}-CeO{sub 2} is studied. The activation causes a decrease of the individual oxides` unit cell parameters. The formation of solid solutions of La{sub 2}O{sub 3} with the oxides studied is found. Under the conditions of activation in air no decomposition of La{sub 2}O{sub 3}-CeO{sub 2} solid solution is detected. The solution is, however, destroyed when the activation is carried out in the presence of acids. (orig.)

  4. 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

  5. Molecular Dynamics Study of Stability of Solid Solutions and Amorphous Phase in the Cu-Al System

    Institute of Scientific and Technical Information of China (English)

    YANG Bin; LAI Wen-Sheng

    2009-01-01

    The relative stability of fcc and bcc solid solutions and amorphous phase with different compositions in the Cu-Al system is studied by molecular dynamics simulations with n-body potentials.For Cu1-xAlx alloys,the calculations show that the fcc solid solution has the lowest energies in the composition region with x<0.32 or x>0.72,while the bcc solid solution has the lowest energies in the central composition range,in agreement with the ball-milling experiments that a single bcc solid solution with 0.30<x< 0.70 is obtained.The evolution of structures in solid solutions and amorphous phase is studied by the coordination number (CN) and bond-length analysis so as to unveil the underlying physics.It is found that the energy sequence among three phases is determined by the competition in energy change originating from the bond length and CNs (or the number of bonds).

  6. 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

  7. Multi-component solid solution and cluster hardening of Al–Mn–Si alloys

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Qinglong [Department of Materials Science and Engineering, Norwegian University of Science and Technology, Trondheim N-7491 (Norway); Holmedal, Bjørn, E-mail: bjorn.holmedal@ntnu.no [Department of Materials Science and Engineering, Norwegian University of Science and Technology, Trondheim N-7491 (Norway); Li, Yanjun [Department of Materials Science and Engineering, Norwegian University of Science and Technology, Trondheim N-7491 (Norway); Sagvolden, Espen; Løvvik, Ole Martin [SINTEF Materials and Chemistry, Oslo N-0314 (Norway)

    2015-02-11

    Tensile tests on Al–Mn–Si ternary alloys show that a small amount of Si increases significantly the strength compared to Al–Mn binary alloys with the same concentration of Mn. This cannot be explained by classical theories for multi-element substitutional solid solution hardening under the assumption of no interaction between different alloying elements. A new simplified cluster strengthening model which addresses both the chemical and size misfit effects of atom dimers is proposed this work. The binding energies and misfit of dimers were estimated by first principles atomistic simulations. The prediction results of the model are reasonably consistent with the experimental results. It shows that the main strengthening contribution is due to the misfit of dimers.

  8. 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...

  9. 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.

  10. 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.

  11. Solution-based carbohydrate synthesis of individual solid, hollow, and porous carbon nanospheres using spray pyrolysis.

    Science.gov (United States)

    Wang, Chengwei; Wang, Yuan; Graser, Jake; Zhao, Ran; Gao, Fei; O'Connell, Michael J

    2013-12-23

    A facile and scalable solution-based, spray pyrolysis synthesis technique was used to synthesize individual carbon nanospheres with specific surface area (SSA) up to 1106 m(2)/g using a novel metal-salt catalyzed reaction. The carbon nanosphere diameters were tunable from 10 nm to several micrometers by varying the precursor concentrations. Solid, hollow, and porous carbon nanospheres were achieved by simply varying the ratio of catalyst and carbon source without using any templates. These hollow carbon nanospheres showed adsorption of to 300 mg of dye per gram of carbon, which is more than 15 times higher than that observed for conventional carbon black particles. When evaluated as supercapacitor electrode materials, specific capacitances of up to 112 F/g at a current density of 0.1 A/g were observed, with no capacitance loss after 20,000 cycles.

  12. 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)

  13. Formation of metastable solid solutions by mechanical alloying of immiscible Ag and Bi

    Energy Technology Data Exchange (ETDEWEB)

    Musu, Elodia [Laboratorio di Telemicroscopia Industriale, Sardegna Ricerche, Polaris, Parco Tecnologico della Sardegna, Edificio 3, Loc. Piscinamanna, 09010 Pula (Italy); Mura, Giovanna [Dipartimento di Ingegneria Elettrica ed Elettronica, Università degli Studi di Cagliari, via Marengo 2, 09123 Cagliari (Italy); Ligios, Giorgio [Dipartimento di Ingegneria Meccanica, Chimica, e dei Materiali, Università degli Studi di Cagliari, via Marengo 2, 09123 Cagliari (Italy); Delogu, Francesco, E-mail: francesco.delogu@dimcm.unica.it [Dipartimento di Ingegneria Meccanica, Chimica, e dei Materiali, Università degli Studi di Cagliari, via Marengo 2, 09123 Cagliari (Italy)

    2013-11-05

    Highlights: •Ag powders with different Vickers micro-hardness were prepared by ball milling. •They were mechanically alloyed with Bi. •Bi dissolves into Ag exceeding the solubility limits. •Bi dissolution rate and solubility degree depend on the Ag Vickers micro-hardness. -- Abstract: This work investigates the effects of the Vickers micro-hardness of Ag powders on the alloying process undergone by Ag{sub 90}Bi{sub 10} powder mixtures submitted to ball milling. The transformation kinetics has been studied by quantitative X-ray diffraction. The experimental findings indicate that Bi gradually dissolves into Ag, finally forming a crystalline solid solution in which thermodynamic solubility limits are largely exceeded. It is shown that the rate of Bi dissolution, and the solubility degree, decrease as the Vickers micro-hardness of Ag powders increases.

  14. 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

  15. Diffuse scattering measurements of static atomic displacements in crystalline binary solid solutions

    Energy Technology Data Exchange (ETDEWEB)

    Ice, G.E.; Sparks, C.J.; Jiang, X.; Robertson, L.

    1997-09-01

    Diffuse x-ray scattering from crystalline solid solutions is sensitive to both local chemical order and local bond distances. In short-range ordered alloys, fluctuations of chemistry and bond distances break the long-range symmetry of the crystal within a local region and contribute to the total energy of the alloy. Recent use of tunable synchrotron radiation to change the x-ray scattering contrast between elements has greatly advanced the measurement of bond distances between the three kinds of atom pairs found in crystalline binary alloys. The estimated standard deviation on these recovered static displacements approaches {+-}0.001 {angstrom} (0.0001 nm) which is an order of magnitude more precise than obtained with EXAFS. In addition, both the radial and tangential displacements can be recovered to five near neighbors and beyond. These static displacement measurements provide new information which challenges the most advanced theoretical models of binary crystalline alloys. 29 refs., 8 figs., 2 tabs.

  16. 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).

  17. 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.

  18. 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

  19. 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)

  20. 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

  1. 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.

  2. 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

  3. 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.)

  4. 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...

  5. 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)

  6. 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.)

  7. Doping of Ceria-Zirconia Solid Solution with Rare-earth Elements

    Institute of Scientific and Technical Information of China (English)

    HU Yu-cai; FENG Chang-gen; WANG Li-qiong; WANG Ya-jun

    2004-01-01

    The increasingly restrictive regulations on car exhaust emissions will necessitate the development of a new generation of three way catalysts (TWC) with better performance1. Ceria (CeO2) is the main component of the current TWC: its key role is to compensate the fluctuations in the exhaust stream composition, therefore, allowing to expand the air/fuel(A/F) operating window of catalytic converters2. This property is related to its oxygen storage capacity (OSC), associated to the redox couple Ce4+/Ce3+. However, CeO2 alone is easy to sinter to lost OSC at high temperature3.Ceria-zirconia (CexZr1-xO2) solid solutions by incorporation of Zr4+ in the CeO2 lattice have enhanced OSC and greater thermal stability, which are becoming the key materials for the new generation of TWC4. OSC of ceria-zirconia solid solutions can be further improved by the addition of M3+ dopants5. Besides Ce, other rare-earth elements such as Pr and Tb can vary their oxidation state. Pr and Tb are particularly suitable for making solid solutions with cerium because the known structure of PrO2 and TbO2 is of the cubic fluorite type, and the ionic radii of Pr4+ and Tb4+ are close to that of Ce4+6.In this paper, Ce0.6Zr0.3M0.1O2 (M=Y, La, Pr, Tb) were prepared by co-precipitation technique and characterized by a series of methods. Meanwhile, palladium-only TWCs were prepared by slurry coating and their catalytic activity was evaluated under the condition of simulated exhaust in the lab.XRD and FT-Raman spectra results show Ce0.6Zr0.3M0.1O2 have cubic fluorite structure which keep unchanging at high temperature. The different dopant ion radii brought different effect on the cell parameter of Ce0.6Zr0.3M0.1O2. The X-ray photoelectron spectroscopy (XPS) results show that the binding energy of Ce3d, Zr3d and O1s for Ce0.6Zr0.3M0.1O2 rose compared with that for Ce0.6Zr0.4O2, indicating dopant elements changed chemistry environment of solid solutions which was available to improve redox performance From

  8. Solid Solution Nitriding Technology of 15Cr-7.5Mn-2.6Mo Duplex Stainless Steel

    Institute of Scientific and Technical Information of China (English)

    FU Rui-dong; ZHAO Pin; WANG Chun-Yu; QIU Liang; ZHENG Yang-zeng

    2004-01-01

    Solid solution nitriding technologies of 15Cr-7.5Mn-2.6Mo duplex stainless steel were investigated by using of orthogonal tests. The results show that the best technology would be the processes of 1050℃× 2h + 1150℃× 3h +1050℃× 2h + 1150℃× 4h under pure N2 with PN2=0.15MPa. The high nitrogen austenitic case with the depth of1.62mm can be obtained. Orthogonal tests show that the type of atmosphere has the most notable effect on solid solution nitriding process; the pressure in the furnace and the nitriding processes has a notable effect. X-ray diffraction analyses results indicate that the main phases in the cases of the solution-nitrided samples cooled in the furnace are high nitrogen austenite, CrN, Fe3O4 and nitrogen containing ferrite. In the other samples experienced solid solution nitriding and solution treatment the obtained phase in the cases is high nitrogen austenite only. The results show that solid solution nitriding is a process that nitrogen absolutely diffuses in the austenite. The diffusing activation energy in the conditions of PN2 = 0.15MPa and 1050℃~ 1200℃ is 186.6K J/mol.

  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. PAC experiments for a short range study of the Zr(10%Pr)O2 solid solution

    Science.gov (United States)

    Martínez, J. A.; Caracoche, M. C.; Rivas, P. C.; Rodríguez, A. M.

    2006-07-01

    A Zr(10 mol % Pr)O2 powder obtained by high-energy ball milling has been investigated at nanoscopic scale using primarily the Perturbed Angular Correlations technique. The aim has been to determine the nanoconfigurations around Zr4+ cations present in the solid solution and their thermal evolution with the intention of providing knowledge on the stability of the system. Results indicate that the milled product is a substitutional cubic solid solution described by two hyperfine interactions: a highly disordered interaction due to oxygen vacancies located very close to Zr4+ and an ordered interaction probably depicting a charge distribution including Pr3+ as nearest neighbor to Zr4+ probes. On cooling from high temperatures, monoclinic zirconia appears mostly at the expense of the oxygen defective cubic form. A gradual cooling indicates that destabilization of the solid solution takes place around 500°C. Thermal cycling leads to increasing amounts of the monoclinic phase.

  11. 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.

  12. 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

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

    Energy Technology Data Exchange (ETDEWEB)

    Loureiro, J.M. [CEMDRX, Physics Department, University of Coimbra, P-3004-516 Coimbra (Portugal); Costa, B.F.O., E-mail: benilde@ci.uc.pt [CEMDRX, Physics Department, University of Coimbra, P-3004-516 Coimbra (Portugal); Le Caeer, G. [IPR, UMR URI-CNRS 6251, Universite de Rennes I, Campus de Beaulieu, Bat 11A, F-35042 Rennes Cedex (France)

    2012-09-25

    Highlights: Black-Right-Pointing-Pointer (Fe{sub 50-x/2}Co{sub 50-x/2})Sn{sub x} mixtures are mechanically alloyed for x {<=} 33 at.%. Black-Right-Pointing-Pointer As-ground powders are studied by X-ray diffraction and {sup 57}Fe and {sup 119}Sn Moessbauer spectroscopy. Black-Right-Pointing-Pointer Supersaturated solutions of Sn in disordered bcc FeCo alloys are formed in our dynamical conditions up to x {<=} 20 at.%. Black-Right-Pointing-Pointer This maximum Sn solubility found is much larger than the equilibrium solubility which is about 0.5 at.%. Black-Right-Pointing-Pointer The mean {sup 119}Sn 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 (Fe{sub 50-x/2}Co{sub 50-x/2})Sn{sub x} is studied for x {<=} 33 at.%. Disordered nanocrystalline bcc solid solutions are formed in that way up to Sn contents as large as {approx}20 at.%. The dissolution of Sn in near-equiatomic bcc Fe-Co is unambiguously proven by X-ray diffraction and {sup 57}Fe and {sup 119}Sn Moessbauer spectroscopy.

  14. 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.

  15. Corrosion behavior of solid solution (Ti,Al)N as a function of Al concentration

    Energy Technology Data Exchange (ETDEWEB)

    Larijani, M.M.; Seyedi, H. [Nuclear Science and Technology Research Institute, P. O. Box 31485-498, Karaj (Iran, Islamic Republic of); Manouchehrian, M. [Department of Physics, Science Faculty, South Tehran Branch, Islamic Azad University, Tehran (Iran, Islamic Republic of); Yari, M. [Engineering Department Materials, Science and Research Branch, Islamic Azad University, Tehran (Iran, Islamic Republic of)

    2012-08-15

    In this work, a series of (Ti, Al) N coatings with different Al contents were deposited on 304 stainless steel substrates by Hollow Cathode Discharge (HCD) method. The coatings were grown on 304 stainless steel substrates at 400 C. The coatings were characterized using energy dispersive X-ray spectroscopy (EDX), X-ray diffraction (XRD), atomic force microscopy (AFM), and microhardness test. The XRD confirmed the transition from TiN phase to (Ti, Al) N phase and then to AlN phase with increasing Al concentration in the solid solution. It was found that with increasing Al concentration the hardness of the coatings initially increased up to a maximum value of about 30 GPa at around 32 at.% of Al and then the coating hardness decreased rapidly with further increase of Al content (Al > 32 at.%). The potentiodynamic polarization analysis was carried out in 3.5 wt.% NaCl solutions to study the corrosion resistance of the coatings. From the corrosion test it can be inferred that the amount of Al atoms in the coatings plays an important role for reducing the corrosion. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  16. 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

  17. 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

  18. Synthesis of a highly hydrophobic cyclic decapeptide by solid-phase synthesis of linear peptide and cyclization in solution

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    A general method was described to synthesize a highly hydrophobic cyclic peptide,cyclo[LWLWLWLWLQ]where underlines indicate D-configuration of the amino acid,by a two-step solid-phase/solution synthesis strategy.The linear decapeptide was assembled by standard Boc chemistry on solid-phase and subsequently cyclized in solution with high efficiency and reproducibility. In subsequent purification by semi-preparative HPLC,50%(v/v) DMF/H_2O was employed as the solvent to overcome the difficulty of solubilizat...

  19. Radiation-induced protein fragmentation and inactivation in liquid and solid aqueous solutions. Role of OH and electrons

    Energy Technology Data Exchange (ETDEWEB)

    Audette-Stuart, Marilyne [Atomic Energy of Canada Limited, CANDU Life Sciences Center, Chalk River Laboratories, Chalk River Ont., K0J 1J0 (Canada); Houee-Levin, Chantal [Laboratoire de Chimie Physique, UMR-8000 CNRS-Universite Paris XI, Centre Universitaire, F-91405 Orsay Cedex (France)]. E-mail: chantal.houee-levin@lcp.u-psud.fr; Potier, Michel [Service de genetique medicale, Hopital Sainte-Justine, Universite de Montreal, Montreal Que., H3 T 1C5 (Canada)

    2005-02-01

    Irradiation of proteins in diluted liquid aqueous solutions produces cleavages and polymerizations of the peptidic chains. In frozen solutions, fragmentation is observed but polymerization products are absent. Loss of activity occurs in both cases. In the solid state, yields of fragmentation do not vary with the quantity of water. The use of scavengers indicates that hydroxyl radical does not contribute significantly to fragmentation and to inactivation in the solid state. Electrons within the water molecules closely associated with the protein are involved in the processes leading to protein fragmentation.

  20. 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.

  1. 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.

  2. 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.

  3. 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

  4. 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.

  5. 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 ...

  6. 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.

  7. 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).

  8. 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

  9. 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.

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

    Directory of Open Access Journals (Sweden)

    Jesús-Alejandro Peña-Jiménez

    2016-09-01

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

  11. 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.)

  12. Special quasirandom structure modeling of fluorite-structured oxide solid solutions with aliovalent cation substitutions

    Science.gov (United States)

    Wolff-Goodrich, Silas; Hanken, Benjamin E.; Solomon, Jonathan M.; Asta, Mark

    2015-07-01

    The accuracy of the special quasirandom structure (SQS) approach for modeling the structure and energetics of fluorite-structured oxide solid solutions with aliovalent cation substitutions is assessed in an ionic-pair potential study of urania and ceria based systems mixed with trivalent rare-earth ions. Mixing enthalpies for SQS supercells containing 96 and 324 lattice sites were calculated using ionic pair potentials for U0.5La0.5O1.75, U0.5Y0.5O1.75, Ce0.5La0.5O1.75, Ce0.5Y0.5O1.75, and Ce0.5Gd0.5O1.75, which all have stoichiometries of pyrochlores. The SQS results were compared to benchmark values for random substitutional disorder obtained using large supercell models. The calculations show significant improvement of the mixing enthalpy for the larger 324 site SQS, which is attributed to a better description of the structural distortions, as characterized by the radial distribution functions in relaxed systems.

  13. Synthesis and sintering of a monazite brabantite solid solution ceramic for nuclear waste storage

    Science.gov (United States)

    Montel, Jean-Marc; Glorieux, Benoit; Seydoux-Guillaume, Anne-Magali; Wirth, Richard

    2006-12-01

    Various geological arguments suggest that monazite can be an interesting waste-form for actinides such as Np, Pu, Cm and Am. We set up a simple procedure for making dense pellets of monazite brabantite solid solution ceramics with composition Ca0.092Th0.092Ce0.089La0.727PO4. It consists of co-milling CaCO3, ThO2, CeO2, La2O3, and NH4H2PO4, 1250 °C calcination, milling, cold-pressing, and sintering at 1450 °C for 4 h. X-ray investigations showed that the reaction scheme from oxides to monazite is complex and involves various P+La-based intermediate compounds. The final density of the the product is around 95% of the theoretical density. The texture is homogeneous with a typical grain of size 5 20 μm. This process is designed to be adapted to hot cells and telemanipulators.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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

  20. 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.

  1. 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.

  2. 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%.

  3. 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.)

  4. 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

  5. Planet Patrol. An Environmental Unit on Solid Waste Solutions for Grades 4-6.

    Science.gov (United States)

    Procter and Gamble Educational Services, Cincinnati, OH.

    This classroom unit was developed for use in grades 4-6 to help teach the concept of solid waste management. The teacher's guide provides an overview of the issue of solid waste disposal, a description of government, industry, and consumer roles in resolving the solid waste issue, and four lessons involving sanitary landfills, the reduction of…

  6. 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.

  7. Catalytic combustion study of soot on Ce0.7Zr0.3O2 solid solution

    Institute of Scientific and Technical Information of China (English)

    FANG Ping; LU Jiqing; XIAO Xiaoyan; LUO Mengfei

    2008-01-01

    The Ce0.7Zr0.3O2 solid solution and CeO2 were prepared using the sol-gel method. The phase structure, crystallite sizes and the reducibility of the catalysts were characterized by XRD and H2-TPR techniques. XRD results indicated that Zr4+ had replaced part of Ce4+ to form a fluorite-like solid solution, which was favorable to obtain ultrafine nanoparticles. The ratio of main H2 consumption for Ce0.7Zr0.3O2:CeO2 was 4.4:1.0, implying that the solid solution could improve the reducibility compared to the single CeO2. The Ce0.7Zr0.3O2 solid solution catalyst showed a sharp combustion peak at 397 oC, which was 200 oC lower than that of the single soot. The good catalytic activity of the Ce0.7Zr0.3O2 was attributed to the formation of nano-CeO2-based solid solution, which enhanced the reducibility and then improved the combustion activity. As Ce0.7Zr0.3O2 could be easily reduced to Ce0.7Zr0.3O2-x, meanwhile, after oxygenation, the Ce0.7Zr0.3O2-x was recovered to Ce0.7Zr0.3O2 completely. A catalytic combustion reaction mechanism was proposed: the Ce0.7Zr0.3O2 was reduced to Ce0.7Zr0.3O2-x by the reaction with carbon and then it was recovered to Ce0.7Zr0.3O2-x by the interaction with O2.

  8. 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.

  9. 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

  10. 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.

  11. Convergent solid-phase and solution approaches in the synthesis of the cysteine-rich Mdm2 RING finger domain.

    Science.gov (United States)

    Vasileiou, Zoe; Barlos, Kostas; Gatos, Dimitrios

    2009-12-01

    The RING finger domain of the Mdm2, located at the C-terminus of the protein, is necessary for regulation of p53, a tumor suppressor protein. The 48-residues long Mdm2 peptide is an important target for studying its interaction with small anticancer drug candidates. For the chemical synthesis of the Mdm2 RING finger domain, the fragment condensation on solid-phase and the fragment condensation in solution were studied. The latter method was performed using either protected or free peptides at the C-terminus as the amino component. Best results were achieved using solution condensation where the N-component was applied with the C-terminal carboxyl group left unprotected. The developed method is well suited for large-scale synthesis of Mdm2 RING finger domain, combining the advantages of both solid-phase and solution synthesis. PMID:19824037

  12. 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.

  13. 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.

  14. 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.

  15. 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

  16. 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.

  17. Optical and morphological characteristics of zinc selenide-zinc sulfide solid solution crystals

    Science.gov (United States)

    Singh, N. B.; Su, Ching-Hua; Arnold, Bradley; Choa, Fow-Sen

    2016-10-01

    Experiments were performed to study the effect of point defects on the optical and morphological characteristics of zinc selenide-zinc sulfide ZnSe-ZnS (ZnSexS(1-x)) solid solution crystals grown under terrestrial (1-g) condition. We used the composition ZnSe0.91S0.09 and ZnSe0.73S0.27 for the detailed studies. Crystals of 8 mm and 12 mm diameter were grown using physical vapor transport methods. These crystals did not exhibit gross defects such as voids, bubbles or precipitates. The photoluminescence spectra indicated strong red emission for the 610-630-nm wavelength region in both crystals. This emission could be explained on the basis of high energy irradiation of Zn selenide. For the ZnSe0.73S0.27 crystal, absorption starts at a lower wavelength range (300 nm) when compared to the ZnSe0.91S0.09 crystal presumably due to the much higher bandgap of ZnS than that of ZnSe. Sharp peaks at 451 and 455 nm were observed for both samples corresponding to the band edge transitions, followed by a strong peak at 632 nm. These results were consistent with the observations based on Raman spectroscopy studies. Under 532-nm laser illumination both transverse optical (TO) and longitudinal optical (LO) phonon peaks appeared at Raman shifts of 220 and 280 Δcm-1, respectively. These peaks are similar to those observed for pure ZnSe Raman spectra for which TO and LO occur at 200 and 250 Δcm-1 for the x-axis (first order) polarization.

  18. 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)

  19. Solid solution or amorphous phase formation in TiZr-based ternary to quinternary multi-principal-element films

    Institute of Scientific and Technical Information of China (English)

    Mariana Braic; Viorel Braic; Alina Vladescu; Catalin N. Zoita; Mihai Balaceanu

    2014-01-01

    TiZr-based multicomponent metallic films composed of 3-5 constituents with almost equal atomic concentrations were prepared by co-sputtering of pure metallic targets in an Ar atmosphere. X-ray diffraction was employed to determine phase composition, crystalline structure, lattice parameters, texture and crystallite size of the deposited films. The deposited films exhibited only solid solution (fcc, bcc or hcp) or amorphous phases, no intermetallic components being detected. It was found that the hcp structure was stabilized by the presence of Hf or Y, bcc by Nb or Al and fcc by Cu. For the investigated films, the atomic size difference, mixing enthalpy, mixing entropy, Gibbs free energy of mixing and the electronegativity difference for solid solution and amorphous phases were calculated based on Miedema's approach of the regular solution model. It was shown that the atomic size difference and the ratio between the Gibbs free energies of mixing of the solid solution and amorphous phases were the most significant parameters controlling the film crystallinity.

  20. 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.

  1. 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

  2. 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.

  3. 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.

  4. High-temperature thermoelectric properties of the β-As2-xBixTe3 solid solution

    Science.gov (United States)

    Vaney, J.-B.; Delaizir, G.; Piarristeguy, A.; Monnier, J.; Alleno, E.; Lopes, E. B.; Gonçalves, A. P.; Pradel, A.; Dauscher, A.; Candolfi, C.; Lenoir, B.

    2016-10-01

    Bi2Te3-based compounds are a well-known class of outstanding thermoelectric materials. β-As2Te3, another member of this family, exhibits promising thermoelectric properties around 400 K when appropriately doped. Herein, we investigate the high-temperature thermoelectric properties of the β-As2-xBixTe3 solid solution. Powder X-ray diffraction and scanning electron microscopy experiments showed that a solid solution only exists up to x = 0.035. We found that substituting Bi for As has a beneficial influence on the thermopower, which, combined with extremely low thermal conductivity values, results in a maximum ZT value of 0.7 at 423 K for x = 0.017 perpendicular to the pressing direction.

  5. 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

  6. 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.

  7. 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

    2010-01-01

    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)....

  8. Determination of trace elements in lithium niobate crystals by solid sampling and solution-based spectrometry methods

    Energy Technology Data Exchange (ETDEWEB)

    Bencs, Laszlo, E-mail: bencs.laszlo@wigner.mta.hu [Institute for Solid State Physics and Optics, Wigner Research Centre for Physics, Hungarian Academy of Sciences, P.O. Box 49, H-1525 Budapest (Hungary); Gyoergy, Krisztina; Kardos, Marta [Institute for Solid State Physics and Optics, Wigner Research Centre for Physics, Hungarian Academy of Sciences, P.O. Box 49, H-1525 Budapest (Hungary); Osan, Janos; Alfoeldy, Balint [Institute for Atomic Energy Research, Centre for Energy Research, Hungarian Academy of Sciences, P.O. Box 49, H-1525 Budapest (Hungary); Varga, Imre [Department of Analytical Chemistry, Institute of Chemistry, Lorand Eoetvoes University, P.O. Box 32, H-1518 Budapest (Hungary); Ajtony, Zsolt [Institute of Food Science, University of West Hungary, H-9200 Mosonmagyarovar, Lucsony u. 15-17 (Hungary); Szoboszlai, Norbert [Department of Analytical Chemistry, Institute of Chemistry, Lorand Eoetvoes University, P.O. Box 32, H-1518 Budapest (Hungary); Stefanka, Zsolt [Institute for Isotope Research, Centre for Energy Research, Hungarian Academy of Sciences, P.O. Box 49, H-1525 Budapest (Hungary); Hungarian Atomic Energy Authority, H-1136 Budapest, Fenyes Adolf u. 4 (Hungary); Szeles, Eva [Institute for Isotope Research, Centre for Energy Research, Hungarian Academy of Sciences, P.O. Box 49, H-1525 Budapest (Hungary); Kovacs, Laszlo [Institute for Solid State Physics and Optics, Wigner Research Centre for Physics, Hungarian Academy of Sciences, P.O. Box 49, H-1525 Budapest (Hungary)

    2012-05-13

    Highlights: Black-Right-Pointing-Pointer Solid sampling GFAAS was studied for Cr, Fe and Mn determination in lithium niobate. Black-Right-Pointing-Pointer Solution based GFAAS, FAAS, ICP-OES and ICP-MS were elaborated for method validation. Black-Right-Pointing-Pointer The performances of the elaborated spectrochemical methods have been compared. Black-Right-Pointing-Pointer The chemical forms of the matrix produced in GFAAS cycles were studied by XANES. - Abstract: Solid sampling (SS) graphite furnace atomic absorption spectrometry (GFAAS) and solution-based (SB) methods of GFAAS, flame atomic absorption spectrometry (FAAS), inductively coupled plasma optical emission spectrometry (ICP-OES) and inductively coupled plasma mass spectrometry (ICP-MS) were elaborated and/or optimized for the determination of Cr, Fe and Mn trace elements used as dopants in lithium niobate optical crystals. The calibration of the SS-GFAAS analysis was possible with the application of the three-point-estimation standard addition method, while the SB methods were mostly calibrated against matrix-matched and/or acidic standards. Spectral and non-spectral interferences were studied in SB-GFAAS after digestion of the samples. The SS-GFAAS method required the use of less sensitive spectral lines of the analytes and a higher internal furnace gas (Ar) flow rate to decrease the sensitivity for crystal samples of higher (doped) analyte content. The chemical forms of the matrix produced at various stages of the graphite furnace heating cycle, dispensed either as a solid sample or a solution (after digestion), were studied by means of the X-ray near-edge absorption structure (XANES). These results revealed that the solid matrix vaporized/deposited in the graphite furnace is mostly present in the metallic form, while the dry residue from the solution form mostly vaporized/deposited as the oxide of niobium.

  9. 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.

  10. 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)

  11. 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.

  12. 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

  13. 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

  14. 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...

  15. 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.

  16. 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

  17. Determination of trace elements in lithium niobate crystals by solid sampling and solution-based spectrometry methods.

    Science.gov (United States)

    Bencs, László; György, Krisztina; Kardos, Márta; Osán, János; Alföldy, Bálint; Varga, Imre; Ajtony, Zsolt; Szoboszlai, Norbert; Stefánka, Zsolt; Széles, Eva; Kovács, László

    2012-05-13

    Solid sampling (SS) graphite furnace atomic absorption spectrometry (GFAAS) and solution-based (SB) methods of GFAAS, flame atomic absorption spectrometry (FAAS), inductively coupled plasma optical emission spectrometry (ICP-OES) and inductively coupled plasma mass spectrometry (ICP-MS) were elaborated and/or optimized for the determination of Cr, Fe and Mn trace elements used as dopants in lithium niobate optical crystals. The calibration of the SS-GFAAS analysis was possible with the application of the three-point-estimation standard addition method, while the SB methods were mostly calibrated against matrix-matched and/or acidic standards. Spectral and non-spectral interferences were studied in SB-GFAAS after digestion of the samples. The SS-GFAAS method required the use of less sensitive spectral lines of the analytes and a higher internal furnace gas (Ar) flow rate to decrease the sensitivity for crystal samples of higher (doped) analyte content. The chemical forms of the matrix produced at various stages of the graphite furnace heating cycle, dispensed either as a solid sample or a solution (after digestion), were studied by means of the X-ray near-edge absorption structure (XANES). These results revealed that the solid matrix vaporized/deposited in the graphite furnace is mostly present in the metallic form, while the dry residue from the solution form mostly vaporized/deposited as the oxide of niobium. PMID:22541007

  18. Solid solutions and phase transitions in langbeinites (I): M+2Mn 2(SO 4) 3 ( M+ = K, NH 4, Tl)

    Science.gov (United States)

    Sarrión, M. L. Martinez; Clemente, A. Rodríquez; Vila, L. Mestres

    1989-06-01

    Solid solutions of general formula K x(NH 4) 2- xMn 2(SO 4) 3 (0 yTl 2- yMn 2(SO 4) 3 (0 < y < 2) have been prepared. All of the phases within the composition range studied have been established, and their cubic symmetry at room temperature has been confirmed. The cell parameters for each member of the solid solutions have been determined. The substitution has been found to be homogeneous. Differential scanning calorimetry experiments of solid solution with x = 2.00, 1.81, and 1.49, and y = 2.00 and 1.79 have been carried out in order to study the transition mechanism in the ferroelastic langbeinite K 2Mn 2(SO 4) 3. The Tc for the phase transition P2 13- P2 12 12 1 is -75.9°C. The mixed crystals of NH +4 show phase transition up to 10% substitution, with a decrease in both Tc and ΔH. On the other hand, the phase transition disappears in the mixed crystals of Tl +. The size of the M+ ion plays an important role in the phase transition.

  19. 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.

  20. 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.

  1. 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.

  2. Investigation of Phase Mixing in Amorphous Solid Dispersions of AMG 517 in HPMC-AS Using DSC, Solid-State NMR, and Solution Calorimetry.

    Science.gov (United States)

    Calahan, Julie L; Azali, Stephanie C; Munson, Eric J; Nagapudi, Karthik

    2015-11-01

    Intimate phase mixing between the drug and the polymer is considered a prerequisite to achieve good physical stability for amorphous solid dispersions. In this article, spray dried amorphous dispersions (ASDs) of AMG 517 and HPMC-as were studied by differential scanning calorimetry (DSC), solid-state NMR (SSNMR), and solution calorimetry. DSC analysis showed a weakly asymmetric (ΔTg ≈ 13.5) system with a single glass transition for blends of different compositions indicating phase mixing. The Tg-composition data was modeled using the BKCV equation to accommodate the observed negative deviation from ideality. Proton spin-lattice relaxation times in the laboratory and rotating frames ((1)H T1 and T1ρ), as measured by SSNMR, were consistent with the observation that the components of the dispersion were in intimate contact over a 10-20 nm length scale. Based on the heat of mixing calculated from solution calorimetry and the entropy of mixing calculated from the Flory-Huggins theory, the free energy of mixing was calculated. The free energy of mixing was found to be positive for all ASDs, indicating that the drug and polymer are thermodynamically predisposed to phase separation at 25 °C. This suggests that miscibility measured by DSC and SSNMR is achieved kinetically as the result of intimate mixing between drug and polymer during the spray drying process. This kinetic phase mixing is responsible for the physical stability of the ASD.

  3. 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

  4. Structural, Electronic, and Optical Properties of BiOX1-xYx (X, Y = F, Cl, Br, and I) Solid Solutions from DFT Calculations.

    Science.gov (United States)

    Zhao, Zong-Yan; Liu, Qing-Lu; Dai, Wen-Wu

    2016-01-01

    Six BiOX1-xYx (X, Y = F, Cl, Br, and I) solid solutions have been systematically investigated by density functional theory calculations. BiOCl1-xBrx, BiOBr1-xIx, and BiOCl1-xIx solid solutions have very small bowing parameters; as such, some of their properties increase almost linearly with increasing x. For BiOF1-xYx solid solutions, the bowing parameters are very large and it is extremely difficult to fit the related calculated data by a single equation. Consequently, BiOX1-xYx (X, Y = Cl, Br, and I) solid solutions are highly miscible, while BiOF1-xYx (Y = Cl, Br, and I) solid solutions are partially miscible. In other words, BiOF1-xYx solid solutions have miscibility gaps or high miscibility temperature, resulting in phase separation and F/Y inhomogeneity. Comparison and analysis of the calculated results and the related physical-chemical properties with different halogen compositions indicates that the parameters of BiOX1-xYx solid solutions are determined by the differences of the physical-chemical properties of the two halogen compositions. In this way, the large deviation of some BiOX1-xYx solid solutions from Vegard's law observed in experiments can be explained. Moreover, the composition ratio of BiOX1-xYx solid solutions can be measured or monitored using optical measurements.

  5. 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.

  6. 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.

  7. 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.

  8. Crystal structure and negative thermal expansion properties of solid solution Er_2W_(3-x)Mo_xO_(12)

    Institute of Scientific and Technical Information of China (English)

    PENG Jie; LIU Xin-zhi; GUO Fu-li; HAN Song-bai; LIU Yun-tao; CHEN Dong-feng; ZHAO Xin-hua; HU Zhong-bo

    2009-01-01

    A series of solid solutions Er_2W_(3-x)Mo_xO_(12) (0.5≤x≤2.5) were successfully synthesized by the solid state method.Their crystal structures and negative thermal expansion properties were studied by high temperature X-ray powder diffraction and the Rietveld method.All samples with rare earth tungstates and molybdates crystallize in the same orthorhombic structure with space group Pnca,and show the negative thermal expansion phenomena related to transverse vibration of bridging oxygen atoms in the structure.Thermal expansion coefficients (TECs) of Er_2W_(3-x)Mo_xO_(12) were determined as -16.2×10~(-6) K~(-1) for x=0.5 and -16.5×10~(-6) K~(-1) for x=2.5 while -20.2×10~(-6) K~(-1) and -18.4×10~(-6) K~(-1) for unsubstituted Er_2W_3O_(12) and Er_2Mo_3O_(12) in the identical temperature range of 200-800 ℃.High temperature XRD data and bond length analysis suggest that the difference between W-O and Mo-O is responsible for the change of TECs after the element substitution in the series of solid solutions.

  9. 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.

  10. 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

  11. Solid-, solution-, and gas-state NMR monitoring of ¹³C-cellulose degradation in an anaerobic microbial ecosystem.

    Science.gov (United States)

    Yamazawa, Akira; Iikura, Tomohiro; Shino, Amiu; Date, Yasuhiro; Kikuchi, Jun

    2013-07-29

    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.

  12. 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.

  13. 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.

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

    Science.gov (United States)

    D'Angelo, Paola; Migliorati, Valentina; Spezia, Riccardo; De Panfilis, Simone; Persson, Ingmar; Zitolo, Andrea

    2013-06-14

    The potential of high energy XANES (X-ray absorption near edge structure) as a tool for the structural analysis of lanthanoid-containing systems has been explored. The K-edge XANES spectra of La(3+), Gd(3+), and Lu(3+) 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 of 38 (La) to 65 (Lu) keV, the large widths of the core hole states do not appreciably reduce the potential structural information of the XANES data. We show that, for lanthanoid compounds, accurate structural parameters are obtained from the analysis of K-edge XANES signals if a deconvolution procedure is carried out. We found that in solid octakis(DMSO)lanthanoid(III) iodides the Ln(3+) ions are coordinated by eight DMSO ligands arranged in a quite symmetric fashion. In DMSO solution the Ln(3+) ions retain a regular eight-coordination structure and the coordination number does not change along the series. In contrast to when in water the second coordination shell has been found to provide a negligible contribution to the XANES spectra of Ln(3+) ions in DMSO solution.

  15. 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.

  16. Analytical solutions for non-linear conversion of a porous solid particle in a gas–II. Non-isothermal conversion and numerical verification

    NARCIS (Netherlands)

    Brem, G.; Brouwers, J.J.H.

    1990-01-01

    In Part I, analytical solutions were given for the non-linear isothermal heterogeneous conversion of a porous solid particle. Account was taken of a reaction rate of general order with respect to the gas reactant, intrinsic reaction surface area and effective pore diffusion, which change with solid

  17. 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

  18. 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.

  19. 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

  20. 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. ...

  1. 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.

  2. 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.

  3. 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.

  4. Analytical solutions for dynamic pressures of coupling fluid-solid-porous medium due to P wave incidence

    Institute of Scientific and Technical Information of China (English)

    王进廷; 张楚汉; 金峰

    2004-01-01

    Wave reflection and refraction in layered media is a topic closely related to seismology, acoustics, geophysics and earthquake engineering. Analytical solutions for wave reflection and refraction coefficients in multi-layered media subjected to P wave incidence from the elastic half-space are derived in terms of displacement potentials. The system is composed of ideal fluid, porous medium, and underlying elastic solid. By numerical examples, the effects of porous medium and the incident wave angle on the dynamic pressures of ideal fluid are analyzed. The results show that the existence of the porous medium, especially in the partially saturated case, may significantly affect the dynamic pressures of the overlying fluid.

  5. 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.

  6. 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.

  7. 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

  8. 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.

  9. 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.

  10. 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.

  11. Collagen functionalized with unsaturated cyclic anhydrides-interactions in solution and solid state.

    Science.gov (United States)

    Potorac, S; Popa, M; Picton, L; Dulong, V; Verestiuc, L; Le Cerf, D

    2014-03-01

    Maleic anhydride (CMA) and itaconic anhydride modified collagen (CITA) were prepared as precursors for production of interpenetrated polymer networks (IPN). Calculated values for Huggins coefficient in aqueous diluted and semi-diluted solutions of modified collagen indicated a slightly tendency of aggregation for itaconic anhydride-modified collagen. In semi-diluted solution collagen (Coll) and CMA present slightly differences in the thixotropic behavior, while CITA has a pronounced thixotropic behavior. Flow and oscillatory measurements revealed an elastic behavior of the collagen solutions, pure and modified with MA or ITA, as the storage modulus (G') has always a superior value compared with the loss modulus (G″). The denaturation temperature (Td) of unmodified collagen increased from 34°C to 40°C for CMA and to 39°C for CITA respectively, by formation of covalent bonds that stabilize the triple helix. PMID:23784667

  12. 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)

  13. 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.

  14. 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.

  15. 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.

  16. Synthesis of Pyridine– and Pyrazine–BF 3 Complexes and Their Characterization in Solution and Solid State

    Energy Technology Data Exchange (ETDEWEB)

    Chénard, Etienne; Sutrisno, Andre; Zhu, Lingyang; Assary, Rajeev S.; Kowalski, Jeffrey A.; Barton, John L.; Bertke, Jeffery A.; Gray, Danielle L.; Brushett, Fikile R.; Curtiss, Larry A.; Moore, Jeffrey S.

    2016-03-31

    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.

  17. 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

  18. 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

  19. Spectroscopic properties of {Cr}^{3+} in the spinel solid solution {ZnAl}_{2-x}{Cr}x{O}_4

    Science.gov (United States)

    Verger, Louisiane; Dargaud, Olivier; Rousse, Gwenaelle; Rozsályi, Emese; Juhin, Amélie; Cabaret, Delphine; Cotte, Marine; Glatzel, Pieter; Cormier, Laurent

    2016-01-01

    The evolution of the structural environment of {Cr}{^{3+}} along the solid solution {ZnAl}_{2-x}{Cr}x{O}_4 has been investigated using a multi-analytical approach. X-ray diffraction confirms that the system follows Vegard's law. Diffuse reflectance spectra show a decrease of the crystal field parameter with the Cr content, usually related to the increase of the Cr-O bond length in a point charge model. This interpretation is discussed and compared to the data obtained by first-principle calculations based on density functional theory. X-ray absorption near edge structure spectra at the Cr K-edge show a pronounced evolution in the pre-edge with the Cr content, characterised by the appearance of a third feature. Calculations enable to assign the origin of this feature to Cr neighbours. The colour change from pink to brownish pink and eventually green along the solid solution has also been quantified by calculating the L*, a*, b* and x, y coefficients in the system defined by the International Commission on Illumination.

  20. 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

  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. Experimental determination of interfacial energies for Ag2A1 solid solution in the CuAl2-Ag2Al system

    Institute of Scientific and Technical Information of China (English)

    Ocak Y; Akbulut S; Keslio(g)lu K; Mara(s)ll N; (C)adlrll E; Kaya H

    2009-01-01

    The equilibrated grain boundary groove shapes of solid solution Ag2Al in equilibrium with an Al-Cu-Ag liquid were observed from a quenched sample with a radial heat flow apparatus. The Gibbs-Thomson coefficient,solid-liquid interfacial energy and grain boundary energy of the solid solution Ag2Al have been determined from the observed grain boundary groove shapes. The thermal conductivity of the solid phase and the thermal conductivity ratio of the liquid phase to solid phase for Ag2Al-28.3 at the %CuAl2 alloy at the melting temperature have also been measured with a radial heat flow apparatus and Bridgman type growth apparatus,separately.

  3. Structural and Thermodynamic Properties of TiC x N y O z Solid Solution: Experimental Study and First-Principles Approaches

    Science.gov (United States)

    Xiao, Jiusan; Jiang, Bo; Huang, Kai; Jiao, Shuqiang; Zhu, Hongmin

    2016-09-01

    A series of TiC x N y O z solid solutions were synthesized via solid-state reaction and XRD patterns exhibited a single phase of FCC structure over the whole concentration range. The structural and thermodynamic properties of TiC x N y O z solid solutions were studied using experimental method and first-principles calculations. The difference between the calculated and experimental lattice parameters could be attributed to the vacancies segregated in TiO part. The fitting formulae for lattice parameters and mixing enthalpies were firstly given for TiC x N y O z solid solution over the whole concentration range. The obtained thermodynamic data for TiC x N y O z solid solution properly explained the reaction sequence of the carbothermal reduction of TiO2, providing theoretical foundation for TiC x N y O z solid solution as a kind of prospective material for consuming anode utilized in USTB titanium electrolysis process.

  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. 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.

  7. Role of WC additive on reaction, solid-solution and densification in HfB2–SiC ceramics

    DEFF Research Database (Denmark)

    Hu, Dong-Li; Zheng, Qiang; Gu, Hui;

    2014-01-01

    medium, the WB phase was suppressed to the trace level while the W solid-solution in HfB2 phase was favored. The W solution in both the primary HfB2 and resultant HfC phases indicates that the WC additive was involved throughout the sintering process by dissolving into sintering liquid, which remains...

  8. 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)

  9. 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

  10. 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.

  11. 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.

  12. A Solid Ag Film Deposited from Solution on Self-assembled Mercaptopropyltrimethoxysilane (MPTS) Monolayer

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    Mercaptopropyltrimethoxysilane (MPTS) bearing mercapto groups was used to form self-assembly monolayers (SAMs) on glass substrates by solution extraction. SEM, XRD and rubbing test analysis illustrated that the Ag film on the SAMs-modified glass was more durable than that on the commonly-modified glass and that the crystallinity of Ag film on the SAMs-modified glass was identical with those of the Ag film on the commonly-modified glass and pure Ag.

  13. Modal solutions in stratified multi-layered fluid-solid half-space

    Institute of Scientific and Technical Information of China (English)

    陈蔚天; 陈晓非

    2002-01-01

    A new systematic and efficient algorithm to calculate the modal solutions of multi-lay- ered ocean-Earth model is presented. Our algorithm distinguishes itself as terseness of formulation, efficiency in numerical computation, and stableness at high frequencies, thus, thoroughly solving the problem of loss-of-precision at high frequencies. This new algorithm is expected to be very useful in studying the surface waves propagating in ocean-Earth model and other related topics.

  14. 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.

  15. 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.

  16. 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.

  17. 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

  18. 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

  19. 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.

  20. Miscibility Studies of Hydroxypropyl Cellulose/Poly(Ethylene Glycol in Dilute Solutions and Solid State

    Directory of Open Access Journals (Sweden)

    K. Sudharsan Reddy

    2012-01-01

    Full Text Available The miscibility of Hydroxypropyl cellulose (HPC/poly(ethylene glycol (PEG blends over an extended range of concentrations in water. The viscosity, ultrasonic velocity, and refractive index of the above blend solutions have been measured at 30°C. The interaction parameters such as and μ proposed by Chee and α proposed by Sun have been obtained using the viscosity data to probe the miscibility of the polymer blends. The values indicated that the blends were miscible when HPC content is more than 40% in the blend. The obtained results have been confirmed by the ultrasonic velocity and refractive index studies. The films of the blends were prepared by solution casting method using water as a solvent. The prepared films have been characterized by analytical techniques such as FTIR, DSC, X-RD, and SEM to probe the miscibility of HPC/PEG blends. The compatibility in the above compositions may be due to the formation of H-bonding between hydroxyl groups of HPC and etheric oxygen atom of PEG molecules.

  1. Simulation of the local structure, properties of mixing, and stability of solid solutions Ba x Sr1- x CO3 by the interatomic potential method

    Science.gov (United States)

    Dudnikova, V. B.; Eremin, N. N.

    2016-06-01

    The strontianite (SrCO3)-witherite (BaCO3) solid solutions have been simulated using the interatomic potential method. The dependences of the unit cell parameters, the unit cell volume, and the bulk modulus on the composition of the solid solution have been constructed. It has been shown that the unit cell volume and the bulk modulus exhibit negative deviations from the additivity. An analysis of the local structure of the solid solutions has been carried out. It has been found that, for the equimolar composition of the Ba x Sr1- x CO3 solid solution, the relaxations of the barium and strontium positions are equal to 60 and 56%, respectively. It has been established that the enthalpy of mixing is positive and, for the equimolar composition of the solid solution, reaches a maximum value of 3.4 kJ/mol. The obtained results have been compared with the experimental data. The solvus of the Ba x Sr1- x CO3 system has been constructed based on the dependences of the Gibbs free energy on the composition in the temperature range from 300 to 1000 K.

  2. 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.

  3. 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.

  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. Separation in liquid and the formation of supersaturated solid solutions in Fe-Cu alloys upon rapid laser melting

    Science.gov (United States)

    Kharanzhevskiy, E. V.

    2016-09-01

    The structure of compacted specimens produced using the rapid laser melting of ultradispersed Fe-50 wt % Cu powders has been studied. The original powder was produced via the mechanical milling of iron and copper powders in a planetary-type ball mill. It has been found that the structure of the compacted specimens produced using rapid laser melting exhibits signs of the initial stages of separation in supercooled liquid. It has been shown using X-ray diffraction analysis as well as scanning and transmission electron microscopy that the final structure contains a supersaturated (Fe; Cu) solid solution formed from the high-speed movement of the solidification front and the nonequilibrium capture of copper by the moving front.

  6. 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.

  7. 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

  8. 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)

  9. 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

  10. Conformational Transformation Exhibited by the Peptide Extracted from Crystalline Region of Bombyx mori Silk Fibroin in Solid and Solution States

    Institute of Scientific and Technical Information of China (English)

    YAO Ju-Ming; ZHANG Guo-Qing; LEI Cai-Hong

    2006-01-01

    The conformational transformation of a 30-residue peptide H(Ala-Gly-Ser-Gly-Ala-Gly)5OH, i.e., (AGSGAG)5,extracted from highly crystalline region of Bombyx mori (B. mori) silk fibroin was described by using the high resolution solid state 13C NMR, and CD spectroscopies. Based on the conformation-dependent 13C NMR chemical shifts of the Ala, Gly and Ser residues and the line-shape analysis of the conformation sensitive Ala Cβ resonance,the peptide revealed a strong preference for silk Ⅱ structural form, i.e., an antiparallel β-sheet structure (φ=-140±20° and ψ= 135±20°) in solid state. On the contrary, the CD spectra of this peptide in the two non-native hexafluorinated fibre spinning solvents, hexafluoroisopropanol (HFIP) and hexafluoroacetone (HFA), exhibited the existence of an unusual tightly-folded conformation resembling 310-helix (φ=-60±20° and ψ=- 30 ± 20°), as judged from the R ratio of [θ]222/[θ]203 in HFIP solution, whereas a dynamically averaged unordered structure in HFA. Taken together, the information inclined to hypothesis that the primary structure of the highly crystalline regions of B. mori silk fibroin may be easily accessible to the large conformational changes, which in turn may be critical for facilitating the structural transformation from unprocessed silk fibroin (silk Ⅰ form) to processed silk fiber (silk Ⅱ form).

  11. 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

  12. 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)

  13. Solid nanoarchitecture--Cu(II) solution: dynamics of the chemical communication.

    Science.gov (United States)

    Millesi, Salvatrice; Maccarrone, Giuseppe; Gulino, Antonino

    2015-03-01

    Molecular monolayers and similar nanoarchitectures represent a promising future of the nanotechnology. Many of these systems behave as stimuli responsive materials since they undergo readable changes upon external stimuli. Therefore, chemical communication between these systems and the surrounding environment is a field extremely important. In the present study we explored by optical read-out the chemical communication between a porphyrin monolayer covalently bound to a quartz substrate (hardware) and copper(II) ions (stimulus). Different physical states can be safely distinguished since the intensity of the Soret band (output) associated with a calculated distribution diagram provided the degree of porphyrin complexation and, therefore, of the state of the optically active system as a result of a solution mediated interfacial communication. PMID:25660270

  14. 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.

  15. 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

  16. 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%.

  17. 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.

  18. 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.

  19. 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

  20. Solid and Solution Structural Studies of Dimeric and Tetrameric Molybdenum(Ⅵ) Malate Complexes

    Institute of Scientific and Technical Information of China (English)

    ZHANG Rong-Hua; ZHOU Zhao-Hui; WAN Hui-Lin

    2008-01-01

    Reactions of potassium molybdate with racemic malic acid (H3mal = C4H6O5) result in the isolation of two mesomeric molybdenum malate complexes Ks[(MoO2)2O(R-mal)2][(MoO2)2O(S- mal)2]·4H2O 1 and (Him)2K6[(MoO2)4O3(R-mal)2][(MoO2)4O3(S-mal)2]·8H2O 2. Complex 1 belongs to the monoclinic system, space group C2/c with a = 14.8637(3), b = 6.9544(1), c = 19.6783(5) A, β = 100.081(2)°, V= 2002.70(7)A3, Mr = 1452.88, Z= 2, F(000) = 1416, T= 173 K, Dc = 2.409 g/cm3, μ(MoKa) = 2.167, R = 0.0283 and wR = 0.0733.2 is of triclinic system, space group P1 with a = 8.7707(2), b = 9.3310(3), c = 17.9093(7) A, α = 83.781(3), β = 85.626(2), γ= 84.822(2)°, V = 1447.84(8) A3, Mr = 2160.68, Z = 1, F(000) = 1048, T= 173 K, Dc = 2.478 g/cm3, μ(MoKα) = 2.230, R = 0.0234 and wR = 0.0584.1 is the first isolated dinuclear molybdenum(Ⅵ) malato complex in 1:1 molar ratio. The molybdenum atoms in the two complexes are six-coordinated in an approximately octahedral geometry. Two malates coordinate tridentately with the Mo atom via their α-alkoxy, α-carboxy and α-carboxy groups in 1 and 2. β-Carboxy group in 2 further links with the other two Mo atoms to give a tetrameric unit. The solution 1H and 13C NMR spectra indicate that dimeric malate molybdenum in 1 dissociates partly in solution and exists in an equilibrium with tetrameric species, while 2 is stable and retains its tetrameric structure without any dissociation.

  1. Structural and Optical Investigations of Heterostructures Based on AlxGa1-xAsyP1-y:Si Solid Solutions Obtained by MOCVD

    Directory of Open Access Journals (Sweden)

    P. V. Seredin

    2014-01-01

    Full Text Available We investigated MOCVD epitaxial heterostructures based on AlxGa1−xAs ternary solid solutions, obtained in the range of compositions x~0.20–0.50 and doped with high concentrations of phosphorus and silicon atoms. Using the methods of high-resolution X-ray diffraction, scanning electron microscopy, X-ray microanalysis, Raman spectroscopy, and photoluminescence spectroscopy we have shown that grown epitaxial films represent five-component (AlxGa1−xAs1−yPy1−zSiz solid solutions. The implementation of silicon in solid solution with a concentration of ~ 0.01 at.% leads to the formation of the structure with deep levels, DX centers, the occurrence of which fundamentally affects the energy characteristics of received materials.

  2. 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)

  3. 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

  4. 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

  5. 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)

  6. 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

  7. 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.

  8. 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

    2016-02-14

    (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 {10̄10} to semipolar {10̄11} and then finally to mixed {10̄1} and polar {000̄1} 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.

  9. (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.

  10. 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.

  11. 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.

  12. 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.

  13. Effects of cooling rate on solidification behavior of dilute Al-Sc and Al-Sc-Zr solid solution

    Institute of Scientific and Technical Information of China (English)

    金头男; 聂祚仁; 徐国富; 阮海琼; 杨军军; 付静波; 左铁镛

    2004-01-01

    Six alloys with different compositions of Al-0.1%Sc, Al-0.3%Sc, Al-0.3%Zr, Al-0.1% Sc-0. 1%Zr,Al-0.3%Sc-0.1%Zr and Al-0.3%Sc-0.3%Zr were prepared by casting in a wedge shaped copper mould. The hardness test, microstructure observation, and DSC thermal analysis were applied to fully investigate the solidification behavior of the wedge tip (whose cooling rate is 1 000 K/s) and the top surface (cooling rate 100 K/s) of each casting. The results show that the cast structures in the hypoeutectic region of Al-Sc alloys are slightly affected by cooling rates during the solidification. In the case of hypereutectic alloy of Al-0.3%Sc-0.3%Zr , the cast grains were remarkably refined under the condition of a 100 K/s cooling rate, however, under a 1 000 K/s cooling rate condition,solute atoms contribute nothing to the grain-refinement, due to the eutectic concentration becomes higher. The hardness can be improved to a greater degree by Sc single addition, compared to single Zr addition, but it can be improved even greater when Sc added together with Zr. It is sensitive to cooling rate, the higher the cooling rate, the greater the hardness. By combining the results of TEM examination and DSC analysis, it can be seen that a supersaturated Al solid solution forms during the solidification, and the solubility of Sc in Al solution can be improved by increasing the cooling rate.

  14. Structure Elucidation of Poly-Faldaprevir: Polymer Backbone Solved Using Solid-State and Solution Nuclear Magnetic Resonance Spectroscopy.

    Science.gov (United States)

    Gonnella, Nina C; Busacca, Carl A; Zhang, Li; Saha, Anjan; Wu, Jiang-Ping; Li, Guisheng; Davis, Mark; Offerdahl, Thomas; Jones, Paul-James; Herfurth, Lars; Reddig, Tim; Wagner, Klaus; Niemann, Michael; Werthmann, Ulrike; Grupe, Julia; Roos, Helmut; Reckzügel, Gaby; Ding, Andreas

    2016-06-01

    A large-scale synthesis of the hepatitis C virus drug Faldaprevir revealed precipitation of an unknown insoluble solid from methanol solutions of the drug substance. The unknown impurity was determined to be a polymer of Faldaprevir based on analytical methods that included size exclusion chromatography in combination with electrospray ionization mass spectrometry, solution nuclear magnetic resonance (NMR), matrix-assisted laser desorption ionization-time of flight, ultracentrifugation, elemental analysis, and sodium quantitation by atom absorption spectroscopy. Structure elucidation of the polymeric backbone was achieved using solid-state NMR cross-polarization/magic angle spinning (CP/MAS), cross polarization-polarization inversion, and heteronuclear correlation (HETCOR) experiments. The polymerization was found to occur at the vinyl cyclopropane via a likely free radical initiation mechanism. Full proton and carbon chemical shift assignments of the polymer were obtained using solution NMR spectroscopy. The polymer structure was corroborated with chemical synthesis of the polymer and solution NMR analysis. PMID:27238486

  15. Interstitial solid solution Hf{sub 5}Ga{sub x}Sn{sub 3} (x = 0-1)

    Energy Technology Data Exchange (ETDEWEB)

    Voznyak, I., E-mail: iravoznyak@gmail.com [Department of Inorganic Chemistry, Ivan Franko National University of Lviv, Kyryla i Mefodiya St. 6, 79005 Lviv (Ukraine); Tokaychuk, Ya. [Department of Inorganic Chemistry, Ivan Franko National University of Lviv, Kyryla i Mefodiya St. 6, 79005 Lviv (Ukraine); Hlukhyy, V.; Faessler, T.F. [Department of Chemistry, Technische Universitaet Muenchen, Lichtenbergstr. 4, 85747 Garching (Germany); Gladyshevskii, R. [Department of Inorganic Chemistry, Ivan Franko National University of Lviv, Kyryla i Mefodiya St. 6, 79005 Lviv (Ukraine)

    2012-01-25

    Highlights: Black-Right-Pointing-Pointer Formation of an interstitial solid solution Hf{sub 5}Ga{sub x}Sn{sub 3} (x = 0-1) based on the binary compound Hf{sub 5}Sn{sub 3} was established at 600 Degree-Sign C. Black-Right-Pointing-Pointer The Ga atoms occupy [Hf{sub 6}] octahedral interstices (Wyckoff position 2b) up to the composition Hf{sub 5}GaSn{sub 3}, which represents a Hf{sub 5}CuSn{sub 3}-type structure (ordered derivative of Ti{sub 5}Ga{sub 4}). Black-Right-Pointing-Pointer The cell parameters and cell volume increase with increasing gallium content. Black-Right-Pointing-Pointer The coordination number of the hafnium atoms in Wyckoff position 6g is reduced from 15 (Hf1Sn{sub 5}Hf{sub 10} for Hf{sub 5}Sn{sub 3}) to 11 (Hf1Sn{sub 5}Ga{sub 2}Hf{sub 4} for Hf{sub 5}GaSn{sub 3}). - Abstract: Formation of an interstitial solid solution Hf{sub 5}Ga{sub x}Sn{sub 3} (x = 0-1) based on the binary compound Hf{sub 5}Sn{sub 3} (structure type Mn{sub 5}Si{sub 3}, Pearson symbol hP16, space group P6{sub 3}/mcm, a = 8.36562(6), c = 5.70775(4) Angstrom-Sign from X-ray powder diffraction) was established at 600 Degree-Sign C. The crystal structure (structure type Hf{sub 5}CuSn{sub 3}, ordered derivative of Ti{sub 5}Ga{sub 4}, hP18, P6{sub 3}/mcm) was refined on X-ray single-crystal diffraction data for three compositions: Hf{sub 5}Ga{sub 0.16(3)}Sn{sub 3} (a = 8.3288(12), c = 5.6988(11) Angstrom-Sign ), Hf{sub 5}Ga{sub 0.53(2)}Sn{sub 3} (a = 8.4205(12), c = 5.7655(12) Angstrom-Sign ) and Hf{sub 5}GaSn{sub 3} (a = 8.5564(12), c = 5.7859(12) Angstrom-Sign ). The Ga atoms occupy Wyckoff position 2b at the centres of Hf{sub 6} octahedral interstices.

  16. Organometallic complexes with biological molecules. XVIII. Alkyltin(IV) cephalexinate complexes: synthesis, solid state and solution phase investigations.

    Science.gov (United States)

    Di Stefano, R; Scopelliti, M; Pellerito, C; Casella, G; Fiore, T; Stocco, G C; Vitturi, R; Colomba, M; Ronconi, L; Sciacca, I D; Pellerito, L

    2004-03-01

    Dialkyltin(IV) and trialkyltin(IV) complexes of the deacetoxycephalo-sporin-antibiotic cephalexin [7-(d-2-amino-2-phenylacetamido)-3-methyl-3-cephem-4-carboxylic acid] (Hceph) have been synthesized and investigated both in solid and solution phase. Analytical and thermogravimetric data supported the general formula Alk(2)SnOHceph(.)H(2)O and Alk(3)Snceph(.)H(2)O (Alk=Me, n-Bu), while structural information has been gained by FT-IR, (119)Sn Mössbauer and (1)H, (13)C, (119)Sn NMR data. In particular, IR results suggested polymeric structures both for Alk(2)SnOHceph(.)H(2)O and Alk(3)Snceph(.)H(2)O. Moreover, cephalexin appears to behave as monoanionic tridentate ligand coordinating the tin(IV) atom through ester-type carboxylate, as well as through beta-lactam carbonyl oxygen atoms and the amino nitrogen donor atoms in Alk(2)SnOHceph(.)H(2)O complexes. On the basis of (119)Sn Mössbauer spectroscopy it could be inferred that tin(IV) was hexacoordinated in such complexes in the solid state, showing skew trapezoidal configuration. As far as Alk(3)Sn(IV)ceph(.)H(2)O derivatives are concerned, cephalexin coordinated the Alk(3)Sn moiety through the carboxylate acting as a bridging bidentate monoanionic group. Again, (119)Sn Mössbauer spectroscopy led us to propose a trigonal configuration around the tin(IV) atom, with R(3)Sn equatorial disposition and bridging carboxylate oxygen atoms in the axial positions. The nature of the complexes in solution state was investigated by using (1)H, (13)C and (119)Sn NMR spectroscopy. Finally, the cytotoxic activity of organotin(IV) cephalexinate derivatives has been tested using two different chromosome-staining techniques Giemsa and CMA(3), towards spermatocyte chromosomes of the mussel Brachidontes pharaonis (Mollusca: Bivalvia). Colchicinized-like mitoses (c-mitoses) on slides obtained from animals exposed to organotin(IV) cephalexinate compounds, demonstrated the high mitotic spindle-inhibiting potentiality of these chemicals

  17. Composition dependence of structure and optical properties of Cu{sub 2}ZnSn(S,Se){sub 4} solid solutions: An experimental study

    Energy Technology Data Exchange (ETDEWEB)

    He Jun [Key Laboratory of Polar Materials and Devices, Ministry of Education, East China Normal University, Shanghai 200241 (China); Sun Lin, E-mail: lsun@ee.ecnu.edu.cn [Key Laboratory of Polar Materials and Devices, Ministry of Education, East China Normal University, Shanghai 200241 (China); Chen Shiyou; Chen Ye; Yang Pingxiong; Chu Junhao [Key Laboratory of Polar Materials and Devices, Ministry of Education, East China Normal University, Shanghai 200241 (China)

    2012-01-15

    Highlights: > The CZTSSe solid solutions were synthesized by solid state reaction method. > EDX, XRD and Raman spectra confirm that the atomic Se and S are highly miscible in CZTSSe solid solutions. > The absorption spectra reveal that the band gap of CZTSSe can be tuned linearly between 0.96 and 1.5 eV. - Abstract: The evolution of structure and optical properties of Cu{sub 2}ZnSn (S{sub x}Se{sub 1-x}){sub 4} (CZTSSe) solid solutions in a wide composition range (0 {<=} x {<=} 1) has not been fully elucidated. We have performed comprehensive characterization on the CZTSSe powders with different S/Se ratios, which were synthesized by the solid state reaction method. X-ray diffraction patterns demonstrate that the lattice parameters a and c of CZTSSe decrease lineally when S replace Se gradually, which obeys the Vegard's rule. The A{sub 1} Raman modes of CZTSSe show a typical two-mode behavior. The absorption spectra reveal that the band gap of CZTSSe can be tuned monotonously between 0.96 and 1.5 eV with almost linearity, and a small band gap bowing constant (b {approx} 0.08 eV) is deduced.

  18. Structural determination of new solid solutions [Y2-x Mx ][Sn2-x Mx ]O7-3x/2 (M = Mg or Zn by Rietveld method

    Directory of Open Access Journals (Sweden)

    Mohamed Douma

    2010-12-01

    Full Text Available New [Y2-x Mx][Sn2-x Mx]O7-3x/2 (0 ≤x≤ 0.30 for M = Mg and 0 ≤x≤ 0.36 for M = Zn solid solutions with the pyrochlore structure were synthesized via high-temperature solid-state reaction method. Powder X-ray diffraction (PXRD patterns and Fourier transform infrared (FT-IR spectra showed that these materials are new non-stoichiometric solid solutions with the pyrochlore type structure. The structural parameters for the solids obtained were successfully determined by Rietveld refinement based on the analysis of the PXRD diagrams. Lattice parameter (a of these solid solutions decreases when x increases in both series. All samples obtained have the pyrochlore structure Fd-3m, no. 227 (origin at center -3m with M2+ (M = Mg2+ or Zn2+ cations in Y3+ and Sn4+ sites, thus creating vacancies in the anionic sublattice.

  19. Polymerizable gemini surfactants at solid/solution interfaces: adsorption and polymerization on melamine formaldehyde particles and capsule fabrication.

    Science.gov (United States)

    Sakai, Kenichi; Izumi, Keiko; Sakai, Hideki; Abe, Masahiko

    2010-03-15

    Organic capsules have been fabricated via three steps, by using the polymerizable gemini surfactant (1,2-bis(dimethyl(11-methacryloyloxy)undecylammonio) hexane dibromide, PC11-6-11) as a single wall component. In the first fabrication step, the surfactant spontaneously adsorbs on acid-dissolvable melamine formaldehyde (MF) particles in aqueous media. The adsorption isotherm data reveal that the adsorbed amount of PC11-6-11 (per chain) is greater than that of the corresponding monomeric surfactant ((11-methacryloyloxy)undecyltrimethylammonium bromide, PC11), resulting from the greater intermolecular association of PC11-6-11 at the solid/solution interface. The closely packed adsorbed layer of PC11-6-11 provides an opportunity to give a polymer thin film, as a result of in situ photo-polymerization on MF particles (in the second fabrication step) and subsequent acid dissolution of the core MF particles (in the third fabrication step). The dynamic light scattering (DLS) measurements have shown that the apparent hydrodynamic diameter of PC11-6-11 capsules is reversibly changed in response to a change in ionic strength: the increased background electrolyte concentration results in deswelling of the capsules, and vice versa. It seems likely that this swelling/deswelling behavior is primarily driven by the electrostatic interaction between quaternary ammonium groups within the polymerized film. We have also studied the capture and release capabilities of glucose into/from the capsule core and found that (i) glucose is encapsulated into the capsule core at high electrolyte concentrations and (ii) the glucose molecules encapsulated into the core are gradually released when the outer electrolyte solution is replaced by pure water. We believe, therefore, that the PC11-6-11 capsules fabricated here are useful as stimulus-responsive smart vehicles.

  20. 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.

  1. Solid-state and solution-state coordination chemistry of lanthanide(III) complexes with (pyrazol-1-yl)acetic acid.

    Science.gov (United States)

    Chen, Xiao-Yan; Goff, George S; Scott, Brian L; Janicke, Michael T; Runde, Wolfgang

    2013-03-18

    As a precursor of carboxyl-functionalized task-specific ionic liquids (TSILs) for f-element separations, (pyrazol-1-yl)acetic acid (L) can be deprotonated as a functionalized pyrazolate anion to coordinate with hard metal cations. However, the coordination chemistry of L with f-elements remains unexplored. We reacted L with lanthanides in aqueous solution at pH = 5 and synthesized four lanthanide complexes of general formula [Ln(L)3(H2O)2]·nH2O (1, Ln = La, n = 2; 2, Ln = Ce, n = 2; 3, Ln = Pr, n = 2; 4, Ln = Nd, n = 1). All complexes were characterized by single crystal X-ray diffraction analysis revealing one-dimensional chain formations. Two distinct crystallographic structures are governed by the different coordination modes of carboxylate groups in L: terminal bidentate and bridging tridentate (1-3); terminal bidentate, bridging bidentate, and tridentate coordination in 4. Comparison of the solid state UV-vis-NIR diffuse reflectance spectra with solution state UV-vis-NIR spectra suggests a different species in solution and solid state. The different coordination in solid state and solution was verified by distinctive (13)C NMR signals of the carboxylate groups in the solid state NMR.

  2. Novel chemistry of alpha-tosyloxy ketones: applications to the solution- and solid-phase synthesis of privileged heterocycle and enediyne libraries

    DEFF Research Database (Denmark)

    Nicolaou, K C; Montagnon, T; Ulven, T;

    2002-01-01

    New synthetic technologies for the preparation and elaboration of alpha-tosyloxy ketones in solution- and on solid-phase are described. Both olefins and ketones serve as precursors to these relatively stable chemical entities: olefins via a novel one-pot epoxidation, arylsulfonic acid displacement...

  3. 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)

  4. 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.

  5. Microstructure and properties of Ga-modified 0.7BiFeO3-0.3BaTiO3 solid solution

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Binary solid solutions 0.7Bi (GaxFe1-x)O3-0.3BaTiO3 (χ = 0, 0.025, 0.05, 0.1) ceramics were prepared by traditional ceramic process. All the ceramic samples showed single perovskite phase except the sample with χ = 0.1. The effects of gallium doping on microstructure, ferromagnetic, ferroelectric, dielectric properties and conductivity were investigated. The results indicated that Ga-dopant could improve the sintering ability of the solid solution when the Ga content x was below 0.05. When x was over 0.05, the sintering ability of the solid solution was weakened, and the phase structure of 0.7BiFeO3-0.3BaTiO3 solid solution changed from rhombohedral phase into tetragonal ferroelectric phase. The electrical resistivity increased with the Ga content increasing. Both ferroelectricity and ferromagnetism were observed in all the ceramic samples. With the Ga content increasing, the remanent magnetization Mr increased and the magnetic coercive field Hc decreased. However, the remanent polarization Pr fluctuated, increasing firstly and decreasing later.

  6. Modeling of the solid-solution partitioning of heavy metals and arsenic in embanked flood plain soils of the rivers Rhine and Meuse

    NARCIS (Netherlands)

    Schröder, T.J.; Hiemstra, T.; Vink, J.P.M.

    2005-01-01

    The aim of this study is to predict the solid-solution partitioning of heavy metals in river flood plain soils. We compared mechanistic geochemical modeling with a statistical approach. To characterize the heavy metal contamination of embanked river flood plain soils in The Netherlands, we collected

  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. 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.

  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

    2016-01-01

    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

  10. 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.

  11. 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.

  12. 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)

  13. 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.

  14. 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.

  15. 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

  16. Diminished oligomerization in the synthesis of new anti-angiogenic cyclic peptide using solution instead of solid-phase cyclization.

    Science.gov (United States)

    Rubio, Sandra; Clarhaut, Jonathan; Péraudeau, Elodie; Vincenzi, Marian; Soum, Claire; Rossi, Filomena; Guillon, Jean; Papot, Sébastien; Ronga, Luisa

    2016-05-01

    The design and synthesis of novel peptides that inhibit angiogenesis is an important area for anti-angiogenic drug development. Cyclic and small peptides present several advantages for therapeutic application, including stability, solubility, increased bio-availability and lack of immune response in the host cell. We describe here the synthesis and biological evaluations of a new cyclic peptide analog of CBO-P11: cyclo(RIKPHE), designated herein as CBO-P23M, a hexamer peptide encompassing residues 82 to 86 of VEGF which are involved in the interaction with VEGF receptor-2. CBO-P23M was prepared using in solution cyclization, therefore reducing the peptide cyclodimerization occurred during solid-phase cyclization. The cyclic dimer of CBO-P23M, which was obtained as the main side product during synthesis of the corresponding monomer, was also isolated and investigated. Both peptides markedly reduce VEGF-A-induced phosphorylation of VEGFR-2 and Erk1/2. Moreover, they exhibit anti-angiogenic activity in an in vitro morphogenesis study. Therefore CBO-P23M and CBO-P23M dimer appear as attractive candidates for the development of novel angiogenesis inhibitors for the treatment of cancer and other angiogenesis-related diseases. © 2016 Wiley Periodicals, Inc. Biopolymers (Pept Sci) 106: 368-375, 2016.

  17. 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.

  18. 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.

  19. 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

  20. 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

  1. Ab initio calculation of excess properties of La{sub 1−x}(Ln,An){sub x}PO{sub 4} solid solutions

    Energy Technology Data Exchange (ETDEWEB)

    Li, Yan [Institute of Energy and Climate Research (IEK-6), Forschungszentrum Jülich, Wilhelm-Johnen-Strasse, 52425 Jülich (Germany); JARA High-Performance Computing, Schinkelstrasse 2, 52062 Aachen (Germany); Kowalski, Piotr M., E-mail: p.kowalski@fz-juelich.de [Institute of Energy and Climate Research (IEK-6), Forschungszentrum Jülich, Wilhelm-Johnen-Strasse, 52425 Jülich (Germany); JARA High-Performance Computing, Schinkelstrasse 2, 52062 Aachen (Germany); Blanca-Romero, Ariadna [Institute of Energy and Climate Research (IEK-6), Forschungszentrum Jülich, Wilhelm-Johnen-Strasse, 52425 Jülich (Germany); JARA High-Performance Computing, Schinkelstrasse 2, 52062 Aachen (Germany); Vinograd, Victor [Institute of Energy and Climate Research (IEK-6), Forschungszentrum Jülich, Wilhelm-Johnen-Strasse, 52425 Jülich (Germany); Institute of Geoscience, Goethe Universität Frankfurt am Main, Altenhöferallee 1, 60438 Frankfurt (Germany); Bosbach, Dirk [Institute of Energy and Climate Research (IEK-6), Forschungszentrum Jülich, Wilhelm-Johnen-Strasse, 52425 Jülich (Germany); JARA High-Performance Computing, Schinkelstrasse 2, 52062 Aachen (Germany)

    2014-12-15

    We used ab initio computational approach to predict the excess enthalpy of mixing and the corresponding regular/subregular model parameters for La{sub 1−x}Ln{sub x}PO{sub 4} (Ln=Ce,…, Tb) and La{sub 1−x}An{sub x}PO{sub 4} (An=Pu, Am and Cm) monazite-type solid solutions. We found that the regular model interaction parameter W computed for La{sub 1−x}Ln{sub x}PO{sub 4} solid solutions matches the few existing experimental data. Within the lanthanide series W increases quadratically with the volume mismatch between LaPO{sub 4} and LnPO{sub 4} endmembers (ΔV=V{sub LaPO{sub 4}}−V{sub LnPO{sub 4}}), so that W(kJ/mol)=0.618(ΔV(cm{sup 3}/mol)){sup 2}. We demonstrate that this relationship also fits the interaction parameters computed for La{sub 1−x}An{sub x}PO{sub 4} solid solutions. This shows that lanthanides can be used as surrogates for investigation of the thermodynamic mixing properties of actinide-bearing solid solutions. - Highlights: • The excess enthalpies of mixing for monazite-type solid solutions are computed. • The excess enthalpies increase with the endmembers volume mismatch. • The relationship derived for lanthanides is transferable to La{sub 1−x}An{sub x}PO{sub 4} systems.

  2. 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

  3. Effect of Preparation Method on Surface Area and Crystalline Form of CeO2-ZrO2 Solid Solution

    Institute of Scientific and Technical Information of China (English)

    王晓红; 郭耘; 卢冠忠; 郭杨龙; 王筠松; 张志刚; 刘晓晖

    2004-01-01

    The CeO2-ZrO2 solid solutions were prepared by a reverse microemulsion method. The effect of preparation parameters on the surface area and crystalline form of the solid solutions were studied by the BET surface area and XRD analysis. The studies indicate that the separation of the microemulsion phase during the preparation procedure can decrease the specific surface area of sample, adding hydrogen peroxide in the matrix solution can increase the specific surface area and stability of sample. The surface area of sample calcined at 550 ℃ for 5 h is 149 m2·g-1, and that calcined at 900 ℃ for 6 h is 88 m2·g-1.The sample with tetragonal symmetry Ce0.5Zr0.5O2 phase has a higher stability.

  4. Analytical solutions for the temperature field in a 2D incompressible inviscid flow through a channel with walls of solid fuel

    Directory of Open Access Journals (Sweden)

    Sorin BERBENTE

    2011-12-01

    Full Text Available A gas (oxidizer flows between two parallel walls of solid fuel. A combustion is initiated: the solid fuel is vaporized and a diffusive flame occurs. The hot combustion products are submitted both to thermal diffusion and convection. Analytical solutions can be obtained both for the velocity and temperature distributions by considering an equivalent mean temperature where the density and the thermal conductivity are evaluated. The main effects of heat transfer are due to heat convection at the flame. Because the detailed mechanism of the diffusion flame is not introduced the reference chemical reaction is the combustion of premixed fuel with oxidizer in excess. In exchange the analytical solution is used to define an ideal quasi-uniform combustion that could be realized by an n adequate control. The given analytical closed solutions prove themselves flexible enough to adjust the main data of some existing experiments and to suggest new approaches to the problem.

  5. Effect of solution temperature and cooling rate on microstructure and mechanical properties of laser solid forming Ti-6Al-4V alloy

    Institute of Scientific and Technical Information of China (English)

    Shuangyin Zhang; Xin Lin; Jing Chen; Weidong Huang

    2009-01-01

    The effect of solution temperature and cooling rate on microstructure and mechanical properties of laser solid forming (LSF) Ti-6Al-4V alloy is investigated.The samples arc solutions treated at 900,950,and 1000 ℃,followed by water quenching,air cooling,and furnace cooling,respectively.It is found that the cooling rate of solution treatment has a more important effect on the microstructure in comparison with the solution temperature.The martensite a' formed during water quenching results in the higher hardness and tensile strength but lower ductility of samples.With decreasing the cooling rate and increasing the solution temperature,the width of primary a laths increases,and the aspect ratio and volume fraction decrease,which make the hardness and tensile strength decrease and the ductility increase.

  6. Kinetics behaviour of metastable equiatomic Cu–Fe solid solution as function of the number of collisions induced by mechanical alloying

    Energy Technology Data Exchange (ETDEWEB)

    Contini, A., E-mail: alessandro.contini@hotmail.com [Dipartimento di Chimica e Farmacia, Università degli Studi di Sassari, via Vienna 2, 07100 Sassari (Italy); Delogu, F. [Dipartimento di Ingegneria Meccanica, Chimica, e dei Materiali, Università degli Studi di Cagliari, via Marengo 2, 09123 Cagliari (Italy); Garroni, S.; Mulas, G.; Enzo, S. [Dipartimento di Chimica e Farmacia, Università degli Studi di Sassari, via Vienna 2, 07100 Sassari (Italy)

    2014-12-05

    Graphical abstract: - Highlights: • Cu–Fe powders were studied as a function of the number of hits during MA. • An impulsive model describes the kinetics curves of solid solution formation. • The kinetic curve indicates that powders must undergo 6 critical events to transform. - Abstract: We have addressed a new study by mechanical alloying on the nominally immiscible Cu{sub 50}Fe{sub 50} system with the aim of relating the solid state transformation process, with formation of a disordered unstable solid solution having the face centered cubic habit, to parameters reflecting the impulsive, discontinuous nature of the process. The milling set-up, tools and powder were adjusted in order to ensure completely anelastic hits. Phase analysis, structure and microstructure parameters of such powder system have been followed accurately in the course of the kinetics by X-ray Diffraction using the Rietveld method. The experimental kinetics data points of the amount of transformed solid solution show a typical sigmoidal behavior. It was assumed that dissolution only occurs in the volumes of material that have undergone the necessary critical loading conditions, which is accounted by a discrete series expansion. The mass fraction effectively processed at each collision can be regarded as an apparent rate constant for the microstructural refinement and phase transformation processes. Analysis of model curves fitting the experimental data suggests that it takes up an average of 6 impacts of coupled powder particles to drive the system to the new unstable nano-crystalline state.

  7. Indications of the formation of an oversaturated solid solution during hydrogenation of Mg-Ni based nanocomposite produced by mechanical alloying

    Energy Technology Data Exchange (ETDEWEB)

    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); Ordonez, S. [Departamento de Ingenieria Metalurgica, Facultad de Ingenieria, Universidad de Santiago de Chile, Av. Lib. Bernardo O' Higgins 3363, Santiago (Chile); Fernandez, J.F.; Sanchez, C. [Departamento de Fisica de Materiales, Facultad de Ciencias, Universidad Autonoma de Madrid, Cantoblanco 28049, Madrid (Spain); Serafini, D. [Departamento de Fisica, Facultad de Ciencias, Universidad de Santiago de Chile and Center for Interdisciplinary Research in Materials, CIMAT, Av. Lib. Bernardo O' Higgins 3363, Santiago (Chile); Rojas, P.A. [Escuela de Ingenieria Mecanica, Facultad de Ingenieria, Av. Los Carrera 01567, Quilpue, Pontificia Universidad Catolica de Valparaiso, PUCV (Chile); Aguilar, C. [Instituto de Materiales y Procesos Termomecanicos, Facultad de Ciencias de la Ingenieria, Universidad Austral de Chile, Av. General Lagos 2086, Valdivia (Chile)

    2009-07-15

    An oversaturated solid solution of H in a nanocomposite material formed mainly by nanocrystalline Mg{sub 2}Ni, some residual nanocrystalline Ni and an Mg rich amorphous phase has been found for the first time. The nanocomposite was produced by mechanical alloying starting from Mg and Ni elemental powders, using a SPEX 8000D mill. The hydriding characterization of the nanocomposite was carried out by solid-gas reaction method in a Sievert's type apparatus. The maximum hydrogen content reached in a period of 21 Ks without prior activation was 2.00 wt.% H under hydrogen pressure of 2 MPa at 363 K. The X-ray diffraction analysis showed the presence of an oversaturated solid solution between nanocrystalline Mg{sub 2}Ni and H without any sign of Mg{sub 2}NiH{sub 4} hydride formation. The dehydriding behaviour was studied by differential scanning calorimetry and thermogravimetry. The results showed the existence of two desorption peaks, the first one associated with the transformation of the oversaturated solid solution into Mg{sub 2}NiH{sub 4}, and the second one with the Mg{sub 2}NiH{sub 4} desorption. (author)

  8. Microwave-induced synthesis and characterization of nanometer Ce0.5Zr0.5O2 solid solution for the acidic catalytic reaction

    Institute of Scientific and Technical Information of China (English)

    HU Yucai; YIN Ping; LIANG Tao; JIANG Wei; DU Zhengkun; CHEN Yonghua

    2008-01-01

    Ce0.5Zr0.5O2 solid solution was successfully synthesized using cerium nitrate,zirconium nitrate,and urea as raw materials by the microwave irradiation method and charactefizde by X-ray diffraction,fluorescence spectrum,transmission electron microscopy,and infrared spectrum.Its acid catalytic activity was evaluated in the esterification reaction of acetic acid and n-butyl alcohol.The results show that Ce0.5Zr0.5O2 solid solution has cubic fluorite structure,and its particle diameter is in the nanometer scale.As a sort of solid acid,it possesses a higher acid catalytic activity and can be easily separated from reaction liquids.It can be used for several times,and basically,its activity keeps constant.The proton acid sites and Lewis acid sites exist in the structure of Ce0.5Zr0.5O2 solid solution.

  9. Low Temperature Preparation of Ceria Solid Solutions Doubly Doped with Rare-Earth and Alkali-Earth and Their Properties as Solid Oxide Fuel Cells

    Institute of Scientific and Technical Information of China (English)

    任引哲; 蒋凯; 王海霞; 孟健; 苏锵

    2003-01-01

    A series of solid electrolytes, (Ce0.8Ln0.2)1-xMxO2-δ (Ln= La, Nd, Sm, Gd, M:Alkali-earth), were prepared by amorphous citrate gel method. XRD patterns indicate that a pure fluorite phase is formed at 800 ℃. The electrical conductivity and the AC impedance spectra were measured. XPS spectra show that the oxygen vacancies increase owing to the MO doping, which results in the increase of the oxygen ionic transport number and conductivity. The performance of ceria-based solid electrolyte is improved. The effects of rare-earth and alkali-earth ions on the electricity were discussed. The open-circuit voltages and maximum power density of planar solid oxide fuel cell using (Ce0.8Sm0.2)1-0.05Ca0.05O2-δ as electrolyte are 0.86 V and 33 mW*cm-2, respectively.

  10. MgAl2O4–-Al2O3 solid solution interaction: mathematical framework and phase separation of -Al2O3 at high temperature

    Indian Academy of Sciences (India)

    Soumen Pal; A K Bandyopadhyay; S Mukherjee; B N Samaddar; P G Pal

    2011-07-01

    Although existence of MgAl2O4–-Al2O3 solid solution has been reported in the past, the detailed interactions have not been explored completely. For the first time, we report here a mathematical framework for the detailed solid solution interactions of -Al2O3 in MgAl2O4 (spinel). To investigate the solid solubility of -Al2O3 in MgAl2O4, Mg–Al spinel (MgO–Al2O3; = 1, 1.5, 3, 4.5 and an arbitrary high value 30) precursors have been heat treated at 1000°C. Presence of only non-stoichiometric MgAl2O4 phase up to = 4.5 at 1000°C indicates that alumina (as -Al2O3) present beyond stoichiometry gets completely accommodated in MgAl2O4 in the form of solid solution. → alumina phase transformation and its subsequent separation from MgAl2O4 has been observed in the Mg–Al spinel powders ( > 1) when the 1000°C heat treated materials are calcined at 1200°C. In the mathematical framework, unit cell of MgAl2O4 (Mg8Al16O32) has been considered for the solid solution interactions (substitution of Mg2+ ions by Al3+ ions) with -Al2O3. It is suggested that combination of unit cells of MgAl2O4 takes part in the interactions when > 5 (MgO–Al2O3).

  11. Structural and dielectric properties of erbium doped BiFeO{sub 3}−PbTiO{sub 3} solid solutions

    Energy Technology Data Exchange (ETDEWEB)

    Vandana,, E-mail: anupinders@gmail.com; Singh, Anupinder, E-mail: anupinders@gmail.com; Singh, Lakhwant, E-mail: anupinders@gmail.com; Kaur, Anumeet, E-mail: anupinders@gmail.com [Multifunctional Materials Laboratory, Department of Physics, Guru Nanak Dev University, Amritsar-143005 (India); Dahyia, Sajjan [Department of Physics, Maharshi Dayanand University, Rohtak-124001 (India); Chatterjee, Ratnamala [Indian Institute of Technology Delhi, Hauz Khas, New Delhi-110016 (India)

    2014-04-24

    Single phase Er substituted at A-site BiFeO{sub 3}−PbTiO{sub 3} solid solutions were synthesized using solid state reaction route. The calcinations at different temperature reveals that the single and pure tetragonal phase formation has been accomplished at 1000°C. The SEM micrographs did not show any distinguishable change in grain size. The dielectric studies established that the dielectric constant decreases and ferroelectric T{sub c} increases with increase in Er.

  12. Solution-phase mechanistic study and solid-state structure of a tris(bipyridinium radical cation) inclusion complex.

    Science.gov (United States)

    Fahrenbach, Albert C; Barnes, Jonathan C; Lanfranchi, Don Antoine; Li, Hao; Coskun, Ali; Gassensmith, Jeremiah J; Liu, Zhichang; Benítez, Diego; Trabolsi, Ali; Goddard, William A; Elhabiri, Mourad; Stoddart, J Fraser

    2012-02-15

    The ability of the diradical dicationic cyclobis(paraquat-p-phenylene) (CBPQT(2(•+))) ring to form inclusion complexes with 1,1'-dialkyl-4,4'-bipyridinium radical cationic (BIPY(•+)) guests has been investigated mechanistically and quantitatively. Two BIPY(•+) radical cations, methyl viologen (MV(•+)) and a dibutynyl derivative (V(•+)), were investigated as guests for the CBPQT(2(•+)) ring. Both guests form trisradical complexes, namely, CBPQT(2(•+))⊂MV(•+) and CBPQT(2(•+))⊂V(•+), respectively. The structural details of the CBPQT(2(•+))⊂MV(•+) complex, which were ascertained by single-crystal X-ray crystallography, reveal that MV(•+) is located inside the cavity of the ring in a centrosymmetric fashion: the 1:1 complexes pack in continuous radical cation stacks. A similar solid-state packing was observed in the case of CBPQT(2(•+)) by itself. Quantum mechanical calculations agree well with the superstructure revealed by X-ray crystallography for CBPQT(2(•+))⊂MV(•+) and further suggest an electronic asymmetry in the SOMO caused by radical-pairing interactions. The electronic asymmetry is maintained in solution. The thermodynamic stability of the CBPQT(2(•+))⊂MV(•+) complex was probed by both isothermal titration calorimetry (ITC) and UV/vis spectroscopy, leading to binding constants of (5.0 ± 0.6) × 10(4) M(-1) and (7.9 ± 5.5) × 10(4) M(-1), respectively. The kinetics of association and dissociation were determined by stopped-flow spectroscopy, yielding a k(f) and k(b) of (2.1 ± 0.3) × 10(6) M(-1) s(-1) and 250 ± 50 s(-1), respectively. The electrochemical mechanistic details were studied by variable scan rate cyclic voltammetry (CV), and the experimental data were compared digitally with simulated data, modeled on the proposed mechanism using the thermodynamic and kinetic parameters obtained from ITC, UV/vis, and stopped-flow spectroscopy. In particular, the electrochemical mechanism of association

  13. Lattice crossover and mixed valency in the LaCo 1- xRh xO 3 solid solution

    Science.gov (United States)

    Li, Jun; Smith, Andrew E.; Kwong, Kyei-Sing; Powell, Cynthia; Sleight, Arthur W.; Subramanian, M. A.

    2010-06-01

    The full LaCo 1- xRh xO 3 solid solution was investigated utilizing structural, electrical transport, magnetic, and thermal conductivity characterization. Strong evidence for at least some conversion of Rh 3+/Co 3+ to Rh 4+/Co 2+ is found in both structural and electrical transport data. The crystal structure is that of a rhombohedrally distorted perovskite over the range 0.0≤ x≤0.1. The common orthorhombic distortion of the perovskite structure is found over the range 0.2≤ x≤1.0. A crossover of all three orthorhombic cell edges occurs at x=0.5 giving the appearance of a cubic structure, which actually remains orthorhombic. The octahedra in the orthorhombic structure must be distorted for x values less than 0.5, and the observed distortion suggests orbital ordering for Co 2+. Electrical resistivity measurements as a function of temperature show semiconducting-like regions for all compositions. There is a steady increase in electrical resistivity as the Rh content increases. Large positive thermopower values are generally obtained above 475 K. With increasing Rh substitution there is a decrease in thermal conductivity, which slowly rises with increasing temperature due to increased electrical conductivity. The electronic part of the thermal conductivity is suppressed significantly upon Rh substitution. A thermoelectric figure-of-merit (ZT) of about 0.075 has been achieved for LaCo 0.5Rh 0.5O 3 at 775 K, and is expected to reach 0.15 at 1000 K.

  14. Electron magnetic resonance of diluted solid solutions of Gd{sup 3+} in SrTiO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Biasi, R.S. de, E-mail: rsbiasi@ime.eb.br [Secao de Engenharia Mecanica e de Materiais, Instituto Militar de Engenharia, 22290-270 Rio de Janeiro, RJ (Brazil); Grillo, M.L.N., E-mail: mluciag@uerj.br [Instituto de Fisica, Universidade do Estado do Rio de Janeiro, 20550-013 Rio de Janeiro, RJ (Brazil)

    2011-10-17

    Highlights: {yields} EMR is an effective method to study the range of the exchange interaction in solid solutions. {yields} The range of the exchange interaction between Gd{sup 3+} ions in SrTiO{sub 3} is about 0.96 nm. {yields} The linewidth increases faster with Gd concentration in SrTiO{sub 3} than in other host lattices, such as CeO{sub 2}, SrO, CaO and ZrSiO{sub 4}. - Abstract: Electron magnetic resonance (EMR) spectra of gadolinium-doped strontium titanate (SrTiO{sub 3}) have been studied at room temperature for gadolinium concentrations between 0.20 and 1.20 mol%. The results suggest that the Gd{sup 3+} ions occupy substitutional sites, replacing the Sr{sup 2+} ion, that the electron magnetic resonance linewidth increases with increasing gadolinium concentration and that the range of the exchange interaction between Gd{sup 3+} ions is about 0.96 nm, of the same order as that of the same ion in other host lattices, such as ceria (CeO{sub 2}), quicklime (CaO), strontia (SrO) and zircon (ZrSiO{sub 4}). The fact that the electron magnetic resonance linewidth of the Gd{sup 3+} ion increases, regularly and predictably, with Gd concentration, shows that the Gd{sup 3+} ion can be used as a probe to study, rapidly and non-destructively, the crystallinity and degradation of SrTiO{sub 3}.

  15. Oxygen nonstoichiometry and phase transitions of the neodymium-rich Nd 1+ xBa 2- xCu 3O z solid solution

    Science.gov (United States)

    Goodilin, E.; Limonov, M.; Panfilov, A.; Khasanova, N.; Oka, A.; Tajima, S.; Shiohara, Y.

    1998-05-01

    On the basis of chemical, thermal analysis and Cu K-edge X-ray absorption measurements, oxygen content in the Nd 1+ xBa 2- xCu 3O z solid solution was determined between 1000°C in air and 400°C in oxygen for x=0.05-0.9 compositions. It has been observed that the oxygen nonstoichiometry Δ z of the Nd 1+ xBa 2- xCu 3O 7+ x/2-Δ z solid solution decreases 2-2.5 times for a large substitution (Δ z≈0.3-0.33 for x=0.9), despite of the acclaimed higher total oxygen content. The difference in nonstoichiometry is explained by a higher average value of the copper oxidation state (ACV), which is vital for the solid solution with large x even at elevated temperatures (ACV≈2-2.05 for x>0.3 at 1000°C, PO 2=0.21 atm). On the contrary, the ACV after complete oxygenation is almost constant (about 2.25-2.3) for the whole series. The x-dependence of the oxygen content is not monotonous and structural phase transitions can be observed at x=0.3 and x=0.6, as confirmed by the X-ray diffraction and the Raman scattering spectroscopy. The first well-known transition is connected with the oxygen disorder due to the Nd substitution for Ba at random Ba-sites. In the present work, it is proved by the apical oxygen mode broadening in Raman spectra. Ordering of the Nd and Ba atoms with a subsequent orthorhombic distortion of the lattice may occur even at 1000°C in air due to the second transformation at x≈0.6. The invariable orthorhombicity of the Nd-rich solid solution with x>0.6 is not caused by the oxygen absorption as in the x=0.05 case. Existence of high- and low-temperature orthorhombic modifications of this solid solution has been observed for the first time. Finally, a tentative 3D ( z- x- T) diagram is suggested for the Nd 1+ xBa 2- xCu 3O z solid solution up to 1000°C in air, including the new x=0.6-0.9 region.

  16. A solid solution series of atacamite type Ni{sub 2x}Mg{sub 2−2x}Cl(OH){sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Bette, Sebastian [TU Bergakademie Freiberg, Institute of Inorganic Chemistry, Leipziger Strasse 29, Freiberg 09596 (Germany); Dinnebier, Robert E. [Max Planck Institute for Solid State Research, Heisenbergstrasse 1, Stuttgart 70569 (Germany); Röder, Christian [TU Bergakademie Freiberg, Institute of Theoretical Physics, Leipziger Strasse 23, Freiberg 09596 (Germany); Freyer, Daniela, E-mail: daniela.freyer@chemie.tu-freiberg.de [TU Bergakademie Freiberg, Institute of Inorganic Chemistry, Leipziger Strasse 29, Freiberg 09596 (Germany)

    2015-08-15

    For the first time a complete solid solution series Ni{sub 2x}Mg{sub 2−2x}Cl(OH){sub 3} of an atacamite type alkaline main group metal chloride, Mg{sub 2}Cl(OH){sub 3}, and a transition group metal chloride, Ni{sub 2}Cl(OH){sub 3}, was prepared and characterized by chemical and thermal analysis as well as by Raman and IR spectroscopy, and high resolution laboratory X-ray powder diffraction. All members of the solid solution series crystallize in space group Pnam (62). The main building units of these crystal structures are distorted, edge-linked Ni/MgO{sub 4}Cl{sub 2} and Ni/MgO{sub 5}Cl octahedra. The distribution of Ni{sup 2+}- and Mg{sup 2+}-ions among these two metal-sites within the solid solution series is discussed in detail. The crystallization of the solid solution phases occurs via an intermediate solid solution series, (Ni/Mg)Cl{sub 2x}(OH){sub 2−2x}, with variable Cl: OH ratio up to the 1:3 ratio according to the formula Ni{sub 2x}Mg{sub 2−2x} Cl(OH){sub 3}. For one isolated intermediate solid solution member, Ni{sub 0.70}Mg{sub 0.30}Cl{sub 0.58}(OH){sub 1.42}, the formation and crystal structure is presented as well. - Graphical abstract: For the first time a complete solid solution series, Ni{sub 2x}Mg{sub 2−2x} Cl(OH){sub 3}, was synthesized and characterized. Structure solution by revealed that Ni{sup 2+} prefers to occupy the Jahn–Teller-like distorted hole, out of two available cation sites. Substitution of Ni{sup 2+} by Mg{sup 2+} in atacamite type Ni{sub 2}Cl(OH){sub 3} results in systematic band shifts in Raman and IR spectra as well as in systematic changes in thermal properties. The α-polymorphs M{sub 2}Cl(OH){sub 3} with M=Mg{sup 2+}, Ni{sup 2+} and other divalent transition metal ions, as described in literature, were identified as separate compounds. - Highlights: • First synthesis of solid solution series between main and transition metal chloride. • Ni{sup 2+} prefers to occupy Jahn–Teller-like distorted octahedral holes

  17. Effect of molecular weight on radiation chemical degradation yield of chain scission of γ-irradiated chitosan in solid state and in aqueous solution

    International Nuclear Information System (INIS)

    Chitosan A1, A2 and A3 with molecular weight of 471, 207 and 100 kDa respectively, produced from squid pen chitin was degraded by gamma rays in the solid state and in aqueous solution with various doses in air at ambient temperature. Effect of molecular weight on radiation chemical degradation yield of chain scission and degradation rate constants of γ-irradiated chitosan in solid state and in aqueous solution was investigated. The radiation chemical degradation yield G(s) and degradation rate values were calculated. The molecular weight changes were monitored by capillary viscometry method and the chemical structure changes were followed by UV analysis. The results showed that, the degradation of chitosan was faster in solution, than in solid state. The values of G(s) in solid state and in aqueous solution were respectively 1.1×10−8 mol/J and 0.074×10−7 mol/J for A1, 4.42×10−8 mol/J and 0.28×10−7 mol/J for A2 and 6.08×10−8 mol/J and 0.38×10−7 mol/J for A3. Degradation rate constants values ranged from 0.41×10−5 to 2.1×10−5 kGy−1 in solid state, whereas in solution they ranged from 13×10−5 to 68×10−5 kGy−1. The chitosan A3 was more sensitive to radiolysis than A1 and A2. The chain scission yield, G(s) and degradation rate constants seems to be greatly influenced by the initial molecular weight of the chitosan. Structural changes in irradiated chitosan are revealed by the apparition of absorption peaks at 261 and 295 nm, which could be attributed to the formation of carbonyl groups. In both conditions the peak intensity was higher in chitosan A3 than in A1 and A2, the oxidative products decreased with increasing molecular weight of chitosan. - Highlights: ► We investigated the effects of MW on G(s) value of γ-irradiated chitosan in solid and aqueous state. ► Chitosan with low molecular weight was more sensitive to radiolysis than high molecular weight. ► G(s) value and degradation rate seems to be greatly influenced by the

  18. Structure, elastic stiffness, and hardness of Os 1- xRu xB 2 solid solution transition-metal diborides

    KAUST Repository

    Kanoun, Mohammed

    2012-05-31

    On the basis of recent experiments, the solid solution transition-metal diborides were proposed to be new ultra-incompressible hard materials. We investigate using density functional theory based methods the structural and mechanical properties, electronic structure, and hardness of Os 1-xRu xB 2 solid solutions. A difference in chemical bonding occurs between OsB 2 and RuB 2 diborides, leading to significantly different elastic properties: a large bulk, shear moduli, and hardness for Os-rich diborides and relatively small bulk, shear moduli, and hardness for Ru-rich diborides. The electronic structure and bonding characterization are also analyzed as a function of Ru-dopant concentration in the OsB 2 lattice. © 2012 American Chemical Society.

  19. Hydrogen Production from Water by Photolysis, Sonolysis and Sonophotolysis with Solid Solutions of Rare Earth, Gallium and Indium Oxides as Heterogeneous Catalysts

    Directory of Open Access Journals (Sweden)

    Marta Penconi

    2015-07-01

    Full Text Available In this work, we present the hydrogen production by photolysis, sonolysis and sonophotolysis of water in the presence of newly synthesized solid solutions of rare earth, gallium and indium oxides playing as catalysts. From the experiments of photolysis, we found that the best photocatalyst is the solid solution Y0.8Ga0.2InO3 doped by sulphur atoms. In experiments of sonolysis, we optimized the rate of hydrogen production by changing the amount of water, adding ethanol and tuning the power of our piezoelectric transducer. Finally, we performed sonolysis and sonophotolysis experiments in the presence of S:Y0.8Ga0.2InO3 finding a promising synergistic effect of UV-visible electromagnetic waves and 38 kHz ultrasound waves in producing H2.

  20. Influence of baking on the photoluminescence spectra of In1-x Gax Asy P1-y solid solutions grown on Inp substrates

    International Nuclear Information System (INIS)

    The influence of thermal treatments on the photoluminescence spectra of In1-x Gax Asy P1-y epitaxial layers of various compositions grown by LPE on In P substrates has been studied. To prevent the epitaxial layers from degradation, due to phosphor evaporation during the baking, their surface was covered by spin-on SiO2 layers. The photoluminescence spectra did not change for solid solutions whose compositions were near In P and InGaAs. For compositions in the middle of the lattice-matched region, the variations were very noticeable because the appearance of additional peaks in the luminescence spectra. This could be related to the decomposition of those solid solutions whose compositions lie inside a theoretically predicted miscibility gap. (Author)

  1. Adsorption and nanowear properties of bovine submaxillary mucin films on solid surfaces: Influence of solution pH and substrate hydrophobicity

    DEFF Research Database (Denmark)

    Sotres, Javier; Madsen, Jan Busk; Arnebrant, Thomas;

    2014-01-01

    The adsorption and mechanical stability of bovine submaxillary mucins (BSM) films at solid-liquid interfaces were studied with respect to both substrate hydrophobicity and solution pH. Dynamic light scattering revealed a single peak distribution in neutral aqueous solution (pH 7.4) and a small...... fraction with enhanced aggregation was observed in acidic solution (pH 3.8). Both substrate hydrophobicity and solution pH were found to affect the spontaneous adsorption of BSM onto solid surfaces; BSM adsorbed more onto hydrophobic surfaces than hydrophilic ones, and adsorbed more at pH 3.8 than at pH 7.......4. Thus, the highest "dry" adsorbed mass was observed for hydrophobic surfaces in pH 3.8 solution. However, a highest "wet" adsorbed mass, i.e. which includes the solvent coupled to the film, was observed for hydrophobic surfaces at pH 7.4. The mechanical stability of the films was studied...

  2. Wear transition of solid-solution-strengthened Ti-29Nb-13Ta-4.6Zr alloys by interstitial oxygen for biomedical applications.

    Science.gov (United States)

    Lee, Yoon-Seok; Niinomi, Mitsuo; Nakai, Masaaki; Narita, Kengo; Cho, Ken; Liu, Huihong

    2015-11-01

    In previous studies, it has been concluded that volume losses (V loss) of the Ti-29Nb-13Ta-4.6Zr (TNTZ) discs and balls are larger than those of the respective Ti-6Al-4V extra-low interstitial (Ti64) discs and balls, both in air and Ringer's solution. These results are related to severe subsurface deformation of TNTZ, which is caused by the lower resistance to plastic shearing of TNTZ than that of Ti64. Therefore, it is necessary to further increase the wear resistance of TNTZ to satisfy the requirements as a biomedical implant. From this viewpoint, interstitial oxygen was added to TNTZ to improve the plastic shear resistance via solid-solution strengthening. Thus, the wear behaviors of combinations comprised of a new titanium alloy, TNTZ with high oxygen content of 0.89 mass% (89O) and a conventional titanium alloy, Ti64 were investigated in air and Ringer's solution for biomedical implant applications. The worn surfaces, wear debris, and subsurface damage were analyzed using a scanning electron microscopy and an electron probe microanalysis. V loss of the 89O discs and balls are smaller than those of the respective TNTZ discs and balls in both air and Ringer's solution. It can be concluded that the solid-solution strengthening by oxygen effectively improves the wear resistance for TNTZ materials. However, the 89O disc/ball combination still exhibits higher V loss than the Ti64 disc/ball combination in both air and Ringer's solution. Moreover, V loss of the disc for the 89O disc/Ti64 ball combination significantly decreases in Ringer's solution compared to that in air. This decrease for the 89O disc/Ti64 ball combination in Ringer's solution can be explained by the transition in the wear mechanism from severe delamination wear to abrasive wear.

  3. Combined sulfur K-edge XANES-EXAFS study of the effect of protonation on the sulfate tetrahedron in solids and solutions.

    Science.gov (United States)

    Pin, S; Huthwelker, T; Brown, M A; Vogel, F

    2013-09-01

    Sulfur K-edge X-ray absorption spectroscopy (XAS) has been used to distinguish between aqueous and solid sulfates and to investigate changes in their speciation. Data have been collected for tetrahedrally coordinated S in K2SO4 and KHSO4 solids and aqueous solutions. With a first qualitative analysis of the X-ray absorption near-edge structure (XANES) spectra, it has been observed that those for solids are much more structured and distinguishable from those of aqueous solutions. The protonation state has a strong effect on the white line of sulfates and has been assigned to the different charge delocalization in the samples, the effect of the solvating water molecules and multiple scattering effects. In the extended X-ray absorption fine structure (EXAFS) spectra, the backscattering from the first O shell dominated the EXAFS fine structure function, χ(k), but the nonlinear multiple scattering contributions occurring in the first coordination shell are significant and must be considered in the EXAFS analysis. The intensity of these contributions strongly depend on the symmetry of the system. For a distorted tetrahedron, the intensity of the multiple scattering contributions is less than that found in a regular tetrahedron. The FEFF code has been used to model the contributions of the multiple-scattering processes. The observed experimental evidence in the XAS data can be used to distinguish between sulfates in solids and liquids. This is applicable to many chemical, geochemical, and biological systems.

  4. Formation of solid solutions of gallium in Fe–Cr and Fe–Co alloys: Mössbauer studies and first-principles calculations

    International Nuclear Information System (INIS)

    Highlights: • Structure features of the formation of quasibinary solid solutions Fe–Co–Ga and Fe–Cr–Ga are found. • The first-principles calculation of mixing and solubility energies for Ga in an Fe–X alloy are given. • Ga handicaps the processes of phase separation in the Fe–Cr system and ordering in the Fe–Co system. • Preference of Ga entering in the neighborhood of a second element can help study multielement alloys. - Abstract: Investigation of Ga influence on the structure of Fe–Cr and Fe–Co alloys was performed with the use of Mössbauer spectroscopy and X-ray diffraction methods. The experimental results are compared with results of first-principles calculations of the mixing and solubility energies for Ga in an Fe–X (X = Co, Cr) alloy both in ferromagnetic and paramagnetic states. It is shown that Ga mainly goes into the solid solutions of the base alloys. In the alloys of the Fe–Cr system, doping with Ga handicaps the decomposition of solid solutions, observed in the binary alloys, and increases its stability. In the alloys with Co, Ga also favors the uniformity of solid solutions. The results of the first-principles calculations testify in favor of a preferable dissolution of Ga in the FeCo regions of a multicomponent structure rather than FeCr regions, both types of regions being in the ferromagnetic state at the temperature of annealing. The analysis of Mössbauer experiments gives some grounds to conclude that if, owing to liquation, clusterization, or initial stages of phase separation, there exist regions enriched in iron, some amount of Ga atoms prefer to enter the nearest surroundings of iron atoms, thus forming binary Fe–Ga regions (or phases)

  5. Preparation and thermoelectric properties of iodine-doped Bi{sub 2}Te{sub 3}-Bi{sub 2}Se{sub 3} solid solutions

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Go-Eun; Kim, Il-Ho [Korea National University of Transportation, Chungju (Korea, Republic of); Lim, Young-Soo; Seo, Won-Seon [Korea Institute of Ceramic Engineering and Technology, Seoul (Korea, Republic of); Choi, Byeong-Jun; Hwang, Chang-Won [SEEPEL Co., Ltd., Gunpo, Gyeonggi (Korea, Republic of)

    2014-09-15

    Bismuth chalcogenides, such as p-type (Bi,Sb){sub 2}Te{sub 3} and n-type Bi{sub 2}(Te,Se){sub 3}, are known to have excellent thermoelectric properties at temperatures near room temperature. Since Bi{sub 2}Te{sub 3}, Sb{sub 2}Te{sub 3} and Bi{sub 2}Se{sub 3} have the same class of crystal symmetry, they can form homogeneous solid solutions. The thermoelectric figure of merit can be improved by increasing the power factor through doping to optimize the carrier concentration and/or by reducing the thermal conductivity through the formation of solid solutions for phonon scattering. In this study, n-type Bi{sub 2}Te{sub 2.7}Se{sub 0.3}:I{sub m} (m = 0.0 - 0.015) solid solutions were successfully prepared by using encapsulated melting and hot pressing. The increase in the carrier concentration induced by I doping led to an increase in both the electrical conductivity and the electronic thermal conductivity, with I atoms acting as phonon scattering centers reducing the lattice thermal conductivity. The undoped solid solution had a carrier concentration of 6.27 x 10{sup 19} cm{sup -3}, a power factor (PF) of 1.71 mWm{sup -1}K{sup -2}, and a dimensionless figure of merit (ZT) of 0.54 at 323 K. However, the ZT value was improved by I doping due to the increased PF, demonstrating a maximum of ZT = 1.13 at 423 K for Bi{sub 2}Te{sub 2.7}Se{sub 0.3}:I{sub 0.0075}.

  6. A New Biindenylidenedione Compound with Two Azobenzene Units:Synthesis and Photochromic Behavior Both in Solution and in the Solid State

    Institute of Scientific and Technical Information of China (English)

    LIU Juyan; HAN Jie; WANG Juanyu; PANG Meili; MENG Jiben

    2009-01-01

    A new photochromic biindenylidenedione compound bearing two azobenzene units was synthesized and characterized by means of 1H NMR,13C NMR,ESI-MS and elemental analysis.The photochromic and photo-induced radical properties were investigated by means of UV-Vis and electron spin resonance spectroscopy,respectively.The results showed that the title compound exhibited photochromic behavior with good fatigue resistances both in solution and in the solid state.

  7. Influence of anionic substitution on the electrolyte electroreflectance study of band edge transitions in single crystal Cu2ZnSn(SxSe1-x)4 solid solutions

    Science.gov (United States)

    Levcenco, S.; Dumcenco, D.; Wang, Y. P.; Huang, Y. S.; Ho, C. H.; Arushanov, E.; Tezlevan, V.; Tiong, K. K.

    2012-06-01

    Single crystals of Cu2ZnSn(SxSe1-x)4 (CZTSSe) solid solutions were grown by chemical vapor transport technique using iodine trichloride as a transport agent. As confirmed by X-ray investigations, the as-grown CZTSSe solid solutions are single phase and crystallized in kesterite structure. The lattice parameters of CZTSSe were determined and the S contents of the obtained crystals were estimated by Vegard's law. The composition dependent band gaps of CZTSSe solid solutions were studied by electrolyte electroreflectance (EER) measurements at room temperature. From a detailed lineshape fit of the EER spectra, the band gaps of CZTSSe were determined accurately and were found to decrease almost linearly with the increase of Se content, which agreed well with the recent theoretical first-principle calculations by S. Chen, A. Walsh, J.H. Yang, X.G. Gong, L. Sun, P. X. Yang, J.H. Chu, S.H. Wei, Phys. Rev. B 83 (2011) 125201 (5pp).

  8. The ionic conductivity and defect structure of fluorite-type solid solutions Basub(1-x)Usub(x)Fsub(2+2x)

    International Nuclear Information System (INIS)

    The crystal growth and the characterization of the solid solutions Msub(1-x)Usub(x)Fsub(2+2x) (M = Ca, Sr, Ba and Pb) are described. X-ray diffraction and X-ray fluorescence methods have been utilized to determine the U4+ content of the solid solutions. The incorporation of UF4 in PbF2 is found to have a stabilizing effect on the β-PbF2 (fluorite) structure. A study of the conductivity properties of Basub(1-x)Usub(x)Fsub(2+2x) and of Pbsub(1-x)Usub(x)Fsub(2+2x) is presented. The effect of an anion excess on the diffuse phase transition and the specific heat anomaly of single crystals Msub(1-x)Usub(x)Fsub(2+2x) was studied with impedance spectroscopy and calorimetric measurements. Finally, a study of the fluorite-type solid solutions Basub(1-x)Lasub(x)Fsub(2+x) and Basub(1-x)Usub(x)Fsub(2+2x) using the Thermally Stimulated Depolarization Current (TSDC) technique is presented. (Auth.)

  9. Synthesis, thermal stability and magnetic properties of the Lu 1-xLa xMn 2O 5 solid solution

    Science.gov (United States)

    Ma, C.; Yan, J.-Q.; Dennis, K. W.; McCallum, R. W.; Tan, X.

    2009-11-01

    Polycrystalline samples of the Lu 1-xLa xMn 2O 5 solid solution system were synthesized under moderate conditions for compositions with x up to 0.815. Due to the large difference in ionic size between Lu 3+ and La 3+, significant changes in lattice parameters and severe lattice strains are present in the solid solution. This in turn leads to the composition dependent thermal stability and magnetic properties. It is found that the solid solution samples with x≤0.487 decompose at a single well defined temperature, while those with x≥0.634 decompose over a temperature range with the formation of intermediate phases. For the samples with x≤0.487, the primary magnetic transition occurs below 40 K, similar to LuMn 2O 5 and other individual RMn 2O 5 ( R=Bi, Y, and rare earth) compounds. In contrast, a magnetic phase with a ˜200 K onset transition temperature is dominant in the samples with x≥0.634.

  10. Quantitative experimental determination of the solid solution hardening potential of rhenium, tungsten and molybdenum in single-crystal nickel-based superalloys

    International Nuclear Information System (INIS)

    The solid-solution hardening potential of the refractory elements rhenium, tungsten and molybdenum in the matrix of single-crystal nickel-based superalloys was experimentally quantified. Single-phase alloys with the composition of the nickel solid-solution matrix of superalloys were cast as single crystals, and tested in creep at 980 °C and 30–75 MPa. The use of single-phase single-crystalline material ensures very clean data because no grain boundary or particle strengthening effects interfere with the solid-solution hardening. This makes it possible to quantify the amount of rhenium, tungsten and molybdenum necessary to reduce the creep rate by a factor of 10. Rhenium is more than two times more effective for matrix strengthening than either tungsten or molybdenum. The existence of rhenium clusters as a possible reason for the strong strengthening effect is excluded as a result of atom probe tomography measurements. If the partitioning coefficient of rhenium, tungsten and molybdenum between the γ matrix and the γ′ precipitates is taken into account, the effectiveness of the alloying elements in two-phase superalloys can be calculated and the rhenium effect can be explained

  11. Magnetic and electrical properties of (FeIn2S4)1-x(CuIn5S8)x solid solutions

    Science.gov (United States)

    Trukhanov, S. V.; Bodnar, I. V.; Zhafar, M. A.

    2015-04-01

    In this study, single crystals of FeIn2S4 and CuIn5S8 compounds, and (FeIn2S4)1-x(CuIn5S8)x solid solutions were grown using the Bridgman method. The magnetic and electrical properties of the samples obtained were investigated at temperatures of 5-300 K and in a magnetic field range of 0-14 T. It was established that all of the solid solutions were paramagnets down to low temperatures of ~10 K. It was shown that the ground state of the magnetic phase of the samples was a spin glass state, where the freezing temperature increased monotonically with the increase in the concentration of Fe2+ cations. All of the samples exhibited semiconductor characteristics in terms of electrical resistivity. The concentration-dependent critical magnetic temperatures, magnetic moment, and activation energy were plotted, which are probably explained by the magnetic state formation of the (FeIn2S4)1-x(CuIn5S8)x solid solution single crystals based on the empirical Goodenough-Kanamori rules.

  12. Phase transition in multiferroic YMnO{sub 3} and its solid solution YMn{sub (0.93)}Fe{sub (0.07)}O{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Salazar-Kuri, U. [Instituto de Fisica-Benemerita Universidad Autonoma de Puebla, Apdo.Postal J-48, C.P. 72570 Puebla, Pue (Mexico); Mendoza, M.E., E-mail: emendoza@ifuap.buap.mx [Instituto de Fisica-Benemerita Universidad Autonoma de Puebla, Apdo.Postal J-48, C.P. 72570 Puebla, Pue (Mexico); Siqueiros, J.M. [Centro de Nanociencias y Nanotecnologia, Universidad Nacional Autonoma de Mexico, Apdo.Postal 14, C.P. 22800 Ensenada, B.C. (Mexico)

    2012-09-01

    Ceramics of YMnO{sub 3} and its Fe substituted YMn{sub (0.93)}Fe{sub (0.07)}O{sub 3} solid solution were synthesized by solid state reaction of the oxides at 1200 Degree-Sign C. Hexagonal phase was identified in both cases by X-ray powder diffraction. Rietveld refinement of cell parameters showed an increase of the parameter values for the solid solution. Dielectric permittivity measurements versus temperature showed a phase transition at 655 Degree-Sign C for yttrium manganite, however, for the solid solution no phase transition was detected on heating up to 700 Degree-Sign C. Dielectric loss measurements showed higher slope changes and better defined local maxima for the solid solution than for the pure phase.

  13. Preparation, characterization and thermal behavior of K{sub 2}U{sub 4}O{sub 13}-Rb{sub 2}U{sub 4}O{sub 13} solid solutions

    Energy Technology Data Exchange (ETDEWEB)

    Kanrar, Buddhadev; Dhara, Sangita; Misra, Nand Lal [Bhabha Atomic Research Centre, Mumbai (India). Fuel Chemistry Div.

    2016-07-01

    The preparation and characterization of (K{sub 1-x}Rb{sub x}){sub 2}U{sub 4}O{sub 13} solid solutions has been studied for the x values in the range of 0 - 1. The solid solutions were prepared by heating K{sub 2}U{sub 4}O{sub 13} and Rb{sub 2}U{sub 4}O{sub 13} 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 Rb{sub 2}U{sub 4}O{sub 13} and K{sub 2}U{sub 4}O{sub 13}. 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 (K{sub 1-x}Rb{sub x}){sub 2}U{sub 4}O{sub 12} or their mixtures.

  14. Microstructure and hydrogen storage properties of Mg(In) solid solution%Mg(In)固溶体的微观结构与储氢性能

    Institute of Scientific and Technical Information of China (English)

    钟海长; 王辉

    2014-01-01

    Mg(In) solid solutions with different compositions were prepared by sintering and ball milling method. X­ray diffraction was used to analyze the phases and phase transition of the alloys during the hydriding and dehydriding process. Lattice constants of Mg(In) solid solution were accurately calculated by Rietveld method. Morphology and phase distribution of the samples were observed by SEM. The hydrogen absorption and desorption performances of the alloys were measured by Sievert method, and dehydriding temperatures were determined by DSC tests. The results show that the lattice constants of Mg are reduced by dissolving of In, and that Mg(In) solid solutions were hydrogenated to MgH2 and intermetallic compounds MgxIny, which reversibly return to Mg(In) solid solution after dehydrogenation. The reversible hydriding and dehydriding phase transitions of Mg(In) solid solutions and interfacial alloying effectively reduce the dehydriding enthalpy, thus lowering the dehydriding temperature and improving the hydriding and dehydriding kinetics of the Mg(In) solid solutions. The plateau pressure of Mg(In) solid solutions is improved and the hydriding and dehydriding lag is reduced compared with those of pure Mg.%采用烧结-球磨方法制备了不同成分的Mg(In)固溶体合金。利用X射线衍射分析合金的相组成和吸/脱氢过程的相转变,并用Rietveld方法精确测定Mg(In)固溶体的晶格常数;通过SEM观察样品的微观形貌及其相分布;吸/脱氢性能采用 Sievert 方法进行测试,并用差热分析准确测定合金的脱氢温度。结果表明:In 固溶到 Mg晶格中使Mg的晶格常数减小;Mg(In)固溶体氢化分解成MgH2和金属间化合物MgxIny,脱氢后可逆地回到Mg(In)固溶体。Mg(In)固溶体吸/脱氢可逆相变与界面合金化有效降低了合金的脱氢反应焓,从而降低了合金脱氢温度,并提高了合金的吸/脱氢动力学性能。与纯Mg相比,Mg(In)固溶体的吸/脱

  15. Photocatalytic H2 production from spinels ZnGa2−xCrxO4 (0≤x≤2) solid solutions

    International Nuclear Information System (INIS)

    Solid solutions of ZnGa2−xCrxO4 (0≤x≤2) were successfully prepared by solid state reactions. Introducing Cr into ZnGa2O4 crystal structure significantly improves its light absorption and greatly enhances its photocatalytic activity. An optimized Cr content (x=1.5 for ZnGa0.5Cr1.5O4) was found for the solid solutions with the highest photocatalytic hydrogen production rate (~775 μmol/h). Compositional analysis suggests there is a strong enrichment of Cr at the surface of sample ZnGa0.5Cr1.5O4 compared with other samples. Theoretical calculations suggest their electronic structures involve spin-polarized conduction band (CB) and valence band (VB) that are mainly composed of Cr 3d orbitals. The highest photocatalytic activity observed in ZnGa0.5Cr1.5O4 is probably due to the higher Cr content at the surface that favors the Cr 3d orbital overlapping. - Graphical abstract: Electronic structure and density of states of ZnGa2O4 after partially substituting Ga with Cr. - Highlights: • Complete solid solution can be formed between ZnGa2O4 and ZnCr2O4. • Optical properties and catalytic activity are improved by adding Cr into ZnGa2O4. • An optimized Cr content exists for the highest activity. • Enrichment of Cr in the surface is beneficial for a better performance

  16. Evaluation of Solid-Solution Hardening of Fe-27 at. pct Al by Vanadium and Comparison to Precipitation Strengthening by Vanadium Carbides

    Science.gov (United States)

    Kratochvíl, Petr; Pešička, Josef; Král, Robert; Švec, Martin; Palm, Martin

    2015-11-01

    The compressive yield stress of Fe-27Al- xV(-C) ( x = 0 to 4 at. pct) at 1073 K (800 °C) has been determined. The increase of the yield stress of Fe-Al by increasing vanadium content is explained by solid-solution hardening. The experimentally observed values of the yield stress at 1073 K (800 °C) are compared with the strengthening given by theories evaluating the interaction between solute atoms and dislocations. The experimental results fit well the increase of the yield stress by the interaction of the solute atoms with screw dislocations. Further increase in yield strength in similar alloys due to vanadium carbides is documented. Precipitated carbides were identified by transmission electron microscopy and Kikuchi patterns. Although precipitation of vanadium carbides increases the compressive yield stress, they also could result in premature failure in tension as their highly anisotropic shape may facilitate crack nucleation.

  17. Oxidation and mechanical behaviors of solid-solution hardening nickel-base superalloys in high temperature helium environments

    International Nuclear Information System (INIS)

    Solid-solution hardening nickel-base superalloys Alloy 617 and Haynes 230 were examined for VHTR intermediate heat exchanger applications. This study focused on high temperature oxidation and aging degradation and how they affected low temperature embrittlement and creep behaviors at high temperatures. Oxidation tests and aging heat treatment were carried out at 900 .deg. C and 1000 .deg. C in impure helium environments that contained H2, H2O, CO, CO2, and CH4 in order to simulate VHTR coolant chemistry. The oxidation kinetics of the alloys followed the parabolic law of oxidation in all cases. In impure helium environments that had very low oxygen activity, a Cr2O3 layer, TiO2 ridges on the grain boundaries, and isolated MnCr2O4 grains on top of the Cr2O3 layer were formed for Alloy 617, while a Cr2O3 inner layer and a NiO outer layer were formed in air with high oxygen activity due to the different thermodynamics. For Haynes 230, a Cr2O3 inner layer and a protective MnCr2O4 outer layer formed, which increased the oxidation resistance. The oxidation kinetics of Haynes 230 was changed by Mn depletion at the initial stage of oxidation. A dense MnCr2O4 oxide layer grew on top of a Cr2O3 layer in impure helium environments for Haynes 230, while quasi-columnar MnCr2O4 grains grew in air, which resulted in a better oxidation resistance for the impure helium environments. Cellular Cr2O3 oxides for Alloy 617 and MnCr2O4 whiskers/platelets for Haynes 230 were formed in impure helium at 900 .deg. C due to the more rapid dissociation of water vapor and CO2 molecules compared to the oxygen molecules. The formation of irregular oxides are believed to have been due to a VLS mechanism based on the appearance of droplets on the tips of the whiskers, the formation of which was more preferential on the vertex of MnCr2O4 crystals. The effect of a small amount of CH4 and H2 on the oxidation kinetics of the alloys was insignificant. In slightly oxidizing and decarburizing environments

  18. Solid-State Transformation of Iron-Rich Intermetallic Phases in Al-Cu 206 Cast Alloys During Solution Heat Treatment

    Science.gov (United States)

    Liu, K.; Cao, X.; Chen, X.-G.

    2013-08-01

    The solid-state transformation of the iron-rich intermetallic phases in Al-Cu 206 cast alloys during the solution heat treatment was studied by using Scanning Electron Microscope (SEM), Electron Back Scattered Diffraction (EBSD), Differential Scanning Calorimeter (DSC), and Transmission Electron Microscope (TEM). At a normal solution treatment temperature of 793 K (520 °C), no visible variation is observed for the β-Fe phase solidified from the Al alloy melt. With increasing soaking time, however, the Chinese script α-Fe becomes unstable and progressively transforms into platelet β-Fe, termed as solid-state-transformed (STed) β-Fe to distinguish it from the β-Fe directly solidified from the Al alloy melt. The STed β-Fe preferentially nucleates on the α-Fe and then grows from the α-Fe/Al interface into α-Fe and/or Al matrix with a much higher growth rate in the α-Fe. The incomplete solid-state transformation from α-Fe into STed β-Fe leads to the fragmentation of the α-Fe. The formation of the STed β-Fe with increasing size and volume fraction after longer soaking time can deteriorate the tensile properties.

  19. Effect of nitrogen on the preparation (powder synthesis - sintering) and on the dielectric properties of 'MgAlON' spinel solid solutions

    International Nuclear Information System (INIS)

    The aim of this work is to show the effect of nitrogen on the synthesis, the sintering and the dielectric behaviour of 'MgAlON' spinel solid solutions. 'MgAlON' solid solutions (1.1 ≤ N ≤ 4.2 %) have been prepared by solid state reactions between Al2O3, MgO and AlN at high temperature (1450 degrees Celsius) under nitrogen atmosphere and characterized by granulometric analysis, Brunauer-Emmet-Teller (BET) surface area analysis, X-ray diffraction, scanning electron microscopy, Al27 NMR, FTIR spectroscopy and thermoluminescence. Point defects have been revealed. They are in particular due to the nitrogen amount incorporated into the structure. The O/N substitution in the anionic lattice induces a delay to the densification when the nitrogen composition increases. The dielectric properties of these materials have been studied by two methods. The first one has a macroscopic character and is destructive. It allows to know the breakdown voltage and to calculate the dielectric rigidity of the material. The second one ('SEMM': 'Scanning Electron Microscopy Mirror') has a microscopic character and is nondestructive. Its principle is based on the charge injection with an electric beam. It gives the yield of charge trapping of the material. The good behaviour of these materials to the charge injection has been correlated to the oxygen vacancies in increasing amount with the nitrogen composition. (O.M.)

  20. Photocatalytic H2 production from spinels ZnGa2-xCrxO4 (0≤x≤2) solid solutions

    Science.gov (United States)

    Xu, Xiaoxiang; Xie, Yinghao; Ni, Shuang; Azad, Abul K.; Cao, Tongcheng

    2015-10-01

    Solid solutions of ZnGa2-xCrxO4 (0≤x≤2) were successfully prepared by solid state reactions. Introducing Cr into ZnGa2O4 crystal structure significantly improves its light absorption and greatly enhances its photocatalytic activity. An optimized Cr content (x=1.5 for ZnGa0.5Cr1.5O4) was found for the solid solutions with the highest photocatalytic hydrogen production rate (~775 μmol/h). Compositional analysis suggests there is a strong enrichment of Cr at the surface of sample ZnGa0.5Cr1.5O4 compared with other samples. Theoretical calculations suggest their electronic structures involve spin-polarized conduction band (CB) and valence band (VB) that are mainly composed of Cr 3d orbitals. The highest photocatalytic activity observed in ZnGa0.5Cr1.5O4 is probably due to the higher Cr content at the surface that favors the Cr 3d orbital overlapping.

  1. Correlation between vibrational modes and structural characteristics of Ba[(Zn1-xMgx)1/3Ta2/3]O3 solid solutions

    Institute of Scientific and Technical Information of China (English)

    石锋; Helei; Dong

    2014-01-01

    Ba[(Zn1-xMgx)1/3Ta(2/3)]O3(BZMT,x=0,0.2,0.4,0.6,0.8,and 1.0)solid solution ceramics were synthesized by a conventional solid-state sintering technique.Vibration spectra(Raman spectroscopy and Fourier trans form far-infrared reflection spectroscopy)and X-ray diffraction(XRD)were employed to evaluate the correla tion between microstructures and phonon modes of these solid solutions.Spectroscopic and structural data show sensitivity to structural evolution of samples with Mg2+concentration,and a 1:2 ordered phase appears when x≥0.2.The unit cell parameters decrease with increasing Mg2+content.The ordering degree reaches a relative maximum value in the range of Mg2+content,0.4≤x<0.6.The phonon modes were assigned,and the correlation of phonon vibrations in the microstructure were analyzed.The position and width of the phonon modes were determined and correlated to the ionic radii for the different atoms substituted in the B’-site.

  2. Temperature dependence of thermal expansion coefficient of (CuInTe{sub 2}){sub 1-x}(2ZnTe){sub x} solid solutions

    Energy Technology Data Exchange (ETDEWEB)

    Bodnar, I.V.; Chibusova, L.V. [Belarus State Univ. of Information Science and Radio Electronics, Minsk (Belarus); Korzun, B.V. [Inst. of Physics of Solids and Semiconductors, Minsk (Belarus)

    2000-06-16

    Investigations have been made for the first time of the thermal expansion of the (CuInTe{sub 2}){sub 1-x}(2ZnTe){sub x} solid solutions. It has been demonstrated that the thermal expansion coefficient {alpha}{sub L} grows considerably in the temperature range from 77 to 300 K whereas the temperature dependence above 300 K is rather weak. For the solid solutions with 0solid state transition from the chalcopyrite structure into sphalerite one takes place. Such anomaly in {alpha}{sub L}(T) has not been observed for x{<=}0.4. The isotherms of the composition dependence of {alpha}{sub L} for 77, 293 and 500 K were constructed. They are linear within one-phase ranges with the chalcopyrite structure (0 < x {<=} 0.3) or sphalerite structure (x {>=} 0.4). The Debye temperatures {theta}{sub D} and the average quadratic dynamic displacements u{sup 2} were calculated. (orig.)

  3. A contribution to the crystal chemistry of the voltaite group: solid solutions, Mössbauer and infrared spectra, and anomalous anisotropy

    Science.gov (United States)

    Majzlan, Juraj; Schlicht, Hannes; Wierzbicka-Wieczorek, Maria; Giester, Gerald; Pöllmann, Herbert; Brömme, Beatrix; Doyle, Stephen; Buth, Gernot; Bender Koch, Christian

    2013-04-01

    Voltaite is a mineral of fumaroles, solfatares, coal-fire gas vents, and acid-mine drainage systems. The nominal composition is K2Fe5 2+Fe3 3+Al(SO4)12·18H2O and the nominal symmetry is cubic, Fdoverline{3}c. The tetragonal ( I41/ acd) superstructure of voltaite is known as the mineral pertlikite. In this study, we investigated 22 synthetic voltaite samples in which Fe2+ was partially or completely replaced by Mg, Zn, Mn, or Cd, by single-crystal and powder X-ray diffraction (both in-house and synchrotron). Two samples contained NH4 + instead of K+. The structure of voltaite is based on a framework defined by kröhnkite-like heteropolyhedral chains which host both M3+ and M2+ in octahedral coordination. Unit cell dimensions of the end-members scale almost linearly with the size of M2+. In the Fe2+-Mg-Zn solid solutions, the Fe2+-Mg and Fe2+-Zn solutions are linear (ideal) in terms of their lattice-parameter variations. The Mg-Zn solid solution, however, is strongly non-ideal. A detailed analysis of the topology of the chains showed that this behavior originates in expansion and contraction of individual M2+-O bonds within the chains. In the Mg-Zn solid solution, some of the M2+-O bonds expand while none contract. In the other solid solutions, expansion of some M2+-O bonds is always compensated by contraction of the other ones. Parts of the nominally cubic crystals are optically anisotropic and their symmetry is found to be tetragonal by single crystal X-ray diffraction measurements. The coexistence of cubic and tetragonal sectors within a single crystal without any detectable difference in their chemical composition is difficult to explain in terms of growth of such composite crystals. Mössbauer and infrared spectra collected on our synthetic crystals conform with previously published data.

  4. Highly corrosion-resistant Cu70(Ni,Fe,Mn,Cr)30 cupronickel designed using a cluster model for stable solid solutions

    International Nuclear Information System (INIS)

    Minor M (M = Fe, Mn, Cr) additions are widely added to enhance the corrosion resistance of commercial cupronickel alloys. The present paper aims at optimizing the amounts of M in Cu70(Ni,Fe,Mn,Cr)30 (at.%) alloys using a cluster-plus-glue-atom model for stable solid solutions. By this model, it assumed that 1 M atom and 12 Ni atoms formed an M-centered and Ni-surrounded cube-octahedron cluster and the isolated M1Ni12 clusters are embedded in a Cu matrix, conforming to a cluster formula [M1Ni12]Cu30.3 = [M1/13Ni12/13]30Cu70. A structure of this kind satisfies ideally the nearest neighbor requirement, i.e. only M-Ni and Ni-Cu neighbors are allowed and the unfavorable Cu-M pairs are avoided, and hence it describes a stable solid solution structure with good thermal stability. Electrochemical corrosion measurements indicated that [(Fe0.6Mn0.25Cr0.15)1Ni12]Cu30.3 had the best corrosion resistance in 3.5% NaCl aqueous solution.

  5. Solid/solution Cu fractionations/speciation of a Cu contaminated soil after pilot-scale electrokinetic remediation and their relationships with soil microbial and enzyme activities

    Energy Technology Data Exchange (ETDEWEB)

    Wang Quanying [State Key Laboratory of Soil and Sustainable Agriculture, Institute of Soil Science, Chinese Academy of Sciences, 71 East Beijing Road, Nanjing 210008 (China); Graduate School of the Chinese Academy of Sciences, Beijing 100049 (China); Zhou Dongmei, E-mail: dmzhou@issas.ac.c [State Key Laboratory of Soil and Sustainable Agriculture, Institute of Soil Science, Chinese Academy of Sciences, 71 East Beijing Road, Nanjing 210008 (China); Cang Long; Li Lianzhen; Wang Peng [State Key Laboratory of Soil and Sustainable Agriculture, Institute of Soil Science, Chinese Academy of Sciences, 71 East Beijing Road, Nanjing 210008 (China); Graduate School of the Chinese Academy of Sciences, Beijing 100049 (China)

    2009-08-15

    The aim of this study was to investigate the detailed metal speciation/fractionations of a Cu contaminated soil before and after electrokinetic remediation as well as their relationships with the soil microbial and enzyme activities. Significant changes in the exchangeable and adsorbed-Cu fractionations occurred after electrokinetic treatment, while labile soil Cu in the solution had a tendency to decrease from the anode to the cathode, and the soil free Cu{sup 2+} ions were mainly accumulated in the sections close to the cathode. The results of regression analyses revealed that both the soil Cu speciation in solution phase and the Cu fractionations in solid phase could play important roles in the changes of the soil microbial and enzyme activities. Our findings suggest that the bioavailability of soil heavy metals and their ecotoxicological effects on the soil biota before and after electroremediation can be better understood in terms of their chemical speciation and fractionations. - The assessment of the roles of soil solution speciation and solid-phase fractionations in metal bioavailability after electrokinetic remediation deserves close attention.

  6. Analytical solutions for non-linear conversion of a porous solid particle in a gas–I. Isothermal conversion

    NARCIS (Netherlands)

    Brem, G.; Brouwers, J.J.H.

    1990-01-01

    Analytical description are presented for non-linear heterogeneous conversion of a porous solid particle reacting with a surrounding gas. Account has been taken of a reaction rate of general order with respect to gas concentration, intrinsic reaction surface area and pore diffusion, which change with

  7. Analytical Solution of Melting in a Subcooled Semi-infinite Solid with Boundary Conditions of the Second Kind

    Institute of Scientific and Technical Information of China (English)

    1993-01-01

    The melting problem in a semi-infinite region with constant heat flux boundary condition is solved by a semi-exact method and an integral approximate method .Effect of subcooling on the transient solid-liquid interface location and surface temperature are also discussed in this paper.

  8. Alternative Donor--Acceptor Stacks from Crown Ethers and Naphthalene Diimide Derivatives: Rapid, Selective Formation from Solution and Solid State Grinding

    Energy Technology Data Exchange (ETDEWEB)

    Advanced Light Source; Liu, Yi; Klivansky, Liana; Cao, Dennis; Snauko, Marian; Teat, Simon J.; Struppe, Jochem O.; Koshkakaryan, Gayane

    2009-01-22

    Self assembling {pi}-conjugated molecules into ordered structures are of increasing interest in the field of organic electronics. One particular example is charge transfer complexes containing columnar alternative donor-acceptor (ADA) stacks, where neutral and ionic ground states can be readily tuned to modulate electrical, optical, and ferroelectrical properties. Aromatic-aromatic and charge transfer interactions have been the leading driving forces in assisting the self-assembly of ADA stacks. Various folding structures containing ADA stacks were assembled in solution with the aid of solvophobic or ion-binding interactions. Meanwhile, examples of solid ADA stacks, which are more appealing for practical use in devices, were obtained from cocrystalization of binary components or mesophase assembly of liquid crystals in bulk blends. Regardless of these examples, faster and more controllable approaches towards precise supramolecular order in the solid state are still highly desirable.

  9. Preparation, crystal structure and photoluminescence of lithium magnesium manganese borate solid solutions, LiMg{sub 1-x}Mn{sub x}BO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Yamane, Hisanori, E-mail: yamane@tagen.tohoku.ac.jp [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan); Kawano, Tetsuya [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan); Fukuda, Kentaro [TOKUYAMA Corporation, 1-1, Harumi-cho, Shunan-shi, Yamaguchi 745-0024 (Japan); Suehiro, Takayuki; Sato, Tsugio [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan)

    2012-01-25

    Graphical abstract: . LiMg{sub 1-x}Mn{sub x}BO{sub 3} has a monoclinic structure in which Mg{sup 2+}/Mn{sup 2+} is in a 5-fold coordination site of an oxygen trigonal bipyramid. The solid solutions display red luminescence ({lambda}{sub em} = 682-696 nm) under excitation of {lambda}{sub ex} = 428 nm and 200 nm. Highlights: Black-Right-Pointing-Pointer LiMg{sub 1-x}Mn{sub x}BO{sub 3} were prepared at 800 Degree-Sign C in Ar by solid state reaction. Black-Right-Pointing-Pointer LiMg{sub 1-x}Mn{sub x}BO{sub 3} prepared at x {<=} 0.5 and 0.75 {<=} x are monoclinic and hexagonal phases. Black-Right-Pointing-Pointer Single crystals of LiMg{sub 0.5}Mn{sub 0.5}BO{sub 3} were prepared using B{sub 2}O{sub 3} as a flux. Black-Right-Pointing-Pointer Mn and Mg atoms statistically occupy 5-hold oxygen bipyramid site in the structure. Black-Right-Pointing-Pointer The monoclinic phases exhibit red emission (682-696 nm) at room temperature. - Abstract: LiMg{sub 1-x}Mn{sub x}BO{sub 3} solid solutions were prepared by solid state reaction in Ar at 800 Degree-Sign C. The X-ray diffraction reflections of the solid solutions with the manganese content x from 0 to 0.5 were indexed with monoclinic cells (space group C2/c (No. 15)). The solid solution of x = 0.75 has the hexagonal structure of LiMnBO{sub 3} (space group P6{sup Macron} (No. 174)). Colorless transparent platelet single crystals of LiMg{sub 0.5}Mn{sub 0.5}BO{sub 3} were prepared by heating a polycrystalline sample of x = 0.50 with a Li{sub 2}BO{sub 2} flux and by slow cooling from 900 Degree-Sign C. The crystal structure was analyzed by single crystal X-ray diffraction (monoclinic, C2/c, a = 5.1820(2) Angstrom-Sign , b = 8.9241(4) Angstrom-Sign , c = 10.1529(6) Angstrom-Sign , {beta} = 91.5824(18) Degree-Sign , R1 = 0.0271, wR2 = 0.0645, and S = 1.219 for all data). Mn{sup 2+} and Mg{sup 2+} atoms statistically occupy a 5-fold coordinate site of oxygen trigonal bipyramid. Monoclinic LiMg{sub 1-x}Mn{sub x}BO{sub 3} solid

  10. La-Sr-Ni-Co-O based perovskite-type solid solutions as catalyst precursors in the CO 2 reforming of methane

    Science.gov (United States)

    Valderrama, Gustavo; Kiennemann, Alain; Goldwasser, Mireya R.

    La 1- xSr xNi 0.4Co 0.6O 3 and La 0.8Sr 0.2Ni 1- yCo yO 3 solid solutions with perovskite-type structure were synthesized by the sol-gel resin method and used as catalytic precursors in the dry reforming of methane with CO 2 to syngas, between 873 and 1073 K at atmospheric pressure under continuous flow of reactant gases with CH 4/CO 2 = 1 ratio. These quaternary oxides were characterized by X-ray diffraction (XRD), BET specific surface area and temperature-programmed reduction (TPR) techniques. XRD analyses of the more intense diffraction peaks and cell parameter measurements showed formation of La-Sr-Ni-Co-O solid solutions with La 0.9Sr 0.1CoO 3 and/or La 0.9Sr 0.1NiO 3 as the main crystallographic phases present on the solids depending on the degree of substitution. TPR analyses showed that Sr doping decreases the temperature of reduction via formation of intermediary species producing Ni 0, Co 0 with particle sizes in the range of nanometers over the SrO and La 2O 3 phases. These metallic nano particles highly dispersed in the solid matrix are responsible for the high activity shown during the reaction and avoid carbon formation. The presence of Sr in doping quantities also promotes the secondary reactions of carbon formation and water-gas shift in a very small extension during the dry reforming reaction.

  11. La-Sr-Ni-Co-O based perovskite-type solid solutions as catalyst precursors in the CO{sub 2} reforming of methane

    Energy Technology Data Exchange (ETDEWEB)

    Valderrama, Gustavo [Laboratorio de Catalisis, Petroleo y Petroquimica, Unidad de Estudios Basicos, Universidad de Oriente - Nucleo Bolivar, La Sabanita - Calle San Simon, Estado Bolivar 8001 (Venezuela); Kiennemann, Alain [Laboratoire des Materiaux et Procedes pour la Catalyse, UMR 7515, ECPM, Universite Louis Pasteur, 25 rue Becquerel, 67087 Strasbourg Cedex 2 (France); Goldwasser, Mireya R. [Centro de Catalisis, Petroleo y Petroquimica, Facultad de Ciencias - Universidad Central de Venezuela. Paseo los Ilustres, Los Chaguaramos, Caracas 1040 (Venezuela)

    2010-04-02

    La{sub 1-x}Sr{sub x}Ni{sub 0.4}Co{sub 0.6}O{sub 3} and La{sub 0.8}Sr{sub 0.2}Ni{sub 1-y}Co{sub y}O{sub 3} solid solutions with perovskite-type structure were synthesized by the sol-gel resin method and used as catalytic precursors in the dry reforming of methane with CO{sub 2} to syngas, between 873 and 1073 K at atmospheric pressure under continuous flow of reactant gases with CH{sub 4}/CO{sub 2} = 1 ratio. These quaternary oxides were characterized by X-ray diffraction (XRD), BET specific surface area and temperature-programmed reduction (TPR) techniques. XRD analyses of the more intense diffraction peaks and cell parameter measurements showed formation of La-Sr-Ni-Co-O solid solutions with La{sub 0.9}Sr{sub 0.1}CoO{sub 3} and/or La{sub 0.9}Sr{sub 0.1}NiO{sub 3} as the main crystallographic phases present on the solids depending on the degree of substitution. TPR analyses showed that Sr doping decreases the temperature of reduction via formation of intermediary species producing Ni{sup 0}, Co{sup 0} with particle sizes in the range of nanometers over the SrO and La{sub 2}O{sub 3} phases. These metallic nano particles highly dispersed in the solid matrix are responsible for the high activity shown during the reaction and avoid carbon formation. The presence of Sr in doping quantities also promotes the secondary reactions of carbon formation and water-gas shift in a very small extension during the dry reforming reaction. (author)

  12. Hybrid Cluster Precursors of the LaZrO Insulator for Transistors: Properties of High-Temperature-Processed Films and Structures of Solutions, Gels, and Solids.

    Science.gov (United States)

    Li, Jinwang; Zhu, Peixin; Hirose, Daisuke; Kohara, Shinji; Shimoda, Tatsuya

    2016-01-01

    In the solution processing of oxide electronics, the structure of metal-organic precursors in solution and their effect on processability and on the final structure and properties of the oxide have rarely been studied. We have observed that hybrid clusters, having inorganic cores coordinated by organic ligands, are the typical form of metal-organic precursor structures. For insulating ternary LaZrO, improved synthesis of the cluster precursor under solvothermal conditions led to low-temperature deposition of the film at 200 °C, as we will report in another paper. In the current paper, we first briefly show that solvothermal synthesis of the precursor resulted in significantly improved insulating properties (e.g., two orders lower leakage current) of high-temperature-annealed films, and then focus on the structural analysis of the cluster precursors and annealed solids and relate the results to the significant improvement of properties by solvothermal treatment of solutions. A change in the cluster core toward structural unification was brought about by solvothermal treatment, resulting in higher uniformity and higher stability of clusters. The final structure of the material maintained the features of the core structure in solution, even after annealing at high temperatures. These results demonstrate the key role played by designing cluster structure in solution. PMID:27411971

  13. SnxTi1-xO2 Solid Solution Catalysts for Nitrogen Oxide Selective Catalytic Reduction by Propene in Presence of Oxygen

    Institute of Scientific and Technical Information of China (English)

    尉继英; 马军; 朱月香; 蔡小海; 谢有畅

    2001-01-01

    A series of SnO2-TiO2 binary oxide catalysts prepared by cocurrent precipitation method was found to be a novel and good system for the selective catalytic reduction of NO by propene in the presence of oxygen with high activity and good selectivity to N2. The NO conversion to N2 over SnO2-TiO2 oxide catalysts varied with SnO2 content and attainted a maximum at 65% over the catalyst with SnO2 content at 40wt% for a feed with 1186 ppm NO, 948 ppm propene and 2.23% O2 in He and a space velocity of 15000 h-1 at 350℃. The SnO2-TiO2catalysts could sustain moderate activity in the presence of 10% steam. Because of the identical valence and the similar radius of Sn4+ and Ti4+ , SnO2-TiO2 binary oxides can form solid solution in three different phases as proved by XRD,electron diffraction and TPR. Sn4+ is the main active species in the SnO2-TiO2 catalysts, and it is enriched on the solid solution surface as tested by XPS analysis. H2-TPR, NH3-TPD and BET tests show that SnO2-TiO2 solid solution can dilute SnO2 and suppress the activity of propene complete oxidation over SnO2. This may be beneficial to the reactivity enhancement of NO conversion.

  14. The effect of Re and Ru on γ/γ' microstructure, γ-solid solution strengthening and creep strength in nickel-base superalloys

    International Nuclear Information System (INIS)

    Graphical abstract: Larson-Miller-plot for DS-Astra1-alloys with different Re contents at constant (a) 0 at.% Ru, (b) 1 at.% Ru and (c) 2 at.% Ru. Display Omitted Research highlights: → Creep rupture strength in dependence of Re and Ru. → Interrelationship between Re and Ru dependent microstructure and creep strength. → Interrelation of solid solution strengthener and creep strength. → Comparison to simulation. - Abstract: A new in-house designed series of Ni based superalloys with stepwise increased Re and Ru additions has been investigated, to systematically determine the influence of Re and Ru on γ/γ'-microstructure and high temperature creep properties. Improved creep resistance and thus also a higher alloy temperature capability of up to 87 K/at.% was found for additions of Re. Additions of Ru revealed a lower temperature capability improvement of up to 38 K/at.% for low Re-containing second generation alloys. However, in third and fourth generation alloys with higher Re-contents, no significant influence of Ru on creep rupture strength was observed. The creep properties are discussed with respect to the γ'-volume fraction, γ'-size and γ'-coarsening rate, as well as the γ/γ'-lattice misfit and the γ/γ' partitioning coefficient of the different Re and Ru containing alloys. The presented data shows, that these microstructure parameters are strongly influenced by additions of Re, but only marginally by additions of Ru. A further influence on creep rupture strength is given by the solid solution hardening of the γ-matrix, which is discussed based on solid solution hardener concentrations either experimentally derived or calculated from ThermoCalc data.

  15. CP276铝-锂合金的固溶温度研究%Study on Solid Solution Treatment Temperature for Al-Li Alloy CP276

    Institute of Scientific and Technical Information of China (English)

    谢绍俊

    2001-01-01

    探讨了固溶温度对CP276铝-锂合金显微组织和力学性能的影响.研究证明,提高固溶温度可以促进Cu、Li原子向基体溶解,进而提高合金时效的沉淀强化效果.并且发现,该合金经固溶处理后可得到未完全再结晶组织,这种微观组织将对基体产生"组织强化效应",随着固溶温度升高,合金的再结晶程度也有所增加,从而使组织强化效应受到削弱.力学性能测定结果显示,CP276合金的理想固溶温度为530℃左右.%The effect of solid solution treatment (SST) temperature on the microstructure and mechanical properties for aluminium-lithium alloy CP276 was experimentally explored. It is verified that the increasing of SST temperature promoted the dissolving of Cu, Li atoms to solid solution matrix, and hence improved the ageing strengthening effect upon the alloy. It is also found that, incompletely recrystallized structure could be obtained after solid solution treatment, which helpfully providing "structure-strengthening effect" for this alloy. However, the recrystallization degree improved along with the increasing of SST temperature, making the structure-strengthening effect somewhat weakened. The results of mechanical tensile tests show the desirable SST temperature for alloy CP276 is about 530 ℃.

  16. Microstructure And Oxidation Properties Of Laser Clad Ni70AL20Cr7Hf3 Alloys With Extended Solid Solution Of Hf

    Science.gov (United States)

    Mazumder, J.; Sircar, S.; Ribaudo, C.; Kar, A.,

    1989-01-01

    Alloys coatings for superalloys for improved higher temperature (1200°C) service life under aggressive atmospheres are of great interest at present. There is a general consensus that addition of rare earths such as hafnium (Hf) to these alloys has a pronounced effect on the oxidation resistance properties at high temperatures. In situ laser cladding technique was used to produce Ni-Al-Cr-Hf alloys with extended solid solution of Hf in a near stoichiometric Ni3Al matrix. A 10 kW CW CO2 laser was used in conjunction with a screw-feed powder dispenser to perform the in situ cladding process.

  17. Separation of the contributions to the magnetization of Tm1 - x Yb x B12 solid solutions in steady and pulsed magnetic fields

    Science.gov (United States)

    Bogach, A. V.; Sluchanko, N. E.; Glushkov, V. V.; Demishev, S. V.; Azarevich, A. N.; Filippov, V. B.; Shitsevalova, N. Yu.; Levchenko, A. V.; Vanacken, J.; Moshchalkov, V. V.; Gabani, S.; Flachbart, K.

    2013-05-01

    The magnetization of substitutional Tm1 - x Yb x B12 solid solutions is studied in the composition range 0 B12 compounds to be separated. These contributions include a Pauli component, which corresponds to the response of the heavy-fermion manybody states that appears in the energy gap in the vicinity of the Fermi level (density of states (3-4) × 1021 cm-3 meV-1), and a contribution with saturation in high magnetic fields attributed to the localized magnetic moments ((0.8-3.7)μB per unit cell) of the nanoclusters formed by rare-earth ions with an antiferromagnetic interaction.

  18. Tetragonal-cubic phase boundary in nanocrystalline ZrO{sub 2}-Y{sub 2}O{sub 3} solid solutions synthesized by gel-combustion

    Energy Technology Data Exchange (ETDEWEB)

    Fabregas, Ismael O. [CINSO (Centro de Investigaciones en Solidos), CITEFA-CONICET, J.B. de La Salle 4397, 1603 Villa Martelli, Pcia. de Buenos Aires (Argentina); Craievich, Aldo F.; Fantini, Marcia C.A. [Instituto de Fisica, Universidade de Sao Paulo, Travessa R da Rua do Matao, No. 187, Cidade Universitaria, 05508-900 Sao Paulo (Brazil); Millen, Ricardo P.; Temperini, Marcia L.A. [Instituto de Quimica, Universidade de Sao Paulo, Avenida Prof. Lineu Prestes 748, Cidade Universitaria, 05508-900 Sao Paulo (Brazil); Lamas, Diego G., E-mail: dlamas@uncoma.edu.ar [CINSO (Centro de Investigaciones en Solidos), CITEFA-CONICET, J.B. de La Salle 4397, 1603 Villa Martelli, Pcia. de Buenos Aires (Argentina); Laboratorio de Caracterizacion de Materiales, Facultad de Ingenieria, Universidad Nacional del Comahue, Buenos Aires 1400, (8300) Neuquen Capital, Prov. de Neuquen (Argentina)

    2011-04-21

    Research highlights: > Gel-combustion synthesis yields compositionally homogeneous, single-phased ZrO{sub 2}-Y{sub 2}O{sub 3} nanopowders, that exhibit the presence at room temperature of three different phases depending on Y{sub 2}O{sub 3} content, namely two tetragonal forms (t' and t'') and the cubic phase. > Phase identification can be achieved by synchrotron XPD (SXPD) and Raman spectroscopy since the tetragonal forms and the cubic phase can be distinguished by these techniques. > The crystallographic features of ZrO{sub 2}-Y{sub 2}O{sub 3} nanopowders were determined by SXPD. They are similar to those reported by Yashima and coworkers for compositionally homogeneous materials containing larger (micro)crystals. However, the lattice parameters are slightly different and the axial ratios c/a of our t' samples are smaller than those reported by these authors. > Compositional t'/t'' and t''/cubic phase boundaries are located at (9 {+-} 1) and (10.5 {+-} 0.5) mol% Y{sub 2}O{sub 3}, respectively. > For the whole series of nanocrystalline ZrO{sub 2}-Y{sub 2}O{sub 3} solid solutions studied in the present work, no evidences of the presence of a mixture of phases - as reported by Yashima and coworkers for microcrystalline solid solutions - were detected. - Abstract: By means of synchrotron X-ray powder diffraction (SXPD) and Raman spectroscopy, we have detected, in a series of nanocrystalline and compositionally homogeneous ZrO{sub 2}-Y{sub 2}O{sub 3} solid solutions, the presence at room temperature of three different phases depending on Y{sub 2}O{sub 3} content, namely two tetragonal forms and the cubic phase. The studied materials, with average crystallite sizes within the range 7-10 nm, were synthesized by a nitrate-citrate gel-combustion process. The crystal structure of these phases was also investigated by SXPD. The results presented here indicate that the studied nanocrystalline ZrO{sub 2}-Y{sub 2}O{sub 3} solid

  19. Structure and photophysics of a europium dimeric system, Eu2(HFAA)2(Dipy)2(TFOAc)2(OAc)2, in the solid state and solution

    International Nuclear Information System (INIS)

    A new example of dimeric complex of europium β-diketones with α,α' dipyridine-Lewis base ligand, trifluoroacetate and acetates of formula C76H48Eu4F36N8O24 was obtained. The high resolution emission and emission excitation spectra at 293 and 4 K, as well as luminescence decay time measurements were used to characterize the title compound in the solid state and in the solution. The Raman spectra were used to analyze the vibronic coupling. The influence of dimeric structure on the optical behaviour will be presented

  20. Growth and characterisation of (CuInTe{sub x}){sub 1-x} (2 ZnTe){sub x} solid solution single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Bodnar, I.V. [Belorusskij Gosudarstvennyj Univ., Minsk (Belarus). Khimicheskij Fakul' tet; Eifler, A.; Riede, V. [Belorusskij Gosudarstvennyj Univ., Minsk (Belarus). Khimicheskij Fakul' tet; Leipzig Univ. (Germany). Arbeitsgruppe Duennschichttechnik; Doering, Th.; Schmitz, W.; Bente, K. [Belorusskij Gosudarstvennyj Univ., Minsk (Belarus). Khimicheskij Fakul' tet; Inst. fuer Mineralogie, Kristallographie und Materialwissenschaft, Univ. Leipzig (Germany); Gremenok, V.F.; Victorov, I.A. [Belorusskij Gosudarstvennyj Univ., Minsk (Belarus). Khimicheskij Fakul' tet; Inst. of Physics of Solids and Semiconductors, National Academy of Sciences, Minsk (Belarus)

    2000-07-01

    The crystal structure as well as the optical properties in the band gap region of (CuInTe{sub 2}){sub 1-x} (2 ZnTe){sub x} solid solution single crystals grown by directional freezing have been studied. The lattice constants exhibit a linear dependence on crystal composition. The chalcopyrite-sphalerite phase transition was observed between x = 0.3 and x = 0.4. The variation of the band gap with respect to crystal composition can be described by a quadratic expression. (orig.)

  1. A coordination chemistry study of hydrated and solvated cationic vanadium ions in oxidation states +III, +IV, and +V in solution and solid state

    OpenAIRE

    Krakowiak, Joanna; Lundberg, Daniel; Persson, Ingmar

    2012-01-01

    The coordination chemistry of hydrated and solvated vanadium(III), oxovanadium(IV), and dioxovanadium(V) ions in the oxygen donor solvents water, dimethylsulfoxide (dmso) and N,N′-dimethylpropyleneurea (dmpu) has been studied in solution by EXAFS and large angle X-ray scattering (LAXS) and in solid state by single crystal X-ray diffraction and EXAFS. The hydrated vanadium(III) ion has a regular octahedral configuration with a mean V-O bond distance of 1.99 Å. In the hydrated and dimethylsulfo...

  2. Role of the chemical substitution on the luminescence properties of solid solutions Ca{sub (1−x)}Cd{sub (x)}WO{sub 4} (0 ≤ x ≤1)

    Energy Technology Data Exchange (ETDEWEB)

    Taoufyq, A. [Institut Matériaux Microélectronique et Nanosciences de Provence, Aix Marseille Université, CNRS, Université de Toulon, IM2NP UMR 7334, 83957 La Garde (France); Laboratoire Matériaux et Environnement LME, Faculté des Sciences, Université Ibn Zohr, BP 8106, Cité Dakhla, Agadir (Morocco); CEA, DEN, Département d' Etudes des Réacteurs, Service de Physique Expérimentale, Laboratoire Dosimétrie Capteurs Instrumentation, 13108 Saint-Paul-lez-Durance (France); Mauroy, V.; Guinneton, F. [Institut Matériaux Microélectronique et Nanosciences de Provence, Aix Marseille Université, CNRS, Université de Toulon, IM2NP UMR 7334, 83957 La Garde (France); Bakiz, B. [Laboratoire Matériaux et Environnement LME, Faculté des Sciences, Université Ibn Zohr, BP 8106, Cité Dakhla, Agadir (Morocco); Villain, S. [Institut Matériaux Microélectronique et Nanosciences de Provence, Aix Marseille Université, CNRS, Université de Toulon, IM2NP UMR 7334, 83957 La Garde (France); and others

    2015-10-15

    Highlights: • Luminescence can be modified by chemical substitution in solid solutions Ca{sub 1−x}Cd{sub x}WO{sub 4}. • 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{sub (1−x)}Cd{sub (x)}WO{sub 4} 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 WO{sub 4}{sup 2−} or WO{sub 6}{sup 6−}. 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.

  3. Intermolecular bonding of hemin in solution and in solid state probed by N K-edge X-ray spectroscopies.

    Science.gov (United States)

    Golnak, Ronny; Xiao, Jie; Atak, Kaan; Stevens, Joanna S; Gainar, Adrian; Schroeder, Sven L M; Aziz, Emad F

    2015-11-21

    X-ray absorption/emission spectroscopy (XAS/XES) at the N K-edge of iron protoporphyrin IX chloride (FePPIX-Cl, or hemin) has been carried out for dissolved monomers in DMSO, dimers in water and for the solid state. This sequence of samples permits identification of characteristic spectral features associated with the hemin intermolecular bonding. These characteristic features are further analyzed and understood at the molecular orbital (MO) level based on the DFT calculations.

  4. Evidence for lattice strain and non-ideal behaviour in the (La1-xEux)PO4 solid solution from X-ray diffraction and vibrational spectroscopy

    Science.gov (United States)

    Geisler, Thorsten; Popa, Karin; Konings, Rudy

    2016-06-01

    The monazite-type solid solution of LaPO_4 and EuPO_4 has been studied by X-ray diffraction, infrared (IR) and Raman spectroscopic techniques. A substantial excess molar volume has been derived from the X-ray data, and the Raman and IR spectra show band broadening typical for mixing of cations of different size on the cation sublattice. The IR spectra were interpreted by the autocorrelation method and the excess autocorrelation parameter Δ{corr}^{ex} shows clear deviation from ideal solution behaviour, similar to the observed broadening of the Raman bands. The results can be interpreted in terms of local lattice strains resulting from the ion size effects of substitution of La^{3+} by Eu^{3+}, and correlate very well with calorimetric measurements of the excess enthalpy that was previously measured.

  5. A unique quinolineboronic acid-based supramolecular structure that relies on double intermolecular B-N bonds for self-assembly in solid state and in solution.

    Science.gov (United States)

    Zhang, Yanling; Li, Minyong; Chandrasekaran, Sekar; Gao, Xingming; Fang, Xikui; Lee, Hsiau-Wei; Hardcastle, Kenneth; Yang, Jenny; Wang, Binghe

    2007-04-16

    The boronic acid functional group plays very important roles in sugar recognition, catalysis, organic synthesis, and supramolecular assembly. Therefore, understanding the unique properties of this functional group is very important. 8-Quinolineboronic acid (8-QBA) is found to be capable of self-assembling in solid state through a unique intermolecular B-N bond mechanism reinforced by intermolecular boronic anhydride formation, π-π stacking, and hydrogen bond formation. NMR NOE and diffusion studies indicate that intermolecular B-N interaction also exists in solution with 8-QBA. In contrast, a positional isomer of 8-QBA, 5-quinolineboronic acid (5-QBA) showed very different behaviors in crystal packing and in solution and therefore different supramolecular network. Understanding the structural features of this unique 8-QBA assembly could be very helpful for the future design of new sugar sensors, molecular catalysts, and supramolecular assemblies. PMID:18414645

  6. Hydrothermal method of preparation of actinide(IV) phosphate hydrogenphosphate hydrates and study of their conversion into actinide(IV) phosphate diphosphate solid solutions.

    Science.gov (United States)

    Dacheux, N; Grandjean, S; Rousselle, J; Clavier, N

    2007-11-26

    Several compositions of Th2-x/2AnIVx/2(PO4)2(HPO4).H2O (An=U, Np, Pu) were prepared through hydrothermal precipitation from a mixture of nitric solutions containing cations and concentrated phosphoric acid. All the samples were fully characterized by X-ray diffraction, UV-vis, and infrared spectroscopies to check for the existence of thorium-actinide(IV) phosphate hydrogenphosphate hydrates solid solutions. Such compounds were obtained as single phases, up to x=4 for uranium, x=2 for neptunium, and xpolyphase systems composed by beta-TAnPD, An2O(PO4)2, and/or alpha-AnP2O7 were formed. Finally, this hydrothermal route of preparation was applied successfully to the synthesis of an original phosphate-based compound incorporating simultaneously tetravalent uranium, neptunium and plutonium. PMID:17973479

  7. Solid phase extraction using silica gel modified with azo-dyes derivative for preconcentration and separation of Th(IV) ions from aqueous solutions

    International Nuclear Information System (INIS)

    Azo-dyes derivative (HL) sorbent was synthesized according to the literature to be used in the adsorption and preconcentration of Th(IV) ions from aqueous solution and it was exposed to immobilization, and new solid support material was obtained. For this purpose, azo-dyes derivative (HL) was chemically bonded to silica gel surface immobilized 3-chloropropyl trimethoxysilane, then analyzed by FTIR, BET, SEM and elemental analysis. The influence of the solution pH, initial Th(IV) concentration, amount of sorbent, contact time, temperature and foreign ion effect was investigated. The maximum Th(IV) uptake capacity was found to be 24.85 ± 0.2 mg/g. (author)

  8. Solid/solution Cu fractionations/speciation of a Cu contaminated soil after pilot-scale electrokinetic remediation and their relationships with soil microbial and enzyme activities.

    Science.gov (United States)

    Wang, Quan-Ying; Zhou, Dong-Mei; Cang, Long; Li, Lian-Zhen; Wang, Peng

    2009-01-01

    The aim of this study was to investigate the detailed metal speciation/fractionations of a Cu contaminated soil before and after electrokinetic remediation as well as their relationships with the soil microbial and enzyme activities. Significant changes in the exchangeable and adsorbed-Cu fractionations occurred after electrokinetic treatment, while labile soil Cu in the solution had a tendency to decrease from the anode to the cathode, and the soil free Cu(2+) ions were mainly accumulated in the sections close to the cathode. The results of regression analyses revealed that both the soil Cu speciation in solution phase and the Cu fractionations in solid phase could play important roles in the changes of the soil microbial and enzyme activities. Our findings suggest that the bioavailability of soil heavy metals and their ecotoxicological effects on the soil biota before and after electroremediation can be better understood in terms of their chemical speciation and fractionations. PMID:19427727

  9. Monoclinic structure of hydroxylpyromorphite Pb10(PO4)6(OH)2 - hydroxylmimetite Pb10(AsO4)6(OH)2 solid solution series

    Science.gov (United States)

    Giera, Alicja; Manecki, Maciej; Borkiewicz, Olaf; Zelek, Sylwia; Rakovan, John; Bajda, Tomasz; Marchlewski, Tomasz

    2016-04-01

    Seven samples of hydroxyl analogues of pyromorphite-mimetite solid solutions series were synthesized from aqueous solutions at 80° C in a computer-controlled chemistate: 200 mL aqueous solutions of 0.05M Pb(NO3)2 and 0.03M KH2AsO4 and/or KH2PO4 were dosed with a 0.25 mL/min rate to a glass beaker, which initially contained 100 mL of distilled water. Constant pH of 8 was maintained using 2M KOH. The syntheses yielded homogeneous fine-grained white precipitates composition of which was close to theoretical Pb10[(PO4)6‑x(AsO4)x](OH)2, where x = 0, 1, 2, 3, 4, 5, 6. High-resolution powder X-ray diffraction data were obtained in transmission geometry at the beamline 11-BM at the Advanced Photon Source (Argonne National Laboratory in Illinois, USA). The structure Rietveld refinements based on starting parameters of either hexagonal hydroxylpyromorphite or monoclinic mimetite-M were performed using GSAS+EXPGUI software. Apatite usually crystallizes in the hexagonal crystal system with the space group P63/m. For the first time, however, the lowering of the hexagonal to monoclinic crystal symmetry was observed in the hydroxyl variety of pyromorphite-mimetite solid solution series. This is indicated by better fitting of the modeled monoclinic structure to the experimental data. The same is not the case for analogous calcium hydroxylapatite series Ca5(PO4)3OH - Ca5(AsO4)3OH (Lee et al. 2009). Systematical linear increase of unit cell parameters is observed with As substitution from a=9.88, b=19.75, and c=7.43 for Pb10(PO4)6(OH)2 to a=10.23, b=20.32, and c=7.51 for Pb10(AsO4)6(OH)2. A strong pseudohexagonal character (γ ≈ 120° and b ≈ 2a) of the analyzed monoclinic phases was established. This work is partially funded by AGH research grant no 11.11.140.319 and partially by Polish NCN grant No 2011/01/M/ST10/06999. Lee Y.J., Stephens P.W., Tang Y., Li W., Philips B.L., Parise J.B., Reeder R.J., 2009. Arsenate substitution in hydroxylapatite: Structural characterization

  10. Microstructure and hardness of Mg–9Li–6Al–xLa (x=0, 2, 5) alloys during solid solution treatment

    International Nuclear Information System (INIS)

    The microstructure evolution of Mg–9Li–6Al–xLa (x=0, 2, 5) alloy under different solid solution parameters was investigated. The results show that, during solution treatment at 350 °C, the lamellar AlLi is precipitated from α-Mg in Mg–9Li–6Al, while the MgLi2Al is dissolved into the matrix. However, during solution treatment at 450 °C, the AlLi phase is wholly dissolved into matrix, while the MgLi2Al is precipitated from β-Li. The addition of La can reduce the size of α-Mg, restrain the formation of AlLi, and make the precipitated MgLi2Al from β-Li at 450 °C be finer than that in Mg–9Li–6Al. With the addition of La, the decrease of the amount of AlLi and MgLi2Al leads to a descent of hardness, while the refinement, Al–La phase precipitation, and the solution of Al atoms can improve the hardness of the alloys

  11. Facile fabrication of all-solid-state flexible interdigitated MnO2 supercapacitor via in-situ catalytic solution route

    Science.gov (United States)

    Long, Xiao; Zeng, Zhigang; Guo, Erjuan; Shi, Xiaobo; Zhou, Haijun; Wang, Xiaohong

    2016-09-01

    With the rapid development of wearable and portable electronics, the demand for all-solid-state flexible energy storage devices with high performance, long-term cycling stability and bending stability has been aroused. Physical and chemical method for preparing thin-film materials has enabled planar flexible supercapacitors (SCs) to be fabricated for a variety of applications. In this work, we report on the facile fabrication of an all-solid-state flexible interdigitated supercapacitor with a convenient and efficient two-step method. 3-D nanostructured α-MnO2 has been prepared on the surface of interdigitated Pt metal pattern on polyethylene terephthalate (PET) substrate as high-performance electrode material via in-situ catalytic solution route without any assistance of template or surfactant. The SCs are fabricated with PVA/H3PO4 as solid-state electrolyte, which exhibited good electrochemical performance with areal capacitance as much as 20 mF cm-2 at a scan rate of 10 mV s-1, relatively high energy density (3.6 × 10-7 Wh cm-2-1.9 × 10-6 Wh cm-2) and power density (9 × 10-5 W cm-2-1.6 × 10-4 W cm-2), and excellent long-term cycling stability with capacitance retention of 82.2% (10,000 times charge and discharge), and bending stability with capacitance retention of 89.6%.

  12. Phase diagram of the CuInS{sub 2}-ZnS system and some physical properties of solid solutions phases

    Energy Technology Data Exchange (ETDEWEB)

    Parasyuk, O.V.; Voronyuk, S.V.; Gulay, L.D.; Davidyuk, G.Ye.; Halka, V.O

    2003-01-13

    The phase diagram of the quasi-binary CuInS{sub 2}-ZnS system was constructed using differential-thermal analysis and X-ray diffraction. The diagram is of the first type according to Rozeboom's classification. Continuous solid solutions are formed between both isostructural modifications (hexagonal and cubic) of ZnS and CuInS{sub 2}. It was established from the lattice parameter variations that the solid solution range of the tetragonal CuInS{sub 2} modification extends from 0 to 29 mol% ZnS, while that of the cubic modification of ZnS from 41 to 100 mol% ZnS. The crystal structure of the alloys containing 20 and 60 mol% ZnS was refined using powder diffraction. Some electric, thermoelectric and photoelectric properties of the sintered polycrystalline alloys of the CuInS{sub 2}-ZnS system were investigated. The samples from the CuInS{sub 2}-rich side exhibit high photosensitivity caused by intrinsic photojunctions in the grains of polycrystals. The alloys from the range of the coexistence of the chalcopyrite and zinc blende a phases have considerable thermopower. Models explaining the electric, thermoelectric and photoelectric properties have been suggested.

  13. Crystal structure and magnetic properties of the BaFe12−xAlxO19 (x=0.1–1.2) solid solutions

    International Nuclear Information System (INIS)

    The investigations of the crystal and magnetic structure by powder neutron diffractometry as well as the magnetic properties by vibration sample magnetometry for the BaFe12−xAlxO19 (x=0.1–1.2) solid solutions have been performed at different temperatures and magnetic fields. The atomic coordinates and lattice parameters have been Rietveld refined. The Invar effect has been observed in low temperature range (from 150 to 4.2 K). It was explained by the thermal oscillation anharmonicity of atoms. The increase of microstress value with decreasing temperature has been defined from Rietveld refinement. The Curie temperature and change of total magnetic moment per formula unit have been defined for all the compositions of the barium hexaferrites BaFe12−xAlxO19 (x=0.1–1.2) solid solutions. The magnetic structure model is proposed. The most likely reasons and the mechanism of magnetic structure formation are discussed. - Highlights: • Structure and magnetic properties for BaFe12−xAlxO19 (x=0.1–1.2) are investigated. • Atomic coordinates and lattice parameters are Rietveld refined. • Invar effect is observed below150 K. • Increase of microstress value with decreasing temperature is defined. • Curie temperature and total magnetic moment per formula unit are defined

  14. Microstructural features of the La{sub 1−x}Ca{sub x}FeO{sub 3−δ} solid solutions prepared via Pechini route

    Energy Technology Data Exchange (ETDEWEB)

    Gerasimov, E.Yu., E-mail: gerasimov@catalysis.ru [Boreskov Institute of Catalysis, Siberian Branch of the Russian Academy of Sciences, Pr. Acad. Lavrentieva 5, Novosibirsk 630090 (Russian Federation); Novosibirsk State University, Pirogova Str. 2, Novosibirsk 630090 (Russian Federation); Isupova, L.A. [Boreskov Institute of Catalysis, Siberian Branch of the Russian Academy of Sciences, Pr. Acad. Lavrentieva 5, Novosibirsk 630090 (Russian Federation); Tsybulya, S.V. [Boreskov Institute of Catalysis, Siberian Branch of the Russian Academy of Sciences, Pr. Acad. Lavrentieva 5, Novosibirsk 630090 (Russian Federation); Novosibirsk State University, Pirogova Str. 2, Novosibirsk 630090 (Russian Federation)

    2015-10-15

    Highlights: • La{sub 1−x}Ca{sub x}FeO {sub (3−δ)} (0 ≤ x ≤ 0.7) perovskite were prepared by Pechini method. • Planar defects in direction (1 0 1) were observed in the perovskite surface. • α-Fe{sub 2}O{sub 3} particles (1–10 nm) on the surface of perovskite were revealed. • Amount of α-Fe{sub 2}O{sub 3} particles on the perovskite surface grew with rising x values. - Abstract: Solid solutions with La{sub 1−x}Ca{sub x}FeO{sub 3−δ} (0 ≤ x ≤ 0.7) perovskite-like structure prepared via Pechini route have been investigated by using high resolution transmission electron microscopy and X-ray diffraction. Extended planar defects lying in (1 0 1) crystallographic planes and α-Fe{sub 2}O{sub 3} nanoparticles on the surface of perovskite microcrystals are characteristic of the samples under investigation. It was found that testing of the samples in catalytic deep CH{sub 4} oxidation process results in partial destruction of solid solutions with formation of planar defects in the bulk and α-Fe{sub 2}O{sub 3} particles on the surface.

  15. 2205双相不锈钢固溶处理工艺研究%The Technical Study of 2205 Duplex Stainless Steel Solid Solution Treatment

    Institute of Scientific and Technical Information of China (English)

    伍曦耘

    2009-01-01

    2205 duplex stainless steel was solid solution treated at different temperature between 910~1 300℃ heating for 40 min, then by water cooling or air cooling. The microstructure was observed by a metallographic microscope and α phase content and the hardness were tested, as well as the corrosion resistance was analyzed. The results showed that α phase rising in content gradually with the solid solution temperature increasing. We suggested that the optimized technology was heated at 1 070℃ for 40 min by water cooling.%2205双相不锈钢在910~1 300℃不同的温度保温40 min后,分别进行空冷或水冷固溶处理.用金相显微镜观察了2205双相不锈钢的显微组织,测定了组织α相的含量和显微硬度.结果表明:随着固溶处理温度的升高,α相含量逐渐升高.建议2205双相不锈钢的固溶处理工艺为固溶温度1 070℃,保温40 min,水冷.

  16. Preparation, physicochemical analysis and molecular modeling investigation of 2,2‧-Bipyridine: β-Cyclodextrin inclusion complex in solution and solid state

    Science.gov (United States)

    Periasamy, R.; Kothainayaki, S.; Sivakumar, K.

    2015-11-01

    Supramolecular interaction between 2,2‧-Bipyridine (BPY) and β-Cyclodextrin (β-CD) has been investigated in solution and solid state. Non-covalent interaction between BPY and β-CD was studied in solution using absorption and fluorescence spectroscopy. Inclusion complex of BPY and β-CD was prepared in solid state by co-precipitation method and it was characterized using Fourier Transform Infra-red spectroscopy (FT-IR), Thermal analysis, Scanning Electron Microscopy (SEM), Powder X-ray diffractometry (XRD) and Atomic Force Microscopy (AFM). Binding constant values and 1:1 stoichiometry of the inclusion complex were calculated using Benesi-Hildebrand plots at 303 K. Using continuous variation method the 1:1 stoichiometry has been confirmed for BPY: β-CD complex. Thermodynamic parameter, ΔG of inclusion complex formation was determined and the negative value indicated that the inclusion process was an exergonic and spontaneous process. The most probable model of BPY: β-CD inclusion complex suggested by molecular docking studies was in good agreement with the results obtained by experimental methods.

  17. Single-crystal and powder neutron diffraction study of the Fe{sub X}Mn{sub 1−X}S solid solutions

    Energy Technology Data Exchange (ETDEWEB)

    Abramova, Galina, E-mail: agm@iph.krasn.ru [Kirensky Institute of Physics, Russian Academy of Sciences, Siberian Branch, Krasnoyarsk 660036 (Russian Federation); Schefer, Juerg; Aliouane, Nadir [Paul Scherrer Institute, Laboratory for Neutron Scattering (LNS), CH-5232 Villigen PSI (Switzerland); Boehm, Martin [Institut Max von Laue – Paul Langevin, Grenoble Cedex 9 (France); Petrakovskiy, German; Vorotynov, Alexandr [Kirensky Institute of Physics, Russian Academy of Sciences, Siberian Branch, Krasnoyarsk 660036 (Russian Federation); Gorev, Mikhail [Kirensky Institute of Physics, Russian Academy of Sciences, Siberian Branch, Krasnoyarsk 660036 (Russian Federation); Institute of Engineering Physics and Radio Electronics, Siberian Federal University, pr. Svobodny 79, Krasnoyarsk 660041 (Russian Federation); Bovina, Asya [Kirensky Institute of Physics, Russian Academy of Sciences, Siberian Branch, Krasnoyarsk 660036 (Russian Federation); Sokolov, Vladimir [Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk 630090 (Russian Federation)

    2015-05-25

    Highlights: • Fe{sub X}Mn{sub 1−X}S (0 < x < 0.3) with the rock salt structure are synthesized. • Magnetic and structural properties are investigated by the neutron diffraction. • Neel temperature shift from 150 (x = 0) to 200 K (x = 0.29) are found. • The changing of the nuclear and magnetic lattice symmetry was found for Fe{sub X}Mn{sub 1−X}S (0.25 < x < 0.29). - Abstract: The α-MnS-based Fe{sub X}Mn{sub 1−X}S (0 < x < 0.3) solid solutions are synthesized and shown to be new Mott materials with the rock salt structure. Neutron diffraction data show that the chemical-pressure-induced Neel temperature shift from 150 (x = 0) to 200 K (x = 0.29) observed in these materials is accompanied by a decrease in the NaCl-type cubic lattice parameters. It is established that at the symmetry transformation in the compositions with x = 0.25 and 0.29 the structural transition occurs, which is followed by the magnetic transition. These features make the Fe{sub X}Mn{sub 1−X}S solid solutions interesting for both fundamental study of the interrelation between the magnetic, electrical, and structural properties in MnO-type strongly correlated electron systems and application.

  18. Microstructural features of the La1−xCaxFeO3−δ solid solutions prepared via Pechini route

    International Nuclear Information System (INIS)

    Highlights: • La1−xCaxFeO (3−δ) (0 ≤ x ≤ 0.7) perovskite were prepared by Pechini method. • Planar defects in direction (1 0 1) were observed in the perovskite surface. • α-Fe2O3 particles (1–10 nm) on the surface of perovskite were revealed. • Amount of α-Fe2O3 particles on the perovskite surface grew with rising x values. - Abstract: Solid solutions with La1−xCaxFeO3−δ (0 ≤ x ≤ 0.7) perovskite-like structure prepared via Pechini route have been investigated by using high resolution transmission electron microscopy and X-ray diffraction. Extended planar defects lying in (1 0 1) crystallographic planes and α-Fe2O3 nanoparticles on the surface of perovskite microcrystals are characteristic of the samples under investigation. It was found that testing of the samples in catalytic deep CH4 oxidation process results in partial destruction of solid solutions with formation of planar defects in the bulk and α-Fe2O3 particles on the surface

  19. Solution and solid-state structures of the monomeric, piano-stool mono(peralkylcyclopentadienyl)vanadium(IV) trihalides

    Energy Technology Data Exchange (ETDEWEB)

    Hammer, M.S.; Messerle, L. (Univ. of Iowa, Iowa City (USA))

    1990-05-02

    The method recently reported by Herberhold and co-workers for the high-yield preparation of (C{sub 5}Me{sub 5})VX{sub 3} (X = Cl, Br or I) by direct halogenation of (C{sub 5}Me{sub 5})V(OCO){sub 4} has been reproduced by the authors. Spectroscopic and spectrometric data for the (C{sub 5}Me{sub 5}) and C{sub 5}Me{sub 4}Et compounds and the solid-state molecular structure of ({eta}-C{sub 5}Me{sub 4}Et)VCI{sub 3} are reported. 21 refs., 1 fig., 4 tabs.

  20. Hierarchical architectures of ZnS–In{sub 2}S{sub 3} solid solution onto TiO{sub 2} nanofibers with high visible-light photocatalytic activity

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Chengbin, E-mail: chem_cbliu@hnu.edu.cn [State Key Laboratory of Chemo/Biosensing and Chemometrics, Hunan University, Changsha 410082 (China); Key Laboratory of Jiangxi Province for Persistent Pollutants Control and Resources Recycle, Nanchang Hangkong University, Nanchang 330063 (China); Meng, Deshui; Li, Yue; Wang, Longlu [State Key Laboratory of Chemo/Biosensing and Chemometrics, Hunan University, Changsha 410082 (China); Liu, Yutang, E-mail: liuyutang@126.com [College of Environmental Science and Engineering, Hunan University, Changsha 410082 (China); Luo, Shenglian [State Key Laboratory of Chemo/Biosensing and Chemometrics, Hunan University, Changsha 410082 (China); Key Laboratory of Jiangxi Province for Persistent Pollutants Control and Resources Recycle, Nanchang Hangkong University, Nanchang 330063 (China)

    2015-03-05

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

  1. Characterization investigations during mechanical alloying and sintering of Ni-W solid solution alloys dispersed with WC and Y2O3 particles

    International Nuclear Information System (INIS)

    Research highlights: → Characterization investigations on the Ni-W solid solution alloys fabricated via mechanical alloying and the evolution of the properties of the powders with increasing MA durations. → Reinforcement of the selected Ni-W powders with WC and Y2O3 particles and further MA together for 12 h. → There is no reported literature on the development and characterization of Ni-W solid solution alloys matrix composites fabricated via MA. → Sintering of the developed composites and the characterization investigations of the sintered samples. → Identification of new 'pomegranate-like' structures in the bulk of the samples. - Abstract: Blended elemental Ni-30 wt.% W powders were mechanically alloyed (MA'd) for 1 h, 3 h, 6 h, 12 h, 24 h, 36 h and 48 h in a Spex mixer/mill at room temperature in order to investigate the effects of MA duration on the solubility of W in Ni and the grain size, hardness and particle size. Microstructural and phase characterizations of the MA'd powders were carried out using X-ray diffractometer (XRD), scanning electron microscope (SEM) and transmission electron microscope (TEM). On the basis of achieved saturation on the solid solubility, hardness and particle size, the Ni-30 wt.% W powders MA'd for 48 h were chosen as the matrix which was reinforced with different amounts of WC and/or with 1 wt.% Y2O3 particles. The reinforced powders were further MA'd for 12 h. The MA'd powders were sintered at 1300 oC for 1 h under Ar and H2 gas flowing conditions. Microstructural characterizations of the sintered samples were conducted via XRD and SEM. Sintered densities were measured by using the Archimedes' method. Vickers microhardness tests were performed on both MA'd powders and the sintered samples. Sliding wear experiments were done in order to investigate wear behaviors of the sintered samples.

  2. New solid solution Pb{sub 2−x}Sr{sub x}FeV{sub 3}O{sub 11} – Synthesis, homogeneity range and characterization

    Energy Technology Data Exchange (ETDEWEB)

    Blonska-Tabero, A., E-mail: abtab@zut.edu.pl; Filipek, E., E-mail: elafil@zut.edu.pl

    2014-02-25

    Highlights: • New limited substitutional solid solution of Pb{sub 2}FeV{sub 3}O{sub 11} structure has been obtained. • It is formed by Sr{sup 2+} ions incorporation instead of Pb{sup 2+} ions in Pb{sub 2}FeV{sub 3}O{sub 11} lattice. • The homogeneity range of Pb{sub 2}xSrxFeV{sub 3}O{sub 11} for x>0 and x<1.4 has been established. • Some properties of new phase by DTA, XRD, IR and SEM/EDX methods have been studied. -- Abstract: A substitutional solid solution Pb{sub 2−x}Sr{sub x}FeV{sub 3}O{sub 11} with homogeneity range from x > 0 to x < 1.4, a good candidate to be a new component of catalysts for oxidative dehydrogenation of organic compounds, has been obtained by the solid state reaction method. It has been characterised by XRD, DTA, IR and SEM/EDX techniques. The new phase crystallizes in the monoclinic system and its unit cell volume and density decrease with increasing amount of Sr{sup 2+} ions incorporated into the crystal lattice of the matrix. Pb{sub 2−x}Sr{sub x}FeV{sub 3}O{sub 11} melts at temperatures from the range 650–700 ± 5 °C, depending on the composition. With increasing strontium content in the new phase, a slight shift of the recorded IR absorption bands towards higher wave-numbers is observed.

  3. Structural elucidation of rapid solution-mediated phase transitions in pharmaceutical solids using in situ synchrotron SAXS/WAXS.

    Science.gov (United States)

    Boetker, Johan; Rades, Thomas; Rantanen, Jukka; Hawley, Adrian; Boyd, Ben J

    2012-09-01

    In situ elucidation of kinetics of solution-mediated phase transformations using direct structural determination has been achieved using synchrotron SAXS/WAXS radiation. Using theophylline as a model drug with known phase transformation from anhydrate to monohydrate form in aqueous conditions within a few minutes, the kinetics of the structural transition were resolved at the second scale, and the results achieved agreed well with those determined using indirect approaches such as Raman spectroscopy. The recrystallization of the monohydrate in situ (due to its lower solubility) from dissolved anhydrate solution (higher solubility) is demonstrated directly, highlighting a major issue for such compounds in application. The technique has the additional benefit of having the potential to identify intermediate structures which are not readily achievable with in situ spectroscopic techniques, as well as being amenable to high throughput approaches.

  4. The effects of molecular collisions between the mobile phase and the solute in gas-solid chromatography.

    Science.gov (United States)

    Zhang, Dali; Ke, Jiajun; Lu, Lizhu

    2015-10-01

    In chromatographic processes, molecular collisions between the mobile phase and the solute result in the transfer of kinetic energy. Based on these interactions, the relationship between the gauge pressure of the carrier gas at the column inlet and the partition frequency of the solute is derived; consequently, the relationship between the column temperature and partition frequency can be obtained. These relationships have been experimentally validated. The change in the peak shape described herein has been successfully explained using this relationship: the partition frequency was calculated from the theoretical plate number of a tailing peak. We propose a new mechanism for peak tailing using plate theory, which states that as the number of plates increases, the symmetry of the peak increases. PMID:26227076

  5. Solid State Conductivity of Optimized Polypyrrole Coatings on Iron Obtained from Aqueous Sodium Salicylate Solution Determined by Impedance Spectroscopy

    OpenAIRE

    Włodarczyk, Karolina; Singer, Ferdinand; Jasiński, Piotr; Virtanen, Sannakaisa

    2014-01-01

    In this work the optimization procedure for corrosion resistance, surface analysis and electrical properties of PPy-Fe electrodes have been examined. Polypyrrole (PPy) film was electrochemically synthesized in a one step process from an aqueous solution of sodium salicylate and pyrrole with certain concentrations, different parameters and type of polymerization process. The PPy-Fe electrodes were analyzed using scanning electron microscopy (SEM) and x-ray photoelectron spectroscopy (XPS). The...

  6. 2-Amino-4-methylpyrimidine: A simple supramolecular scaffold for carboxylic acid complexes both in solid and solution states

    Energy Technology Data Exchange (ETDEWEB)

    Kumar Mahapatra, Ajit, E-mail: mahapatra574@gmail.co [Department of Chemistry, Bengal Engineering and Science University, Shibpur, Howrah 711103 (India); Sahoo, Prithidipa; Goswami, Shyamaprosad [Department of Chemistry, Bengal Engineering and Science University, Shibpur, Howrah 711103 (India); Fun, Hoong-Kun [X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang (Malaysia)

    2011-01-15

    Studies concentrating on hydrogen bonding interactions between 2-amino-4-methylpyrimidine (AMPY) with selected dicarboxylic acids have been investigated in the solid state. Two pyrimidinium-dicarboxylate organic salts with stoichiometry 1:1 [AMPY: maleic acid] and 2:1 [AMPY:D(+)-malic acid] have been prepared and characterized by X-ray crystallographic analysis. Maleic and D(+)-malic acids were found to exhibit unique supramolecular polymeric structures with AMPY involving proton transfer to the specific ring nitrogen of AMPY. As an extension, AMPY has been used to build a receptor structure 1. Receptor 1 shows binding of dicarboxylic acids in CH{sub 3}CN and represents a marginal selectivity with D(+)-malic acid. Binding interactions were investigated by UV-vis and fluorescence studies.

  7. Taxonomy of Means and Ends in Aquaculture Production—Part 2: The Technical Solutions of Controlling Solids, Dissolved Gasses and pH

    Directory of Open Access Journals (Sweden)

    Bjorgvin Vilbergsson

    2016-09-01

    Full Text Available In engineering design, knowing the relationship between the means (technique and the end (desired function or outcome is essential. The means in Aquaculture are technical solutions like airlifts that are used to achive desired functionality (an end like controlling dissolved gasses. In previous work, the authors identified possible functions by viewing aquaculture production systems as transformation processes in which inputs are transformed by treatment techniques (means and produce outputs (ends. The current work creates an overview of technical solutions of treatment functions for both design and research purposes. A comprehensive literature review of all areas of technical solutions is identified and categorized into a visual taxonomy of the treatment functions for controlling solids, controlling dissolved gasses and controlling pH alkalinity and hardness. This article is the second in a sequence of four and partly presents the treatments functions in the taxonomy. The other articles in this series present complementary aspects of this research: Part 1, A transformational view on aquaculture and functions divided into input, treatment and output functions; Part 2, The current taxonomy paper; Part 3, The second part of the taxonomy; and Part 4, Mapping of the means (techniques for multiple treatment functions.

  8. Fabrication of Nb{sub 3}Al superconducting wires by utilizing the mechanically alloyed Nb(Al){sub ss} supersaturated solid-solution with low-temperature annealing

    Energy Technology Data Exchange (ETDEWEB)

    Pan, X.F. [National Engineering Laboratory for Superconducting Material, Western Superconducting Technologies (WST) Co., Ltd., Xi’an 710018 (China); Superconducting Materials Center, Northwest Institute for Nonferrous Metal Research, Xi’an 710016 (China); Yan, G., E-mail: gyan@c-nin.com [National Engineering Laboratory for Superconducting Material, Western Superconducting Technologies (WST) Co., Ltd., Xi’an 710018 (China); Superconducting Materials Center, Northwest Institute for Nonferrous Metal Research, Xi’an 710016 (China); Qi, M. [Superconducting Materials Center, Northwest Institute for Nonferrous Metal Research, Xi’an 710016 (China); Cui, L.J. [National Engineering Laboratory for Superconducting Material, Western Superconducting Technologies (WST) Co., Ltd., Xi’an 710018 (China); Chen, Y.L.; Zhao, Y. [Key Laboratory of Magnetic Levitation Technologies and Maglev Trains (Ministry of Education of China), Superconductivity and New Energy R and D Center, Southwest Jiaotong University, Chengdu 610031 (China); Li, C.S. [Superconducting Materials Center, Northwest Institute for Nonferrous Metal Research, Xi’an 710016 (China); Liu, X.H. [National Engineering Laboratory for Superconducting Material, Western Superconducting Technologies (WST) Co., Ltd., Xi’an 710018 (China); Feng, Y.; Zhang, P.X. [National Engineering Laboratory for Superconducting Material, Western Superconducting Technologies (WST) Co., Ltd., Xi’an 710018 (China); Key Laboratory of Magnetic Levitation Technologies and Maglev Trains (Ministry of Education of China), Superconductivity and New Energy R and D Center, Southwest Jiaotong University, Chengdu 610031 (China); Liu, H.J. [Institute of Plasma Physics, Chinese Academy of Sciences (CAS), Hefei 230031 (China); and others

    2014-07-15

    Highlights: • This paper reported superconducting properties of the powder-in-tube Nb{sub 3}Al wires. • The Nb{sub 3}Al wires were made by using Nb(Al){sub ss} supersaturated solid solution powders. • The Cu-matrix Nb{sub 3}Al superconducting wires have been successfully fabricated. • The transport J{sub c} of Nb{sub 3}Al wires at 4.2 K, 10 T is up to 12,700 A/cm{sup 2}. - Abstract: High-performance Nb{sub 3}Al superconducting wire is a promising candidate to the application of high-field magnets. However, due to the production problem of km-grade wires that are free from low magnetic field instability, the Nb{sub 3}Al wires made by rapid heating, quenching and transformation (RHQT) are still not available to the large-scale engineering application. In this paper, we reported the properties of the in situ powder-in-tube (PIT) Nb{sub 3}Al superconducting wires, which were made by using the mechanically alloyed Nb(Al){sub ss} supersaturated solid solution, as well as the low temperature heat-treatment at 800 °C for 10 h. The results show that Nb{sub 3}Al superconductors in this method possess very fine grains and well superconducting properties, though a little of Nb{sub 2}Al and Nb impurities still keep being existence at present work. At the Nb{sub 3}Al with a nominal 26 at.% Al content, the onset T{sub c} reaches 15.8 K. Furthermore, a series of Nb{sub 3}Al wires and tapes with various sizes have been fabricated; for the 1.0 mm-diameter wire, the J{sub c} at 4.2 K, 10 T and 14 T have achieved 12,700 and 6900 A/cm{sup 2}, respectively. This work suggests it is possible to develop high-performance Cu-matrix Nb{sub 3}Al superconducting wires by directly using the Nb(Al){sub ss} supersaturated solid-solution without the complex RHQT heat-treatment process.

  9. Oxygen vacancy formation in CeO2 and Ce(1-x)Zr(x)O2 solid solutions: electron localization, electrostatic potential and structural relaxation.

    Science.gov (United States)

    Wang, Hai-Feng; Li, Hui-Ying; Gong, Xue-Qing; Guo, Yang-Long; Lu, Guan-Zhong; Hu, P

    2012-12-28

    Ceria (CeO(2)) and ceria-based composite materials, especially Ce(1-x)Zr(x)O(2) solid solutions, possess a wide range of applications in many important catalytic processes, such as three-way catalysts, owing to their excellent oxygen storage capacity (OSC) through the oxygen vacancy formation and refilling. Much of this activity has focused on the understanding of the electronic and structural properties of defective CeO(2) with and without doping, and comprehending the determining factor for oxygen vacancy formation and the rule to tune the formation energy by doping has constituted a central issue in material chemistry related to ceria. However, the calculation on electronic structures and the corresponding relaxation patterns in defective CeO(2-x) oxides remains at present a challenge in the DFT framework. A pragmatic approach based on density functional theory with the inclusion of on-site Coulomb correction, i.e. the so-called DFT + U technique, has been extensively applied in the majority of recent theoretical investigations. Firstly, we review briefly the latest electronic structure calculations of defective CeO(2)(111), focusing on the phenomenon of multiple configurations of the localized 4f electrons, as well as the discussions of its formation mechanism and the catalytic role in activating the O(2) molecule. Secondly, aiming at shedding light on the doping effect on tuning the oxygen vacancy formation in ceria-based solid solutions, we summarize the recent theoretical results of Ce(1-x)Zr(x)O(2) solid solutions in terms of the effect of dopant concentrations and crystal phases. A general model on O vacancy formation is also discussed; it consists of electrostatic and structural relaxation terms, and the vital role of the later is emphasized. Particularly, we discuss the crucial role of the localized structural relaxation patterns in determining the superb oxygen storage capacity in kappa-phase Ce(1-x)Zr(1-x)O(2). Thirdly, we briefly discuss some

  10. Electrochemical preparation of NiAl intermetallic compound from solid oxides in molten CaCl{sub 2} and its corrosion behaviors in NaCl aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Yin Huayi; Yu Tang; Tang Diyong; Ruan Xuefeng; Zhu Hua [School of Resource and Environmental Science, Wuhan University, Wuhan 430072 (China); Wang Dihua, E-mail: wangdh@whu.edu.cn [School of Resource and Environmental Science, Wuhan University, Wuhan 430072 (China); State Key Laboratory for Corrosion and Protection, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China)

    2012-03-15

    Highlights: Black-Right-Pointing-Pointer Stoichiometric NiAl powder was prepared by one-step electrolysis of solid NiO-NiAl{sub 2}O{sub 4} in molten CaCl{sub 2}. Black-Right-Pointing-Pointer The energy consumption was as low as 6.1 kWh (kg-NiAl){sup -1}. Black-Right-Pointing-Pointer Uniform distribution and co-reduction of Ni and Al oxide played key role for Al retaining. Black-Right-Pointing-Pointer Electrolytic NiAl powder was made into dense NiAl rod by spark plasma sintering (SPS). Black-Right-Pointing-Pointer Obtained NiAl rod was self-passivated in NaCl solution and show very high corrosion resistance. - Abstract: Nickel aluminide powders were prepared by direct electrochemical reduction of solid mixture of NiO-NiAl{sub 2}O{sub 4} (Ni:Al = 1:1 in mol) precursor in molten CaCl{sub 2} at 850 Degree-Sign C. The reduction process of the solid oxide cathode was investigated by analyzing the intermediate products using X-ray diffraction (XRD) and scanning electron microscopy (SEM). It reveals that nickel is preferentially reduced and it benefits to prevent aluminum leaving from the cathode. The products obtained at the constant cell voltage electrolysis of 3.0 V for more than 4 h were stoichiometric NiAl. The energy consumption could be as low as 6.1 kWh (kg-NiAl){sup -1} based on the applied cell voltage and the consumed electrolysis charge. Furthermore, the NiAl powders were made into a dense rod by spark plasma sintering (SPS) technique. The corrosion behaviors of the NiAl rod in 0.5 mol L{sup -1} NaCl aqueous solution at room temperature were investigated by polarization curve and ac impedance measurements. It was found that the NiAl rod had satisfactory anti-corrosion ability in the solution.

  11. Solid-state and solution-state coordination chemistry of lanthanide(III) complexes with α-hydroxyisobutyric acid.

    Science.gov (United States)

    Chen, Xiao-Yan; Goff, George S; Ewing, William C; Scott, Brian L; Runde, Wolfgang

    2012-12-17

    Despite the wide range of applications of α-hydroxyisobutyric acid (HIBA) in biochemical processes, pharmaceutical formulations, and group and elemental separations of lanthanides and actinides, the structures and geometries of lanthanide-HIBA complexes are still not well understood. We reacted HIBA with lanthanides in aqueous solution at pH = 5 and synthesized 14 lanthanide-HIBA complexes of the formula [Ln(HIBA)(2)(H(2)O)(2)](NO(3))·H(2)O (Ln = La (1), Ce (2), Pr (3), Nd (4), Sm (5), Eu (6), Gd (7), Tb (8), Dy (9), Ho (10), Er (11), Tm (12), Yb (13), Lu (14)), isolating single crystals (1-7, 10, and 11) and powders (8, 9, and 12-14). Both single-crystal and powder X-ray diffraction studies reveal a two-dimensional extended structure across the entire lanthanide series. The environment around the eight-coordinated Ln(III) atom is best described as a distorted dodecahedron, where HIBA acts as a monoanionic tridentate ligand with one carboxylato oxygen atom and one hydroxyl oxygen atom chelating to one Ln(III) center. The carboxylato oxygen atom from a second HIBA ligand bridges to a neighboring Ln(III) atom to form a two-dimensional extended structure. While the coordination mode for HIBA is identical across the lanthanide series, three different structure types are found for La, Ce-Ho, and Er-Lu. Solution characterization using (13)C NMR further confirmed a single solution complex under the crystallization conditions. Raman and UV-vis-NIR absorbance and diffuse reflectance spectra of HIBA-Ln(III) complexes were also measured.

  12. Utilization of activated carbon produced from fruit juice industry solid waste for the adsorption of Yellow 18 from aqueous solutions.

    Science.gov (United States)

    Angin, Dilek

    2014-09-01

    The use of activated carbon obtained from sour cherry (Prunus cerasus L.) stones for the removal of a basic textile dye, which is Yellow 18, from aqueous solutions at different contact times, pH values and solution temperatures was investigated. The surface area and micropore volume of chemically modified activated carbon were 1704 m(2) g(-1) and 0.984 cm(3) g(-1), respectively. The experimental data indicated that the adsorption isotherms were well described by the Langmuir equilibrium isotherm equation and the calculated adsorption capacity was 75.76 mg g(-1) at 318 K. The adsorption kinetic of Yellow 18 obeys the pseudo-second-order kinetic model. The thermodynamic parameters were calculated to estimate the nature of adsorption. The activation energy of the system was calculated as 0.71-2.36 kJ/mol. According to these results, prepared activated carbon could be used as a low-cost adsorbent to compare with the commercial activated carbon for the removal of Yellow 18 from wastewater. PMID:24656549

  13. Effect of nitrogen on the preparation (powder synthesis - sintering) and on the dielectric properties of 'MgAlON' spinel solid solutions; Role de l'azote sur l'elaboration (synthese de poudre-frittage) et les proprietes dielectriques de solutions solides spinelles de type 'MgAlON'

    Energy Technology Data Exchange (ETDEWEB)

    Morey, O

    2000-02-10

    The aim of this work is to show the effect of nitrogen on the synthesis, the sintering and the dielectric behaviour of 'MgAlON' spinel solid solutions. 'MgAlON' solid solutions (1.1 {<=} N {<=} 4.2 %) have been prepared by solid state reactions between Al{sub 2}O{sub 3}, MgO and AlN at high temperature (1450 degrees Celsius) under nitrogen atmosphere and characterized by granulometric analysis, Brunauer-Emmet-Teller (BET) surface area analysis, X-ray diffraction, scanning electron microscopy, Al{sup 27} NMR, FTIR spectroscopy and thermoluminescence. Point defects have been revealed. They are in particular due to the nitrogen amount incorporated into the structure. The O/N substitution in the anionic lattice induces a delay to the densification when the nitrogen composition increases. The dielectric properties of these materials have been studied by two methods. The first one has a macroscopic character and is destructive. It allows to know the breakdown voltage and to calculate the dielectric rigidity of the material. The second one ('SEMM': 'Scanning Electron Microscopy Mirror') has a microscopic character and is nondestructive. Its principle is based on the charge injection with an electric beam. It gives the yield of charge trapping of the material. The good behaviour of these materials to the charge injection has been correlated to the oxygen vacancies in increasing amount with the nitrogen composition. (O.M.)

  14. Speciation of uranium(VI) at the solid/solution interface: sorption modeling on zirconium silicate and zirconium oxide

    Energy Technology Data Exchange (ETDEWEB)

    Lomenech, C.; Drot, R.; Simoni, E. [Univ. Paris 11 - Inst. de Physique Nucleaire d' Orsay, Groupe de Radiochimie, Orsay (France)

    2003-07-01

    In the field of nuclear waste storage, knowledge of the sorption behavior of radionuclides onto mineral surfaces is of fundamental importance in order to evaluate environmental impacts. We have studied uranyl ion sorption mechanisms onto zirconium silicate and zirconium oxide with a double approach, coupling both macroscopic and structural investigations. The spectroscopic results, reported in a previous paper, allowed a complete determination of the different species involved in the studied sorption reactions. This paper presents the results of the macroscopic part of the study. Surface characterizations of the solids were first carried out: determination of the pH of the point of zero charge, of the surface site densities and of the surface acidity constants. The experimental retention data were then interpreted in terms of a constant capacitance model using the FITEQL code. Results from structural investigation were used to constrain the modeling. This coupled approach led to accurate reactions stoichiometry and associated sorption constants values, since they were determined with respect to different experimental results, both macroscopic and microscopic. (orig.)

  15. Structural, morphology and optical properties of Zn(1-xCdxO solid solution grown on c-plane sapphire substrate

    Directory of Open Access Journals (Sweden)

    Bchetnia A.

    2012-06-01

    Full Text Available Zn(1-xCdxO solid solutions with a composition ranging from pure ZnO up to x=0.046 have been grown on cplane sapphire substrates by using metal organic chemical vapor deposition (MO-CVD. The lattice deformation, morphology and optical properties of these films were examined in detail using high resolution X-ray diffraction, atomic force microscopy (AFM and photoluminescence (PL as Cd incorporation. Our study reveals significant microstructure modification of Zn(1-xCdxO from x≥0.7% but single phase of wurtzite structure is maintained for all films. The Pl spectra and the band gap of the Zn(1-xCdxO film show red shift to visible light range which is interpreted in terms of band gap modulation due to Cd incorporation. Increase of Cd content leads to the emission broadening with growing lower energy peak (at 10K and degraded crystallinity.

  16. Crystal structure of Ga{sub 0.5}In{sub 1.5}Se{sub 3} solid solution

    Energy Technology Data Exchange (ETDEWEB)

    Akhmedova, S. I., E-mail: seva-ahmed@mail.ru; Asadov, Yu. G.; Guseinov, G. G. [Azerbaijan National Academy of Sciences, Institute of Physics (Azerbaijan)

    2016-01-15

    A solid solution of the GaIn{sub 3}Se{sub 6} (2Ga{sub 0.5}In{sub 1.5}Se{sub 3}) composition with a hexagonal lattice (a = 7.051(3) Å, c = 19.148(2) Å, sp. gr. P6{sub 1}, z = 6, V = 824.4332(4) Å{sup 3}, ρ = 5.379(2) g/cm{sup 3}) has been synthesized as a result of alloying Ga, In, and Se elements with a metal ratio of 1: 3. It was established that six out of nine In atoms in the lattice are located in a trigonal bipyramid, while the other three In atoms and three Ga atoms have a tetrahedral coordination.

  17. Investigation of the crystal and magnetic structures of BaFe12-xAlxO19 solid solutions (x = 0.1‒1.2)

    International Nuclear Information System (INIS)

    The structure of barium ferrite BaFe12-xAlxO19 solid solutions (x = 0.1‒1.2) with iron partially replaced with diamagnetic aluminum ions has been studied by neutron diffraction. Experimental data have been collected at room temperature on a high-resolution diffractometer, which yielded precise information about the changes in the crystal and magnetic structures and data on the behavior of the sample microstructure. Barium hexaferrite retains a magnetoplumbite structure in the entire range of aluminum concentrations under study, and its magnetic structure is described within the Gorter model, with moments orientated along the hexagonal axis. The total magnetic moment per formula unit decreases while diamagnetic aluminum ions substitute for iron ions. Microstrains in crystallites increase with an increase in the diamagnetic ion concentration, which is related to the difference in the ionic radii of iron and aluminum ions

  18. Thermal Stability and Reductive Property of CexZr1-xO2 Solid Solution Doped Simultaneously by Fe, Mn or Fe, Cu

    Institute of Scientific and Technical Information of China (English)

    Yan Zhongjun; Yang Dong; Wen Mingfen; Chen Jing; Wang Jinggang; Gu Yongwan

    2005-01-01

    CexZr1-xO2 complex oxides doped by transition metal(Fe, Mn, Cu) were prepared by precipitation method. Thermal stability of samples was characterized by XRD, surface areas were measured by BET method and reductive property was characterized by TPR. The results show that MnO2 can be dispersed in solid solution after calcined at 1273 K, when the loading is 12%, while Fe and Cu is easy to separate from samples at this temperature. Samples doped simultaneously by Fe, Mn or Fe, Cu demonstrated high reactive property at low temperature. The starting reduction temperature are 413 and 373 K, respectively. TPR results also show a broad range of reductive temperature exists in these bi-metal doped samples.

  19. Theoretical and Experimental Study on Boron β-Diketonate Complexes with Intense Two-Photon-Induced Fluorescence in Solution and in the Solid State.

    Science.gov (United States)

    Lanoë, Pierre-Henri; Mettra, Bastien; Liao, Yuan Yuan; Calin, Nathalie; D'Aléo, Anthony; Namikawa, Tomotaka; Kamada, Kenji; Fages, Fréderic; Monnereau, Cyrille; Andraud, Chantal

    2016-07-18

    Three boron diketonate chromophores with extended π-conjugated backbone were prepared and their spectroscopic features were investigated through a combined theoretical/experimental study. It was shown that these complexes, which undergo very large electronic reorganization upon photoexcitation, combine large two-photon absorption cross section with an emission energy and quantum efficiency in solution that is strongly dependent on solvent polarity. The strong positive influence of boron complexation on the magnitude of the two-photon absorption was clearly established, and it was shown that the two-photon absorption properties were dominated by the quadrupolar term. For one of the synthesized compounds, intense one- and two-photon-induced solid-state emission (fluorescence quantum yield of 0.65 with maximum wavelength of 610 nm) was obtained as a result of antiparallel J-aggregate crystal packing. PMID:26990918

  20. Neutron diffraction study of the Sr 1-xBi xF 2+x solid solution quenched from 700°C : Proposition of a clustering process

    Science.gov (United States)

    Soubeyroux, J. L.; Réau, J. M.; Wahbi, M.; Sénégas, J.; Soo, Suh Kyung

    1992-07-01

    A neutron diffraction investigation of the fluorite-type Sr 1-xBi xF 2+x (0 ⩽ x ≲ 0.50) solid solution has revealed the existence of three F' F″ and F'″ interstitial flouride ions. The anionic distribution between normal and interstitial sites has been determined as a function of x. A clustering process has been proposed in Sr 1-xBi xF 2+x on the basis of neutron diffraction results and of the composition dependence of electrical properties. It consists in a progressive transformation with increasing x of 3:2:3:0 clusters into "1:0:3:0" clusters.

  1. Preparation of solid-solution type Fe-Co nanoalloys by synchronous deposition of Fe and Co using dual arc plasma guns.

    Science.gov (United States)

    Sadakiyo, Masaaki; Heima, Minako; Yamamoto, Tomokazu; Matsumura, Syo; Matsuura, Masashi; Sugimoto, Satoshi; Kato, Kenichi; Takata, Masaki; Yamauchi, Miho

    2015-09-28

    We succeeded in the efficient preparation of well-dispersed Fe-Co nanoalloys (NAs) using the arc plasma deposition method. Synchronous shots of dual arc plasma guns were applied to a carbon support to prepare the solid-solution type Fe-Co NAs having an approximately 1 : 1 atomic ratio. The alloy structures with and without a reductive thermal treatment under a hydrogen atmosphere were examined using X-ray powder diffraction, scanning transmission electron microscopy (STEM) combined with energy-dispersive X-ray analysis, high resolution STEM, and magnetic measurements, suggesting that highly crystalline spherical particles of ordered B2-type Fe-Co NAs form by the thermal treatment of the deposited grains. PMID:26293826

  2. Preparation of nano-Cr2-xAlxO3 (x = 0-1) solid solution powders by using citrate-dispersant method

    International Nuclear Information System (INIS)

    A series of nano-Cr2-xAlxO3 (x = 0-1) solid solution powders were prepared by sol-gel-chelating processing with citrate-dispersant method. The crystalline structure and size of the Cr2-xAlxO3 powders were determined by X-ray diffraction and transmission electron microscopy. It was demonstrated that the crystalline size of the Cr2-xAlxO3 powders decreases from 33 nm to 13 nm with an increase in the amount of Al2O3 substitution. The aluminum in the lattice of the Cr2-xAlxO3 can effectively prevent the crystalline growth of the Cr2-xAlxO3 powders during calcining at higher temperature.

  3. Investigation of the first-order phase transition in the Co(1-x)Mg(x)MoO4 solid solution and discussion of the associated thermochromic behavior.

    Science.gov (United States)

    Robertson, L C; Gaudon, M; Jobic, S; Deniard, P; Demourgues, A

    2011-04-01

    A series of compounds of Co(1-x)Mg(x)MoO(4) compositions has been prepared by a conventional ceramic route. The members of the whole solid solution exhibit a reversible first-order phase transition which was probed by using thermal expansion and low-temperature reflectivity techniques. Whereas the α → β transition temperature evolves linearly on warming from 435 to 200 °C with x going from 0 to 0.9, the β → α transition temperature variation falls down on cooling from -40 °C to -140 °C going from CoMoO(4) to Co(0.1)Mg(0.9)MoO(4) with an asymptotic evolution. The phase transition temperatures have been explained on the basis of a crystal polarization effect under substitution of Mg for Co. Thus, from an applicative point of view, new thermochromic pigments with tunable transition temperatures are here proposed. PMID:21388181

  4. The Role of ZnP2 Nanoclusters in the Vibrational Properties of Cd x Zn(1 - x)P2 Solid Solutions

    Science.gov (United States)

    Shportko, K.; Shoukavaya, T.; Trukhan, V.; Baran, J.; Starik, S.; Venger, E.

    2016-09-01

    This study reports an analysis of the IR reflectance and Raman spectra of Cd x Zn(1 - x)P2 solid solutions. We have analyzed the effect of the doping of the CdP2 single crystal by the ZnP2 nanoclusters on the vibrational properties of studied samples: ɛ 0, ɛ inf, phonon frequencies, and strengths. These dependencies might be used as an alternative non-destructive way for the control of the Cd x Zn(1 - x)P2 composition. The obtained results show that variation of the concentration of ZnP2 nanoclusters opens a space to design the tailored material properties for the industrial applications.

  5. Optical and photothermal investigations of Zn{sub 1-x-y}Be{sub x}Mn{sub y}Se solid solutions

    Energy Technology Data Exchange (ETDEWEB)

    Firszt, Franciszek; Strzalkowski, Karol; Zakrzewski, Jacek; Legowski, Stanislaw; Meczynska, Hanna [Institute of Physics, N. Coperninus University, Grudziadzka 5, 87-100 Torun (Poland); Malinski, Miroslaw [Department of Electronics, Technical University Koszalin, Sniadeckich 2, 75-328 Koszalin (Poland); Dumcenco, Dumitru; Huang, Chen-Tai; Huang, Ying-Sheng [Department of Electronic Engineering, National Taiwan University of Science and Technology, Taipei 106 (China)

    2010-06-15

    Quaternary Zn{sub 1-x-y}Be{sub x}Mn{sub y}Se solid solutions were grown from the melt by the high pressure Bridgman method in the range of composition 0 < x < 0.24, 0 < y < 0.45. Luminescence and photothermal properties of this material were investigated. From the spectral dependence of the amplitude and phase of photoacoustic signal as well as from photoluminescence (PL) spectra the variation of energy gap with composition was determined. The photoluminescence-excitation (PLE) spectra were measured and the origin of luminescence in Zn{sub 1-x-y}Be{sub x}Mn{sub y}Se was discussed. (Abstract Copyright [2010], Wiley Periodicals, Inc.)

  6. The Role of ZnP2 Nanoclusters in the Vibrational Properties of Cd x Zn(1 - x)P2 Solid Solutions.

    Science.gov (United States)

    Shportko, K; Shoukavaya, T; Trukhan, V; Baran, J; Starik, S; Venger, E

    2016-12-01

    This study reports an analysis of the IR reflectance and Raman spectra of Cd x Zn(1 - x)P2 solid solutions. We have analyzed the effect of the doping of the CdP2 single crystal by the ZnP2 nanoclusters on the vibrational properties of studied samples: ε 0, ε inf, phonon frequencies, and strengths. These dependencies might be used as an alternative non-destructive way for the control of the Cd x Zn(1 - x)P2 composition. The obtained results show that variation of the concentration of ZnP2 nanoclusters opens a space to design the tailored material properties for the industrial applications. PMID:27659952

  7. Measurement of the thermodynamic properties of saturated solid solutions of compounds in the Ag-Sn-Se system by the EMF method

    Science.gov (United States)

    Moroz, M. V.; Prokhorenko, M. V.

    2015-08-01

    The dependence of the EMF ( E) of galvanic cells Ag|AgI|Ag2GeS3 glass| D on temperature (where Ag, D denotes the electrodes of an electrochemical cell; D represents equilibrium two- and three-phase alloys of the Ag-Sn-Se system; and AgI|Ag2GeS3 glass is a bilayer membrane with purely ionic (Ag+) conductivity) is studied in the range of 480-580 K. Analytical equations of E( T) are used to calculate the values of the thermodynamic functions of saturated solid solutions of the SnSe, β-Ag2Se, AgSnSe2, and Ag8SnSe6 phases of the Ag-Sn-Se system in the standard state.

  8. Study of β-cyclodextrin inclusion complexes with volatile molecules geraniol and α-terpineol enantiomers in solid state and in solution

    Science.gov (United States)

    Ceborska, Magdalena; Szwed, Kamila; Asztemborska, Monika; Wszelaka-Rylik, Małgorzata; Kicińska, Ewa; Suwińska, Kinga

    2015-11-01

    Geraniol and α-terpineol are insoluble in water volatile compounds. α-Terpineol is a potentially important agent for medical applications. Formation of molecular complexes with β-cyclodextrin would lead to the increase of water solubility and bioavailability. β-Cyclodextrin forms 2:2 inclusion complexes with both enantiomers of α-terpineol and their precursor geraniol. Solid state complexes are thoroughly characterized by single X-ray crystallography and their stability over vast range of temperatures is proven by TG analysis. Intermolecular host-guest, host-host and guest-guest interactions give good insight into the nature of formed inclusion complexes. Stability constants of the complexes in solution are determined by HPLC.

  9. Extracting the cation distributions in NiFe2−xAlxO4 solid solutions using magnetic Compton scattering

    International Nuclear Information System (INIS)

    We discuss the ground state electronic structure and magnetization properties of a series of NiFe2−xAlxO4 solid solutions (x  =  0.0, 0.4, 0.8, 1.2, 1.6, and 2.0) using magnetic Compton scattering measurements, together with parallel first-principles computations. In this way, we systematically extract the complicated cation distributions in this ferrite system as a function of x. The relationship between the electronic ground state, magnetism, and cation distributions is explained in terms of a model, validated by our first-principles computations, wherein the magnetic properties of the three cation distributions are assumed to be different. A good accord is found between the computed and measured magnetic Compton profiles. (paper)

  10. Synthesis and electrical conductivity of (La1−xSrx(Al1−yMgyO3−δ perovskite solid solution

    Directory of Open Access Journals (Sweden)

    Yoshihiro Hirata

    2014-06-01

    Full Text Available Perovskite solid solution powders with (La1−xSrx(Al1−yMgyO3−δ composition (shorten as LSAM were prepared by a coprecipitation method using corresponding aqueous solutions and ammonium carbonate solution. The freeze-dried powders were heated in air at 1500 °C for 10 h, and subsequently sintered at 1400 °C for 12 h in air. The X-ray diffraction patterns and the lattice parameters for the compositions of x = 0–0.4 at y = 0.1 and y = 0–0.15 at x = 0.2 suggested the formation of rhombohedral LaAlO3 solid solution. The sinterability of LSAM was controlled by the diffusion rate of A site cations and increased by increasing Sr composition at A site and by decreasing Mg composition at B site. The highest electrical conductivity was measured at the composition of (La0.8Sr0.2(Al0.9Mg0.1O2.85 (6.79 × 10−3 S/cm at 600 °C, activation energy 98.8 kJ/mol. Although the sintered (La0.8Sr0.2(Al0.9Mg0.1O2.85 electrolyte contained 28% porosity, its conductivity was higher than the conductivity of dense 8 mol% yttria-stabilized zirconia electrolyte. The conductivity and activation energy of LSAM greatly vary according to the concentration of available oxygen vacancy and the association of positively charged oxygen vacancy and negatively charged Sr′La sites or Mg′Al sites. The LSAM composition of (La0.8Sr0.2(Al0.9Mg0.1O2.85 provided the perovskite structure of the smaller strain (tolerance factor 1.007. This is another factor for the highest conductivity.

  11. Laser-clad Ni70Al20Cr7Hf3 alloys with extended solid solution of Hf: Part I. Microstructure evolution

    Science.gov (United States)

    Sircar, S.; Ribaudo, C.; Mazumder, J.

    1989-11-01

    Coatings for superalloys for extended service in atmospheres at high temperature are of great interest at present. The addition of reactive elements (RE’s) such as Hf to these coatings has a pronounced effect on their high-temperature oxidation resistance. A laser-cladding technique was used to produce Ni-Al-Cr-Hf alloys with an extended solid solution of Hf in a nearstoichiometric Ni3Al matrix. A 10 kW CO2 laser with mixed powder feed was used for the cladding process. Scanning electron microscope (SEM), transmission electron microscope (TEM), and scanning transmission electron microscope (STEM) were employed for studies of microstructural evolution of alloys produced during the laser-cladding process. Microstructural studies reveal the formation of dendrites with a solid solubility of about 11 to 14 wt pct Hf and also a eutectic structure. Convergent-beam techniques and X-ray spectroscopy have been applied to characterize the phases formed during the cladding process.

  12. Microanalytical techniques applied to phase identification and measurement of solute redistribution at the solid/liquid interface of frozen Fe-4.3Ni doublets

    CERN Document Server

    Faryna, M; Okane, T

    2002-01-01

    A Fe-4.3M alloy has been solidified directionally by using the Bridgman system. The solidification conditions were chosen to obtain an oriented cellular structure of delta-ferrite. These are: a positive temperature gradient of about 60 K/cm and a growth rate of 6.6 mu m/s. A change in these conditions can lead either to the formation of austenite or to the competitive growth of delta-ferrite/gamma-austenite. The solid/liquid interface of delta-ferrite cells has been frozen and double instability has been revealed at the tip of the cells. The instability is described as the first harmonic wave of fundamental undulation, which appeared at the formerly planar solid/liquid interface. This means that a doublet structure is formed only with the imposed specific conditions of solidification. The Ni-solute redistribution after back-diffusion has been measured across the delta-ferrite doublet. Results of energy dispersive x-ray (EDX) measurements on the distribution of Ni and Fe correspond well to the theoretical pred...

  13. Temperature- and Frequency-Dependent Dielectric Properties of Sol-Gel-Derived BaTiO3-NaNbO3 Solid Solutions

    Science.gov (United States)

    Kwon, Do-Kyun; Goh, Yumin; Son, Dongsu; Kim, Baek-Hyun; Bae, Hyunjeong; Perini, Steve; Lanagan, Michael

    2016-01-01

    A sol-gel-derived powder synthesis method has been used to prepare BaTiO3-NaNbO3 (BT-NN) solid-solution ceramic samples with various compositions. Fine and homogeneous complex perovskite ceramics were obtained at lower processing temperatures than used in conventional solid-state processing. The ferroelectric and relaxor ferroelectric properties of the sol-gel-synthesized (1 - x)BaTiO3- xNaNbO3 [(1 - x)BT- xNN] ceramics in the wide composition range of 0 Curie temperature, Burns temperature, freezing temperature, γ, diffuseness parameter ( δ), and activation energy were determined from the temperature and frequency dependency of the real part of the dielectric permittivity for various BT-NN compositions using the Curie-Weiss law and Vögel-Fulcher relationship. The systematic changes of these parameters with respect to composition indicate that a continuous crossover between BT-based relaxor and NN-based relaxor occurs at a composition near x = 0.4.

  14. Non-oxo vanadium(IV) alkoxide chemistry: solid state structures, aggregation equilibria and thermochromic behaviour in solution.

    Science.gov (United States)

    Westrup, Kátia C M; Gregório, Thaiane; Stinghen, Danilo; Reis, Dayane M; Hitchcock, Peter B; Ribeiro, Ronny R; Barison, Andersson; Back, Davi F; de Sá, Eduardo L; Nunes, Giovana G; Soares, Jaísa F

    2011-04-01

    The reversible thermochromic behaviour of homoleptic [{V(OR)(4)}(n)] complexes in solution [R = Pr(i) (product I), Bu(s) (B(s)), Nep (N) and Cy (C)] is accounted for the existence of an aggregation equilibrium involving dimeric and monomeric species in which vanadium(iv) is respectively five- and four-coordinate. Bulky R groups such as Bu(t) and Pe(t) (tert-pentoxide) prevent aggregation and therefore give rise to exclusively mononuclear compounds (B(t) and P(t), respectively) that are not thermochromic. The complexes and their temperature-dependent interconversion were characterised by single crystal X-ray diffractometry, magnetic susceptibility measurements and electronic, FTIR and EPR spectroscopies in a wide temperature range. Equilibrium constants and enthalpy and entropy changes for the dimerization reactions have been determined and compared with literature data. PMID:21347465

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2010-07-01

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

  16. Structural Characterization of the β-Cu 2V 2O 7- α-Zn 2V 2O 7 Solid Solution

    Science.gov (United States)

    Schindler, Michael; Hawthorne, Frank C.

    1999-08-01

    (Zn2-xCux)V2O7 solid-solutions were synthesized by heating to 1000°C, cooling to 750°C, and then quenching. Powder-diffraction patterns and the single-crystal structure refinements of (Cu0.56Zn1.44)V2O7, (Cu1.0Zn1.0)V2O7, and (Cu1.53Zn0.47)V2O7 show that the solid-solution series between α-Zn2V2O7 and β-Cu2V2O7 is complete and that there is no phase transition. With substitution of Zn by Cu2+, a and b lattice constants increase and decrease, respectively, while c lattice constant and cell volume (V) do not change. This results from elongation of the (MO5) square pyramid (M=Zn, Cu2+) and from rotation of the vanadate tetrahedra. In order to form the elongated square-pyramid that must accompany increasing substitution of Zn by Cu2+, the apical M-O bond length increases and decreases its incident bond valence at M2+. The resulting bond-valence deficit is compensated by shortening of the equatorial M-O bond lengths. The response of the α-Zn2V2O7/β-Cu2V2O7 framework to the strain produced by elongation of the square pyramid involves coupled clockwise and counter clockwise rotations of the (VO4) tetrahedra, accounting for the constant cell volumes and increase and decrease of the a and b lattice constants, respectively. This cooperative response is possible because there are no symmetry restrictions on the rotation of the (VO4) tetrahedra.

  17. 固溶体型高熵合金的形成条件%Formation condition of solid solution type high-entropy alloy

    Institute of Scientific and Technical Information of China (English)

    任明星; 李邦盛; 傅恒志

    2013-01-01

    研究高熵合金形成固溶体型组织的条件.制备17种不同成分的高熵合金,计算合金相组成影响因素(综合原子半径差δ、混合焓△H和混合熵△S),利用SEM和XRD分析合金的显微组织及相组成.结果表明:只有满足δ≤2.77和△H≥-8.8 kJ/mol的体系,才会形成固溶体型高熵合金,否则合金中出现金属间化合物.选择元素类型对高熵合金的组织结构和性能具有重要影响.%Formation condition of high-entropy alloys with solid solution structure was investigated.Seventeen kinds of the high-entropy alloys with different components were prepared,the influencing factors (the comprehensive atomic radius difference δ,the mixing enthalpy △H and the mixing entropy △S) of phase composition of the alloys were calculated,and the microstructure and phase compositions of alloys were analyzed by using SEM and XRD.The result shows that only the systems with δ≤2.77 and △H≥-8.8 kJ/mol will form high entropy alloy with simple solid solution.Otherwise,intermetallic compounds will exist in the alloys.So,selection of the type of element has important effects on microstructure and properties of high entropy alloys.

  18. Heterojunction of Zinc Blende/Wurtzite in Zn1-xCdxS Solid Solution for Efficient Solar Hydrogen Generation: X-ray Absorption/Diffraction Approaches.

    Science.gov (United States)

    Hsu, Ying-Ya; Suen, Nian-Tzu; Chang, Chung-Chieh; Hung, Sung-Fu; Chen, Chi-Liang; Chan, Ting-Shan; Dong, Chung-Li; Chan, Chih-Chieh; Chen, San-Yuan; Chen, Hao Ming

    2015-10-14

    In the past decade, inorganic semiconductors have been successfully demonstrated as light absorbers in efficient solar water splitting to generate chemical fuels. Pseudobinary semiconductors Zn1-xCdxS (0≤x≤1) have exhibited a superior photocatalytic reactivity of H2 production from splitting of water by artificial solar irradiation without any metal catalysts. However, most studies had revealed that the extremely high efficiency with an optimal content of Zn1-xCdxS solid solution was determined as a result of elevating the conduction band minimum (CBM) and the width of bandgap. In addition to corresponding band structure and bandgap, the local crystal structure should be taken into account as well to determine its photocatalytic performance. Herein, we demonstrated the correlations between the photocatalytic activity and structural properties that were first studied through synchrotron X-ray diffraction and X-ray absorption spectroscopy. The crystal structure transformed from zinc blende to coexisted phases of major zinc blende and minor wurtzite phases at a critical point. The heterojunction formed by coexistence of zinc blende and wurtzite phases in the Zn1-xCdxS solid solution can significantly improve the separation and migration of photoinduced electron-hole pairs. Besides, X-ray absorption spectra and UV-vis spectra revealed that the bandgap of the Zn0.45Cd0.55S sample extended into the region of visible light because of the incorporation of Cd element in the sample. These results provided a significant progress toward the realization of the photoelectrochemical mechanism in heterojunction between zinc blende and wurtzite phases, which can effectively separate the charge-carriers and further suppress their recombination to enhance the photocatalytic reactivity. PMID:26402651

  19. Structural characterization of the β-Cu2V2O7-α-Zn2V2O7 solid solution

    International Nuclear Information System (INIS)

    (Zn2-xCux)V2O7 solid-solutions were synthesized by heating to 1000 C, cooling to 750 C, and then quenching. Powder-diffraction patterns and the single-crystal structure refinements of (Cu0.56Zn1.44)V2O7, (Cu1.0Zn1.0V2O7, and (Cu1.53Zn0.47)V2)7 show that the solid-solution series between α-Zn2V2O7 and β-Cu2V2O7 is complete and that there is no phase transition. With substitution of Zn by Cu2+, a and b lattice constants increase and decrease, respectively, while c lattice constant and cell volume (V) do not change. This results from elongation of the (MO5) square pyramid (M = Zn, Cu2+) and from rotation of the vanadate tetrahedra. In order to form the elongated square-pyramid that must accompany increasing substitution of Zn by Cu2+, the apical M-O bond length increases and decreases its incident bond valence at M2+. The resulting bond-valence deficit is compensated by shortening of the equatorial M-O bond lengths. The response of the α-Zn2V2O7/β-Cu2V2O7 framework to the strain produced by elongation of the square pyramid involves coupled clockwise and counter clockwise rotations of the (VO4) tetrahedra, accounting for the constant cell volumes and increase and decrease of the a and b lattice constants, respectively. This cooperative response is possible because there are no symmetry restrictions on the rotation of the (VO4) tetrahedra

  20. Effect of local environment on crossluminescence kinetics in SrF{sub 2}:Ba and CaF{sub 2}:Ba solid solutions

    Energy Technology Data Exchange (ETDEWEB)

    Terekhin, M.A. [P.N. Lebedev Physical Institute, Leninskij Prospekt 53, 119991 Moscow (Russian Federation); Makhov, V.N., E-mail: makhov@sci.lebedev.ru [P.N. Lebedev Physical Institute, Leninskij Prospekt 53, 119991 Moscow (Russian Federation); Lebedev, A.I.; Sluchinskaya, I.A. [Lomonosov Moscow State University, Moscow 119991 (Russian Federation)

    2015-10-15

    Spectral and kinetic properties of extrinsic crossluminescence (CL) in SrF{sub 2}:Ba (1%) and CaF{sub 2}:Ba (1%) are compared with those of intrinsic CL in BaF{sub 2} and are analyzed taking into account EXAFS data obtained at the Ba L{sub III} edge and results of first-principles calculations. The CL decay time was revealed to be longer in SrF{sub 2}:Ba and CaF{sub 2}:Ba compared to BaF{sub 2}. This fact contradicts the expected acceleration of luminescence decay which could result from an increased overlap of wave functions in solid solutions due to shortening of the Ba-F distance obtained in both EXAFS measurements and first-principles calculations. This discrepancy is explained by the effect of migration and subsequent non-radiative decay of the Ba (5p) core holes in BaF{sub 2} and by decreasing of the probability of optical transitions between Ba (5p) states and the valence band in SrF{sub 2}:Ba and CaF{sub 2}:Ba predicted by first-principles calculations. - Highlights: • The crossluminescence kinetics in SrF{sub 2}:Ba and CaF{sub 2}:Ba is slower than in BaF{sub 2}. • Ba{sup 2+} ions substitute for host Ca{sup 2+}(Sr{sup 2+}) ions in the on-center positions. • The nearest Ba-F distances in SrF{sub 2}:Ba and CaF{sub 2}:Ba are shorter than in BaF{sub 2}. • EXAFS data and first-principles calculations of the local structure agree well. • First-principles calculations explain slower luminescence decay in solid solutions.