WorldWideScience

Sample records for cubic solid solution

  1. Thermodynamic properties of the cubic plutonium hydride solid solution

    Energy Technology Data Exchange (ETDEWEB)

    Haschke, J M

    1981-12-01

    Pressure, temperature, and composition data for the cubic solid solution plutonium hydride phase, PuH/sub x/, have been measured by microbalance methods. Integral enthalpies and entropies of formation have been evaluated for the composition range 1.90 less than or equal to X less than or equal to 3.00. At 550/sup 0/K, ..delta..H/sup 0/ /sub f/(PuH/sub x/(s)) varies linearly from approximately (-38 +- 1) kcal mol/sup -1/ at PuH/sub 190/ to (-50 +- 1 kcal mol/sup -1/) at PuH/sub 3/ /sub 00/. Thermochemical values obtained by reevaluating tensimetric data from the literature are in excellent agreement with these results. Isotopic effects have been quantified by comparing the results for hydride and deuteride, and equations are presented for predicting ..delta..H/sup 0/ /sub f/ and ..delta..S/sup 0/ /sub f/ values for PuH/sub x/(s) and PuD/sub x/(s).

  2. Growth, Nitrogen Vacancy Reduction and Solid Solution Formation in Cubic GaN Thin Films and the Subsequent Fabrication of Superlattice Structures Using AIN and InN

    Science.gov (United States)

    1992-12-01

    AD-A258 804 Final Technical Report Ii Growth, Nitrogen Vacancy Reduction and Solid Solution Formation in Cubic GaN Thin Films and the Subsequent...Technical 6/1/86-12/31/92 4. TITLE AND SUBTITLE Growth, Nitrogen Vacancy Reduction and 5. FUNDING NUMBERS Solid Solution Formation in Cubic GaN Thin...According to the structural and chemical analyses, there is no reason to believe that a homogeneous solid solution close to this composition had

  3. Growth, Nitrogen Vacancy Reduction and Solid Solution Formation in Cubic GaN Thin Films and the Subsequent Fabrication of Superlattice Structures Using AlN and InN

    Science.gov (United States)

    1992-06-01

    AD-A253 331 Semiannual Report Growth, Nitrogen Vacancy Reduction and Solid Solution Formation in Cubic GaN Thin Films and the Subsequent Fabrication...Growth, Nitrogen Vacancy Reduction and Solid Solution Formation in Cubic GaN Thin Films and the Subsequent Fabrication of Superlattice Structures Using...34 substrates, such as using a graded AlxGal-xN solid solution as a buffer layer. E. Conclusion We have shown that in the use of our modified gas source MBE

  4. 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

  5. Face Centred Cubic Multi-Component Equiatomic Solid Solutions in the Au-Cu-Ni-Pd-Pt System

    Directory of Open Access Journals (Sweden)

    Jens Freudenberger

    2017-04-01

    Full Text Available A single-phase solid solution is observed in quaternary and quinary alloys obtained from gold, copper, nickel, palladium and platinum. The lattice parameters of the alloys follow the linear rule of mixture when considering the lattice parameters of the elements and their concentration. The elements are a priori not homogeneously distributed within the respective alloys resulting in segregations. These segregations cause a large broadening of X-ray lines, which is accessed in the present article. This correlation is visualized by the help of local element mappings utilizing scanning electron microscopy including energy dispersive X-ray analysis and their quantitative analysis.

  6. Composition design for Laves phase-related body-centered cubic-V solid solution alloys with large hydrogen storage capacities.

    Science.gov (United States)

    Wang, H B; Wang, Q; Dong, C; Yuan, L; Xu, F; Sun, L X

    2008-03-19

    This paper analyzes the characteristics of alloy compositions with large hydrogen storage capacities in Laves phase-related body-centered cubic (bcc) solid solution alloy systems using the cluster line approach. Since a dense-packed icosahedral cluster A(6)B(7) characterizes the local structure of AB(2) Laves phases, in an A-B-C ternary system, such as Ti-Cr (Mn, Fe)-V, where A-B forms AB(2) Laves phases while A-C and B-C tend to form solid solutions, a cluster line A(6)B(7)-C is constructed by linking A(6)B(7) to C. The alloy compositions with large hydrogen storage capacities are generally located near this line and are approximately expressed with the cluster-plus-glue-atom model. The cluster line alloys (Ti(6)Cr(7))(100-x)V(x) (x = 2.5-70 at.%) exhibit different structures and hence different hydrogen storage capacities with increasing V content. The alloys (Ti(6)Cr(7))(95)V(5) and Ti(30)Cr(40)V(30) with bcc solid solution structure satisfy the cluster-plus-glue-atom model.

  7. Analytical solutions for anisotropic time-dependent heat equations with Robin boundary condition for cubic-shaped solid-state laser crystals.

    Science.gov (United States)

    Sabaeian, Mohammad

    2012-10-20

    The problem of finding analytical solutions for time-dependent or time-independent heat equations, especially for solid-state laser media, has required a lot of work in the field of thermal effects. However, to calculate the temperature distributions analytically, researchers often have to make some approximations or employ complex methods. In this work, we present full analytical solutions for anisotropic time-dependent heat equations in the Cartesian coordinates with various source terms corresponding to various pumping schemes. Moreover, the most general boundary condition of Robin (or impedance boundary condition), corresponding to the convection cooling mechanism, was applied. This general condition can be easily switched to constant temperature and thermal insulation as special cases. To this end, we first proposed a general approach to solving time-dependent heat equations with an arbitrary heat source. We then applied our approach to explore the temperature distribution for three cases: steady-state pumping or long transient, single-shot pumping or short transient, and repetitively pulsed pumping. Our results show the possibility of an easier and more accurate approach to analytical calculations of the thermal dispersion, thermal stresses (strains), thermal bending, thermal phase shift, and other thermal effects.

  8. Exact solutions for the cubic-quintic nonlinear Schroedinger equation

    Energy Technology Data Exchange (ETDEWEB)

    Zhu Jiamin [Department of Physics, Zhejiang Lishui University, Lishui 323000 (China)]. E-mail: zjm64@163.com; Ma Zhengyi [Department of Physics, Zhejiang Lishui University, Lishui 323000 (China); Institute of Applied Mathematics and Mechanics, Shanghai University, Shanghai 200072 (China)

    2007-08-15

    In this paper, the cubic-quintic nonlinear Schroedinger equation is solved through the extended elliptic sub-equation method. As a consequence, many types of exact travelling wave solutions are obtained which including bell and kink profile solitary wave solutions, triangular periodic wave solutions and singular solutions.

  9. Global infinite energy solutions for the cubic wave equation

    OpenAIRE

    Burq, N.; L. Thomann; Tzvetkov, N.

    2012-01-01

    International audience; We prove the existence of infinite energy global solutions of the cubic wave equation in dimension greater than 3. The data is a typical element on the support of suitable probability measures.

  10. Interpolating solutions in cubic superstring field theory

    CERN Document Server

    Arroyo, E Aldo

    2016-01-01

    Performing a gauge transformation of an identity based solution, we construct a one-parameter family of solutions, and by evaluating the energy associated to these solutions, we show that depending on the value of the parameter, the solution interpolates between three distinct gauge orbits corresponding to the perturbative vacuum, the half brane and the tachyon vacuum solution.

  11. Ion conductivity in cubically-stabilized fluorite-like structured Er5CeMoO12.5 and Yb5MMoO12.5 (M = Ce, Zr) solid solutions

    Science.gov (United States)

    Schildhammer, Daniel; Fuhrmann, Gerda; Petschnig, Lucas; Kogler, Michaela; Penner, Simon; Weinberger, Nikolaus; Schottenberger, Herwig; Huppertz, Hubert

    2016-12-01

    For the first time, the usually rhombohedral R 3 bar (no. 148) defect fluorite structured rare earth molybdenum oxides RE6MoO12 (RE = Er, Yb) could be stabilized in the cubic defect fluorite structure Fm 3 bar m (no. 225) through partial substitution of Er3+ and Yb3+ by M4+ cations with M4+ = Ce for Er6MoO12 and M4+ = Ce, Zr for Yb6MoO12. The solution combustion (SC) method and the classical solid state reaction are the synthetic approaches that were used (ambient atmosphere and temperatures of 1250 °C). The obtained oxide powders were characterized by energy dispersive X-ray (EDX) analysis, powder X-ray diffraction (PXRD), IR, and UV-Vis spectroscopy. The PXRD-data were used for Rietveld refinements. Electrochemical impedance spectroscopy (EIS) was conducted to identify oxygen vacancies in the cubic structure type, revealing oxygen ion conductivity starting at 500 °C. Additionally, the influence on ion conductivity by the cation substitutions are discussed. Calculation of the contributing activation energies for the bulk (best value for Yb5CeMoO12.5 is 119.8 kJmol-1), and the grain boundary (e.g. Er5CeMoO12.5: 152.1 kJmol-1) analyzed by means of the Arrhenius plot, shows similarities to the conventional stabilization of zirconia with yttrium (8-YSZ) (110 kJ mol-1 and 110-163 kJmol-1 respectively). The best-calculated conductivity values σ = 1.03 × 10-4 Scm-1 obtained for Er5CeMoO12.5 at 1000 °C are comparable to the values published for 8-YSZ with σ = 3.94 × 10-5 Scm-1 at similar temperatures. These promising preliminary results underline the potential of the title compounds for application in solid oxide fuel cells (SOFCs).

  12. Exotic Universal Solutions in Cubic Superstring Field Theory

    CERN Document Server

    Erler, Theodore

    2010-01-01

    We present a class of analytic solutions of cubic superstring field theory in the universal sector on a non-BPS D-brane. Computation of the action and gauge invariant overlap reveal that the solutions carry half the tension of a non-BPS D-brane. However, the solutions do not satisfy the reality condition. In fact, they display an intriguing topological structure: We find evidence that conjugation of the solutions is equivalent to a gauge transformation that cannot be continuously deformed to the identity.

  13. Analytical Approximate Solutions for the Cubic-Quintic Duffing Oscillator in Terms of Elementary Functions

    OpenAIRE

    A. Beléndez; ALVAREZ, M. L.; Francés, J.; S. Bleda; Beléndez, T.; Nájera, A.; Arribas, E.

    2012-01-01

    Accurate approximate closed-form solutions for the cubic-quintic Duffing oscillator are obtained in terms of elementary functions. To do this, we use the previous results obtained using a cubication method in which the restoring force is expanded in Chebyshev polynomials and the original nonlinear differential equation is approximated by a cubic Duffing equation. Explicit approximate solutions are then expressed as a function of the complete elliptic integral of the first kind and the Jacobi ...

  14. Growth, Nitrogen Vacancy Reduction and Solid Solution Formation in Cubic GaN Thin Films and the Subsequent Fabrication of Superlattice Structures Using AlN and InN

    Science.gov (United States)

    1990-07-01

    that the BGaN film remained predominantly single crystal, but shows both a normal cubic [110] pattern and a second hexagonal pattern [0110]. By contrast...27 Transmission electron microscopy (iEM) was used (Hitachi H-800) to more closely examine the microstructural evolution of the BN/ BGaN /GaN epitaxial...area diffraction (SAD) also showed the BGaN layer to be a mixture of cubic and wurtzitic phases. This layer was heavily faulted. The latter phenomenon

  15. Growth, Nitrogen Vacancy Reduction and Solid Solution Formation in Cubic GaN Thin Films and Subsequent Fabrication of Superlattice Structures Using AlN and InN

    Science.gov (United States)

    1990-12-01

    Laboratories, Inc. 3. Structural Analysis Reflection high-energy electron diffraction performed during growth indicated that the BGaN film remained...was used (Hitachi H-800) to more closely examine the microstructural evolution of the BN/ BGaN /GaN epitaxial films. Cross-section TEM specimens were... BGaN layer to be a mixture of cubic and wurtzitic phases. This layer was heavily faulted. The latter phenomenon is to be expected given the high

  16. Electric field induced cubic to monoclinic phase transition in multiferroic 0.65Bi(Ni{sub 1/2}Ti{sub 1/2})O{sub 3}-0.35PbTiO{sub 3} solid solution

    Energy Technology Data Exchange (ETDEWEB)

    Pandey, Rishikesh; Singh, Akhilesh Kumar, E-mail: akhilesh-bhu@yahoo.com [School of Materials Science and Technology, Indian Institute of Technology (Banaras Hindu University), Varanasi 221005 (India)

    2014-10-20

    The results of x-ray diffraction studies on 0.65Bi(Ni{sub 1/2}Ti{sub 1/2})O{sub 3}-0.35PbTiO{sub 3} solid solution poled at various electric fields are presented. After poling, significant value of planar electromechanical coupling coefficient (k{sub P}) is observed for this composition having cubic structure in unpoled state. The cubic structure of 0.65Bi(Ni{sub 1/2}Ti{sub 1/2})O{sub 3}-0.35PbTiO{sub 3} transforms to monoclinic structure with space group Pm for the poling field ≥5 kV/cm. Large c-axis microscopic lattice strain (1.6%) is achieved at 30 kV/cm poling field. The variation of the c-axis strain and unit cell volume with poling field shows a drastic jump similar to that observed for strain versus electric field curve in (1 − x)Pb(Mg{sub 1/3}Nb{sub 2/3}) O{sub 3}-xPbTiO{sub 3} and (1 − x)Pb(Zn{sub 1/3}Nb{sub 2/3})O{sub 3}-xPbTiO{sub 3}.

  17. On Gauge Equivalence of Tachyon Solutions in Cubic Neveu-Schwarz String Field Theory

    CERN Document Server

    Aref'eva, I Ya

    2010-01-01

    Simple analytic solution to cubic Neveu-Schwarz String Field Theory including the $GSO(-)$ sector is presented. This solution is an analog of the Erler-Schnabl solution for bosonic case and one of the authors solution for the pure $GSO(+)$ case. Gauge transformations of the new solution to others known solutions for the $NS$ string tachyon condensation are constructed explicitly. This gauge equivalence manifestly supports the early observed fact that these solutions have the same value of the action density.

  18. Exact Solutions of Discrete Complex Cubic Ginzburg-Landau Equation and Their Linear Stability

    Institute of Scientific and Technical Information of China (English)

    张金良; 刘治国

    2011-01-01

    The discrete complex cubic Ginzburg-Landau equation is an important model to describe a number of physical systems such as Taylor and frustrated vortices in hydrodynamics and semiconductor laser arrays in optics. In this paper, the exact solutions of the discrete complex cubic Ginzburg-Landau equation are derived using homogeneous balance principle and the GI/G-expansion method, and the linear stability of exact solutions is discussed.

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

    Science.gov (United States)

    2006-01-01

    effect from alloying additions of Nb, Mo, V, Cr and Co in cubic solid solution of Fe-Ga alloys. Mayer bond order "BO" values were used to evaluate the...that transition metal Nb achieves the best strengthening effect in Fe-Ga alloys. The solid solution strengthening follows a trend from larger to

  20. Analytical Approximate Solutions for the Cubic-Quintic Duffing Oscillator in Terms of Elementary Functions

    Directory of Open Access Journals (Sweden)

    A. Beléndez

    2012-01-01

    Full Text Available Accurate approximate closed-form solutions for the cubic-quintic Duffing oscillator are obtained in terms of elementary functions. To do this, we use the previous results obtained using a cubication method in which the restoring force is expanded in Chebyshev polynomials and the original nonlinear differential equation is approximated by a cubic Duffing equation. Explicit approximate solutions are then expressed as a function of the complete elliptic integral of the first kind and the Jacobi elliptic function cn. Then we obtain other approximate expressions for these solutions, which are expressed in terms of elementary functions. To do this, the relationship between the complete elliptic integral of the first kind and the arithmetic-geometric mean is used and the rational harmonic balance method is applied to obtain the periodic solution of the original nonlinear oscillator.

  1. Gauge equivalence of Tachyon solutions in the cubic Neveu—Schwarz string field theory

    Science.gov (United States)

    Aref'eva, I. Ya.; Gorbachev, R. V.

    2010-11-01

    We construct a simple analytic solution of the cubic Neveu—Schwarz (NS) string field theory including the GSO(-) sector. This solution is analogous to the Erler—Schnabl solution in the bosonic case and to the solution in the pure GSO(+) case previously proposed by one of us. We construct exact gauge transformations of the new solution to other known solutions for the NS string tachyon condensation. This gauge equivalence manifestly supports the previous observation that the Erler solution for the pure GSO(+) sector and our solution containing both the GSO(+) and the GSO(-) sectors have the same value of the action density.

  2. On the exact solutions of nonlinear diffusion-reaction equations with quadratic and cubic nonlinearities

    Indian Academy of Sciences (India)

    R S Kaushal; Ranjit Kumar; Awadhesh Prasad

    2006-08-01

    Attempts have been made to look for the soliton content in the solutions of the recently studied nonlinear diffusion-reaction equations [R S Kaushal, J. Phys. 38, 3897 (2005)] involving quadratic or cubic nonlinearities in addition to the convective flux term which renders the system nonconservative and the corresponding Hamiltonian non-Hermitian.

  3. Growth of Solid Solution Crystals

    Science.gov (United States)

    Lehoczky, S. L.; Szofran, F. R.; Holland, L. R.

    1985-01-01

    The major objective of this program is to determine the conditions under which single crystals of solid solutions can be grown from the melt in a Bridgman configuration with a high degree of chemical homogeneity. The central aim is to assess the role of gravity in the growth process and to explore the possible advantages for growth in the absence of gravity. The alloy system being investigated is the solid solution semiconductor with x-values appropriate for infrared detector applications in Hg sub (1-x) Cd sub x Te the 8 to 14 micro m wavelength region. Both melt and Te-solvent growth are being considered. The study consists of an extensive ground-based experimental and theoretical research effort followed by flight experimentation where appropriate. Experimental facilities have been established for the purification, casting, and crystal growth of the alloy system. Facilities have been also established for the metallurgical, compositional, electric and optical characterization of the alloys. Crystals are being grown by the Bridgman-Stockbarger method and are analyzed by various experimental techniques to evaluate the effects of growth conditions on the longitudinal and radial compositional variations and defect densities in the crystals.

  4. Explicit Soliton and Periodic Solutions to Three-Wave System with Quadratic and Cubic Nonlinearities

    Institute of Scientific and Technical Information of China (English)

    LIN Ji; ZHAO Li-Na; LI Hua-Mei

    2011-01-01

    Lie group theoretical method and the equation of the Jacobi elliptic function are used to study the three wave system that couples two fundamental frequency (FF) and a single second harmonic (SH) one by competing x(2)(quadratic) and x(3) (cubic) nonlinearities and birefringence.This system shares some of the nice properties of soliton system.On the phase-locked condition, we obtain large families of analytical solutions as the soliton, kink and periodic solutions of this system.

  5. Generating Erler-Schnabl-type Solution for Tachyon Vacuum in Cubic Superstring Field Theory

    CERN Document Server

    Arroyo, E Aldo

    2010-01-01

    We analyze a new class of identity-based solutions in open bosonic string field theory and cubic superstring field theory. Even though these solutions seem to be trivial, it turns out that after performing a suitable gauge transformation, we are left with the known Erler-Schnabl-type solutions which correctly reproduce the value for the D-brane tension. This important result shows explicitly that how a seemingly trivial solution can generate a non-trivial configuration which precisely represents the tachyon vacuum.

  6. Generating Erler-Schnabl-type solution for the tachyon vacuum in cubic superstring field theory

    Science.gov (United States)

    Aldo Arroyo, E.

    2010-11-01

    We study a new set of identity-based solutions to analyze the problem of tachyon condensation in open bosonic string field theory and cubic superstring field theory. Even though these identity-based solutions seem to be trivial, it turns out that after performing a suitable gauge transformation, we are left with the known Erler-Schnabl-type solutions which correctly reproduce the value of the D-brane tension. This result shows explicitly that a seemingly trivial solution can generate a non-trivial configuration which precisely represents the tachyon vacuum.

  7. An explicit approximate solution to the Duffing-harmonic oscillator by a cubication method

    Energy Technology Data Exchange (ETDEWEB)

    Belendez, A., E-mail: a.belendez@ua.e [Departamento de Fisica, Ingenieria de Sistemas y Teoria de la Senal, Universidad de Alicante, Apartado 99, E-03080 Alicante (Spain); Mendez, D.I. [Departamento de Fisica, Ingenieria de Sistemas y Teoria de la Senal, Universidad de Alicante, Apartado 99, E-03080 Alicante (Spain); Fernandez, E. [Departamento de Optica, Farmacologia y Anatomia, Universidad de Alicante, Apartado 99, E-03080 Alicante (Spain); Marini, S. [Departamento de Fisica, Ingenieria de Sistemas y Teoria de la Senal, Universidad de Alicante, Apartado 99, E-03080 Alicante (Spain); Pascual, I. [Departamento de Optica, Farmacologia y Anatomia, Universidad de Alicante, Apartado 99, E-03080 Alicante (Spain)

    2009-08-03

    The nonlinear oscillations of a Duffing-harmonic oscillator are investigated by an approximated method based on the 'cubication' of the initial nonlinear differential equation. In this cubication method the restoring force is expanded in Chebyshev polynomials and the original nonlinear differential equation is approximated by a Duffing equation in which the coefficients for the linear and cubic terms depend on the initial amplitude, A. The replacement of the original nonlinear equation by an approximate Duffing equation allows us to obtain explicit approximate formulas for the frequency and the solution as a function of the complete elliptic integral of the first kind and the Jacobi elliptic function, respectively. These explicit formulas are valid for all values of the initial amplitude and we conclude this cubication method works very well for the whole range of initial amplitudes. Excellent agreement of the approximate frequencies and periodic solutions with the exact ones is demonstrated and discussed and the relative error for the approximate frequency is as low as 0.071%. Unlike other approximate methods applied to this oscillator, which are not capable to reproduce exactly the behaviour of the approximate frequency when A tends to zero, the cubication method used in this Letter predicts exactly the behaviour of the approximate frequency not only when A tends to infinity, but also when A tends to zero. Finally, a closed-form expression for the approximate frequency is obtained in terms of elementary functions. To do this, the relationship between the complete elliptic integral of the first kind and the arithmetic-geometric mean as well as Legendre's formula to approximately obtain this mean are used.

  8. Numerical Solution of One-dimensional Telegraph Equation using Cubic B-spline Collocation Method

    Directory of Open Access Journals (Sweden)

    J. Rashidinia

    2014-02-01

    Full Text Available In this paper, a collocation approach is employed for the solution of the one-dimensional telegraph equation based on cubic B-spline. The derived method leads to a tri-diagonal linear system. Computational efficiency of the method is confirmed through numerical examples whose results are in good agreement with theory. The obtained numerical results have been compared with the results obtained by some existing methods to verify the accurate nature of our method.

  9. A Galerkin Solution for Burgers' Equation Using Cubic B-Spline Finite Elements

    OpenAIRE

    A.A. Soliman

    2012-01-01

    Numerical solutions for Burgers’ equation based on the Galerkins’ method using cubic B-splines as both weight and interpolation functions are set up. It is shown that this method is capable of solving Burgers’ equation accurately for values of viscosity ranging from very small to large. Three standard problems are used to validate the proposed algorithm. A linear stability analysis shows that a numerical scheme based on a Cranck-Nicolson approximation in time is unconditionally stable.

  10. A Galerkin Solution for Burgers' Equation Using Cubic B-Spline Finite Elements

    Directory of Open Access Journals (Sweden)

    A. A. Soliman

    2012-01-01

    Full Text Available Numerical solutions for Burgers’ equation based on the Galerkins’ method using cubic B-splines as both weight and interpolation functions are set up. It is shown that this method is capable of solving Burgers’ equation accurately for values of viscosity ranging from very small to large. Three standard problems are used to validate the proposed algorithm. A linear stability analysis shows that a numerical scheme based on a Cranck-Nicolson approximation in time is unconditionally stable.

  11. Localized Pulsating Solutions of the Generalized Complex Cubic-Quintic Ginzburg-Landau Equation

    OpenAIRE

    Ivan M. Uzunov; Georgiev, Zhivko D.

    2014-01-01

    We study the dynamics of the localized pulsating solutions of generalized complex cubic-quintic Ginzburg-Landau equation (CCQGLE) in the presence of intrapulse Raman scattering (IRS). We present an approach for identification of periodic attractors of the generalized CCQGLE. Using ansatz of the travelling wave and fixing some relations between the material parameters, we derive the strongly nonlinear Lienard-Van der Pol equation for the amplitude of the nonlinear wave. Next, we apply the Meln...

  12. Analytical Solution of Linear, Quadratic and Cubic Model of PTT Fluid

    Directory of Open Access Journals (Sweden)

    Naeem Faraz

    2015-07-01

    Full Text Available An attempt is made for the first time to solve the quadratic and cubic model of magneto hydrodynamic Poiseuille flow of Phan-Thein-Tanner (PTT. Series solution of magneto hydrodynamic (MHD flow is developed by using homotopy perturbation method (HPM. Results are presented graphically and the effects of non-dimensional parameters on the flow field are analyzed. The results obtained reveals many interesting behaviors that warrant further study on the equations related to non-Newtonian fluid phenomena.

  13. Distinguishing bicontinuous lipid cubic phases from isotropic membrane morphologies using (31)P solid-state NMR spectroscopy.

    Science.gov (United States)

    Yang, Yu; Yao, Hongwei; Hong, Mei

    2015-04-16

    Nonlamellar lipid membranes are frequently induced by proteins that fuse, bend, and cut membranes. Understanding the mechanism of action of these proteins requires the elucidation of the membrane morphologies that they induce. While hexagonal phases and lamellar phases are readily identified by their characteristic solid-state NMR line shapes, bicontinuous lipid cubic phases are more difficult to discern, since the static NMR spectra of cubic-phase lipids consist of an isotropic (31)P or (2)H peak, indistinguishable from the spectra of isotropic membrane morphologies such as micelles and small vesicles. To date, small-angle X-ray scattering is the only method to identify bicontinuous lipid cubic phases. To explore unique NMR signatures of lipid cubic phases, we first describe the orientation distribution of lipid molecules in cubic phases and simulate the static (31)P chemical shift line shapes of oriented cubic-phase membranes in the limit of slow lateral diffusion. We then show that (31)P T2 relaxation times differ significantly between isotropic micelles and cubic-phase membranes: the latter exhibit 2 orders of magnitude shorter T2 relaxation times. These differences are explained by the different time scales of lipid lateral diffusion on the cubic-phase surface versus the time scales of micelle tumbling. Using this relaxation NMR approach, we investigated a DOPE membrane containing the transmembrane domain (TMD) of a viral fusion protein. The static (31)P spectrum of DOPE shows an isotropic peak, whose T2 relaxation times correspond to that of a cubic phase. Thus, the viral fusion protein TMD induces negative Gaussian curvature, which is an intrinsic characteristic of cubic phases, to the DOPE membrane. This curvature induction has important implications to the mechanism of virus-cell fusion. This study establishes a simple NMR diagnostic probe of lipid cubic phases, which is expected to be useful for studying many protein-induced membrane remodeling phenomena

  14. General complex envelope solutions of coupled-mode optics with quadratic or cubic nonlinearity

    CERN Document Server

    Hesketh, Graham D

    2015-01-01

    The analytic general solutions for the complex field envelopes are derived using Weierstrass elliptic functions for two and three mode systems of differential equations coupled via quadratic $\\chi_2$ type nonlinearity as well as two mode systems coupled via cubic $\\chi_3$ type nonlinearity. For the first time, a compact form of the solutions is given involving simple ratios of Weierstrass sigma functions (or equivalently Jacobi theta functions). A Fourier series is also given. All possible launch states are considered. The models describe sum and difference frequency generation, polarization dynamics, parity-time dynamics and optical processing applications.

  15. New approximate solutions for the strongly nonlinear cubic-quintic duffing oscillators

    Science.gov (United States)

    Karahan, M. M. Fatih; Pakdemirli, Mehmet

    2016-06-01

    Strongly nonlinear cubic-quintic Duffing oscillator is considered. Approximate solutions are derived using the multiple scales Lindstedt Poincare method (MSLP), a relatively new method developed for strongly nonlinear oscillators. The free undamped oscillator is considered first. Approximate analytical solutions of the MSLP are contrasted with the classical multiple scales (MS) method and numerical simulations. It is found that contrary to the classical MS method, the MSLP can provide acceptable solutions for the case of strong nonlinearities. Next, the forced and damped case is treated. Frequency response curves of both the MS and MSLP methods are obtained and contrasted with the numerical solutions. The MSLP method and numerical simulations are in good agreement while there are discrepancies between the MS and numerical solutions.

  16. Some Exact Solutions of Variable Coefficient Cubic-Quintic Nonlinear Schr(o)dinger Equation with an External Potential

    Institute of Scientific and Technical Information of China (English)

    ZHU Jia-Min; LIU Yu-Lu

    2009-01-01

    By constructing appropriate transformations and an extended elliptic sub-equation approach, we find some exact solutions of variable coefficient cubic-qulntic nonlinear Schrodinger equation with an external potential, which include bell and kink profile solitary wave solutions, singular solutions, triangular periodic wave solutions and so on.

  17. Migration mechanism for oversized solutes in cubic lattices: The case of yttrium in iron

    Science.gov (United States)

    Bocquet, Jean-Louis; Barouh, Caroline; Fu, Chu-Chun

    2017-06-01

    Substitutional solutes in metals generally diffuse by successive exchanges with vacancies, that is, via the so called vacancy mechanism. However, recent density functional theory (DFT) calculations predicted an atypical behavior for the oversized solute atoms (OSAs) in bcc and fcc iron. These solutes exhibit a very strong attraction with a nearby vacancy (V) at a first neighbor (1nn) distance. The attraction is so large that the 1nn OSA-V pair is no longer stable and relaxes spontaneously towards a new configuration where the OSA sits in the middle of the two half-vacancies (V/2). As a consequence, the diffusion of OSAs cannot be described by the standard vacancy mechanism. A new migration mechanism with a new formulation of correlation effects is required. The present study rests on a revised expression of the diffusion coefficient of the OSAs in bcc and fcc lattices, which introduces the concept of macrojumps. The formalism is applied presently to the case of yttrium (Y: a principal alloying element of advanced steels) in iron, using DFT data. But it is directly transferable to other OSAs in cubic metal lattices. At variance with the standard substitutional solutes, the Y atom is found to diffuse more rapidly than iron at all temperatures by orders of magnitude in the two cubic-Fe structures. This finding is opposite to the recent common belief that yttrium is a slow diffusing species in Fe alloys, based on experimental evidences. Several suggestions are proposed to solve this apparent inconsistency.

  18. Zn₃P₂-Zn₃As₂ solid solution nanowires.

    Science.gov (United States)

    Im, Hyung Soon; Park, Kidong; Jang, Dong Myung; Jung, Chan Su; Park, Jeunghee; Yoo, Seung Jo; Kim, Jin-Gyu

    2015-02-11

    Semiconductor alloy nanowires (NWs) have recently attracted considerable attention for applications in optoelectronic nanodevices because of many notable properties, including band gap tunability. Zinc phosphide (Zn3P2) and zinc arsenide (Zn3As2) belong to a unique pseudocubic tetragonal system, but their solid solution has rarely been studied. Here In this study, we synthesized composition-tuned Zn3(P1-xAsx)2 NWs with different crystal structures by controlling the growth conditions during chemical vapor deposition. A first type of synthesized NWs were single-crystalline and grew uniformly along the [110] direction (in a cubic unit cell) over the entire compositional range (0 ≤ x ≤ 1) explored. The use of an indium source enabled the growth of a second type of NWs, with remarkable cubic-hexagonal polytypic twinned superlattice and bicrystalline structures. The growth direction of the Zn3P2 and Zn3As2 NWs was also switched to [111] and [112], respectively. These structural changes are attributable to the Zn-depleted indium catalytic nanoparticles which favor the growth of hexagonal phases. The formation of a solid solution at all compositions allowed the continuous tuning of the band gap (1.0-1.5 eV). Photocurrent measurements were performed on individual NWs by fabricating photodetector devices; the single-crystalline NWs with [110] growth direction exhibit a higher photoconversion efficiency compared to the twinned crystalline NWs with [111] or [112] growth direction.

  19. Thermochemical stability and nonstoichiometry of yttria-stabilized bismuth oxide solid solutions

    NARCIS (Netherlands)

    Kruidhof, H.; Vries, de K.J.; Burggraaf, A.J.

    1990-01-01

    The thermochemical stability of fast oxygen ion conducting yttria stabilized bismuthoxide (YSB) solid solutions containing 22.0–32.5 mol% of yttria was investigated. It was shown that in the temperature range between 650–740 C the stabilized cubic δ-phase containing less than 31.8 mol% of yttria is

  20. A new reliable analytical solution for strongly nonlinear oscillator with cubic and harmonic restoring force

    Directory of Open Access Journals (Sweden)

    Md. Alal Hosen

    2015-01-01

    Full Text Available In the present paper, a complicated strongly nonlinear oscillator with cubic and harmonic restoring force, has been analysed and solved completely by harmonic balance method (HBM. Investigating analytically such kinds of oscillator is very difficult task and cumbersome. In this study, the offered technique gives desired results and to avoid numerical complexity. An excellent agreement was found between approximate and numerical solutions, which prove that HBM is very efficient and produces high accuracy results. It is remarkably important that, second-order approximate results are almost same with exact solutions. The advantage of this method is its simple procedure and applicable for many other oscillatory problems arising in science and engineering.

  1. Cubic Spline Solutions of Nonlinear Bending and Buckling of Circular Plates with Arbitrarily Variable Thickness

    Institute of Scientific and Technical Information of China (English)

    侯朝胜; 李婧; 龙泉

    2003-01-01

    The cubic B-splines taken as trial function, the large deflection of a circular plate with arbitrarily variable thickness,as well as the buckling load, have been calculated by the method of point collocation. The support can be elastic. Loads imposed can be polynomial distributed loads, uniformly distributed radial forces or moments along the edge respectively or their combinations. Convergent solutions can still be obtained by this method under the load whose value is in great excess of normal one. Under the action of the uniformly distributed loads, linear solutions of circular plates with linearly or quadratically variable thickness are compared with those obtained by the parameter method. Buckling of a circular plate with identical thickness beyond critical thrust is compared with those obtained by the power series method.

  2. Solution-solid-solid mechanism: superionic conductors catalyze nanowire growth.

    Science.gov (United States)

    Wang, Junli; Chen, Kangmin; Gong, Ming; Xu, Bin; Yang, Qing

    2013-09-11

    The catalytic mechanism offers an efficient tool to produce crystalline semiconductor nanowires, in which the choice, state, and structure of catalysts are active research issues of much interest. Here we report a novel solution-solid-solid (SSS) mechanism for nanowire growth catalyzed by solid-phase superionic conductor nanocrystals in low-temperature solution. The preparation of Ag2Se-catalyzed ZnSe nanowires at 100-210 °C is exampled to elucidate the SSS model, which can be extendable to grow other II-VI semiconductor (e.g., CdSe, ZnS, and CdS) nanowires by the catalysis of nanoscale superionic-phase silver or copper(I) chalcogenides (Ag2Se, Ag2S, and Cu2S). The exceptional catalytic ability of these superionic conductors originates from their structure characteristics, known for high-density vacancies and fast mobility of silver or copper(I) cations in the rigid sublattice of Se(2-) or S(2-) ions. Insights into the SSS mechanism are provided based on the formation of solid solution and the solid-state ion diffusion/transport at solid-solid interface between catalyst and nanowire.

  3. BV analysis of tachyon fluctuation around multi-brane solutions in cubic string field theory

    Science.gov (United States)

    Hata, Hiroyuki

    2016-05-01

    We study whether the tachyon mode exists as a physical fluctuation on the 2-brane solution and on the tachyon vacuum solution in cubic open string field theory. Our analysis is based on the Batalin-Vilkovisky formalism. We first construct a set of six string states which corresponds to the set of fields and anti-fields containing the tachyon field. Whether the tachyon field can exist as a physical fluctuation is determined by the 6 × 6 matrix defining the anti-bracket in the present sector. If the matrix is degenerate/non-degenerate, the tachyon field is physical/unphysical. Calculations for the pure-gauge type solutions in the framework of the KBc algebra and using the K ɛ -regularization lead to the expected results. Namely, the matrix for the anti-bracket is degenerate/non-degenerate in the case of the 2-brane/tachyon-vacuum solution. Our analysis is not complete, in particular, in that we have not identified the four-fold degeneracy of tachyon fluctuation on the 2-brane solution, and moreover that the present six states do not satisfy the hermiticity condition.

  4. Radionuclide solubility control by solid solutions

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-07-01

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

  5. Computer simulation of concentrated solid solution strengthening

    Science.gov (United States)

    Kuo, C. T. K.; Arsenault, R. J.

    1976-01-01

    The interaction forces between a straight edge dislocation moving through a three-dimensional block containing a random array of solute atoms were determined. The yield stress at 0 K was obtained by determining the average maximum solute-dislocation interaction force that is encountered by edge dislocation, and an expression relating the yield stress to the length of the dislocation and the solute concentration is provided. The magnitude of the solid solution strengthening due to solute atoms can be determined directly from the numerical results, provided the dislocation line length that moves as a unit is specified.

  6. New Exact Envelope Traveling Wave Solutions of High-Order Dispersive Cubic-Quintic Nonlinear Schr(o)dinger Equation

    Institute of Scientific and Technical Information of China (English)

    2005-01-01

    Using trial equation method, abundant exact envelope traveling wave solutions of high-order dispersive cubic-quintic nonlinear Schrodinger equation, which include envelope soliton solutions, triangular function envelope solutions, and Jacobian elliptic function envelope solutions, are obtained. To our knowledge, all of these results are new.In particular, our proposed method is very simple and can be applied to a lot of similar equations.

  7. Existence and stability of solutions of the cubic complex Ginzburg-Landau equation with delayed Raman scattering.

    Science.gov (United States)

    Facão, M; Carvalho, M I

    2015-08-01

    We found two stationary solutions of the cubic complex Ginzburg-Landau equation (CGLE) with an additional term modeling the delayed Raman scattering. Both solutions propagate with nonzero velocity. The solution that has lower peak amplitude is the continuation of the chirped soliton of the cubic CGLE and is unstable in all the parameter space of existence. The other solution is stable for values of nonlinear gain below a certain threshold. The solutions were found using a shooting method to integrate the ordinary differential equation that results from the evolution equation through a change of variables, and their stability was studied using the Evans function method. Additional integration of the evolution equation revealed the basis of attraction of the stable solutions. Furthermore, we have investigated the existence and stability of the high amplitude branch of solutions in the presence of other higher order terms originating from complex Raman, self-steepening, and imaginary group velocity.

  8. Cubic autocatalysis in a reaction-diffusion annulus: semi-analytical solutions

    Science.gov (United States)

    Alharthi, M. R.; Marchant, T. R.; Nelson, M. I.

    2016-06-01

    Semi-analytical solutions for cubic autocatalytic reactions are considered in a circularly symmetric reaction-diffusion annulus. The Galerkin method is used to approximate the spatial structure of the reactant and autocatalyst concentrations. Ordinary differential equations are then obtained as an approximation to the governing partial differential equations and analyzed to obtain semi-analytical results for this novel geometry. Singularity theory is used to determine the regions of parameter space in which the different types of steady-state diagram occur. The region of parameter space, in which Hopf bifurcations can occur, is found using a degenerate Hopf bifurcation analysis. A novel feature of this geometry is the effect, of varying the width of the annulus, on the static and dynamic multiplicity. The results show that for a thicker annulus, Hopf bifurcations and multiple steady-state solutions occur in a larger portion of parameter space. The usefulness and accuracy of the semi-analytical results are confirmed by comparison with numerical solutions of the governing partial differential equations.

  9. 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.

  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. Magneto-volume effects in Fe-Cu solid solutions

    Energy Technology Data Exchange (ETDEWEB)

    Gorria, P. [Departamento de Fisica, Universidad de Oviedo, Calvo Sotelo, s/n, 33007 Oviedo (Spain)]. E-mail: pgorria@uniovi.es; Martinez-Blanco, D. [Departamento de Fisica, Universidad de Oviedo, Calvo Sotelo, s/n, 33007 Oviedo (Spain); Iglesias, R. [Departamento de Fisica, Universidad de Oviedo, Calvo Sotelo, s/n, 33007 Oviedo (Spain); Palacios, S.L. [Departamento de Fisica, Universidad de Oviedo, Calvo Sotelo, s/n, 33007 Oviedo (Spain); Perez, M.J. [Departamento de Fisica, Universidad de Oviedo, Calvo Sotelo, s/n, 33007 Oviedo (Spain); Blanco, J.A. [Departamento de Fisica, Universidad de Oviedo, Calvo Sotelo, s/n, 33007 Oviedo (Spain); Fernandez Barquin, L. [Departamento CITIMAC, F. Ciencias, Universidad de Cantabria, 39005 Santander (Spain); Hernando, A. [Instituto de Magnetismo Aplicado, UCM-RENFE, 28230 Las Rozas, Madrid (Spain); Gonzalez, M.A. [Instituto de Ciencia de Materiales de Aragon, CSIC, 50009 Zaragoza (Spain); Institut Laue-Langevin, BP 156, F-38042 Grenoble Cedex 9 (France)

    2006-05-15

    The magnetic properties of Fe-Cu metastable solid solutions have been investigated by means of neutron diffraction and magnetisation measurements. These compounds exhibit ferromagnetic order with Curie temperatures above room temperature for concentrations beyond 40 at% in Fe. The magnetic moment at 5 K can reach values over 2 {mu} {sub B}, while the high field susceptibility is similar to that found in FCC-FeNi Invar alloys. These features together with the low values for the linear coefficient for thermal expansion in the ferromagnetic region suggest that magneto-volume anomalies, including Invar behaviour, play a major role in the magnetic properties of this system when the crystal structure is face centred cubic. Such behaviour could be explained using theoretical total-band energy calculations.

  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. Synthesis of single phase cubic Al-substituted Li{sub 7}La{sub 3}Zr{sub 2}O{sub 12} by solid state lithiation of mixed hydroxides

    Energy Technology Data Exchange (ETDEWEB)

    Langer, Frederieke; Glenneberg, Jens [University of Bremen, Innovative Sensor and Functional Materials Research Group, Badgasteiner Str. 1, 28359 Bremen (Germany); Bardenhagen, Ingo [Fraunhofer Institute for Manufacturing Technology and Advanced Materials – IFAM, Wiener Str. 12, 28359 Bremen (Germany); Kun, Robert, E-mail: robert.kun@uni-bremen.de [University of Bremen, Innovative Sensor and Functional Materials Research Group, Badgasteiner Str. 1, 28359 Bremen (Germany); Fraunhofer Institute for Manufacturing Technology and Advanced Materials – IFAM, Wiener Str. 12, 28359 Bremen (Germany)

    2015-10-05

    Highlights: • Soft chemistry synthesis of pure phase cubic-LLZ solid electrolyte. • Solid state lithiation of hydroxide precipitates. • Homogeneous distribution of constituting elements in the product. • Temperature dependent Li-ion conductivity of the LLZ was characterized. - Abstract: Substituted Li{sub 7}La{sub 3}Zr{sub 2}O{sub 12} (LLZ) with cubic garnet type structure is a promising candidate for solid state electrolyte in all-solid-state batteries. Here we present a novel synthesis route to obtain single phase cubic Al-substituted LLZ. The two step method consists of a co-precipitation of metal hydroxides from aqueous solution as well as solid-state lithiation and crystallization of the dried precipitate. Morphology and chemical composition of precipitated particles were investigated with SEM and EDS. Phase composition of calcined powder was confirmed to be pure phase cubic LLZ via XRD. The temperature dependent lithium ion conduction of a sintered pellet was determined to be 6.3 · 10{sup −5} S/cm at 353 K with an activation energy of 0.58 eV.

  14. Localized Pulsating Solutions of the Generalized Complex Cubic-Quintic Ginzburg-Landau Equation

    Directory of Open Access Journals (Sweden)

    Ivan M. Uzunov

    2014-01-01

    Full Text Available We study the dynamics of the localized pulsating solutions of generalized complex cubic-quintic Ginzburg-Landau equation (CCQGLE in the presence of intrapulse Raman scattering (IRS. We present an approach for identification of periodic attractors of the generalized CCQGLE. Using ansatz of the travelling wave and fixing some relations between the material parameters, we derive the strongly nonlinear Lienard-Van der Pol equation for the amplitude of the nonlinear wave. Next, we apply the Melnikov method to this equation to analyze the possibility of existence of limit cycles. For a set of fixed parameters we show the existence of limit cycle that arises around a closed phase trajectory of the unperturbed system and prove its stability. We apply the Melnikov method also to the equation of Duffing-Van der Pol oscillator used for the investigation of the influence of the IRS on the bandwidth limited amplification. We prove the existence and stability of a limit cycle that arises in a neighborhood of a homoclinic trajectory of the corresponding unperturbed system. The condition of existence of the limit cycle derived here coincides with the relation between the critical value of velocity and the amplitude of the solitary wave solution (Uzunov, 2011.

  15. Solid-Liquid Equilibria for Many-component Mixtures Using Cubic-Plus-Association (CPA) equation of state

    DEFF Research Database (Denmark)

    Fettouhi, André; Thomsen, Kaj

    2010-01-01

    In the creation of liquefied natural gas the formation of solids play a substantial role, hence detailed knowledge is needed about solid-liquid equilibria (SLE). In this abstract we shortly summarize the work we have carried out at CERE over the past year with SLE for many-component mixtures using...... the Cubic-Plus-Association (CPA) equation of state. Components used in this work are highly relevant to the oil and gas industry and include light and heavy hydrocarbons, alcohols, water and carbon dioxide....

  16. Low Temperature Synthesis of Cubic-phase Fast-ionic Conducting Bi-doped Garnet Solid State Electrolytes

    Science.gov (United States)

    Schwanz, Derek K.; Marinero, Ernesto

    We report on the synthesis of cubic-phase fast ionic conducting garnet solid state electrolytes based on LiLaZrO (LLZO) at unprecedented low synthesis temperatures. Ionic conductivities around 1.2 x 10-4 S/cm are readily achieved. Bismuth aliovalent substitution into LLZO utilizing the Pechini processing method is successfully employed to synthesize LiLaZrBiO compounds. Cubic phase LiLaZrBiO powders are generated in the temperature range 650C to 900C in air. In contrast, in the absence of Bi and under identical synthesis conditions, the cubic phase of LiLaZrO is not formed below 750C and a transformation to the poor ionically conducting tetragonal phase is observed at 800C for the undoped compound. The critical role of Bi in lowering the formation temperature of the garnet cubic phase and the improvements in ionic conductivity are elucidated in this work through microstructural and electrochemical studies.

  17. Science Letters: New solutions of shear waves in piezoelectric cubic crystals

    Institute of Scientific and Technical Information of China (English)

    ZAKHARENKO A.A.

    2007-01-01

    Acoustic wave propagation in piezoelectric crystals of classes 43m and 23 is studied. The crystals Tl3VS4 and Tl3TaSe4 (-43m) of the Chalcogenide family and the crystal Bi12TiO20 (23) possess strong piezoelectric effect. Because the surface Bleustein-Gulyaev waves cannot exist in piezoelectric cubic crystals, it was concluded that new solutions for shear-horizontal surface acoustic waves (SH-SAWs) are found in the monocrystals using different electrical boundary conditions such as electrically "short" and "open" free-surfaces for the unique [ 101] direction of wave propagation. For the crystal Tl3TaSe4 with coefficient of electromechanical coupling (CEMC) Ke2=e2/(C×g)~1/3, the phase velocity Vph for the new SH-SAWs can be calculated with the following formula: Vph=(Va+Vt)/2, where Vt is the speed of bulk SH-wave, Vt=Vt4(1+Ke2)1/2, Va=aKVt4, aK=2[Ke(1+Ke2)1/2-Ke2]1/2,and Vt4=(C44/ρ)1/2. It was found that the CEMC K2 evaluation for Tl3TaSe4 gave the value of K2=2(Vf-Vm)/Vf~O.047 (~4.7%),where Vf~848 m/s and Vm~828 m/s are the new-SAW velocities for the free and metallized surfaces, respectively. This high value of K2(Tl3TaSe4) is significantly greater than K2(Tl3VS4)~3% and about five times that of K2(Bi12TiO20).

  18. Numerical solution of two dimensional coupled viscous Burger equation using modified cubic B-spline differential quadrature method

    Directory of Open Access Journals (Sweden)

    H. S. Shukla

    2014-11-01

    Full Text Available In this paper, a numerical solution of two dimensional nonlinear coupled viscous Burger equation is discussed with appropriate initial and boundary conditions using the modified cubic B-spline differential quadrature method. In this method, the weighting coefficients are computed using the modified cubic B-spline as a basis function in the differential quadrature method. Thus, the coupled Burger equation is reduced into a system of ordinary differential equations. An optimal five stage and fourth-order strong stability preserving Runge–Kutta scheme is applied for solving the resulting system of ordinary differential equations. The accuracy of the scheme is illustrated by taking two numerical examples. Computed results are compared with the exact solutions and other results available in literature. Obtained numerical result shows that the described method is efficient and reliable scheme for solving two dimensional coupled viscous Burger equation.

  19. Magnetic Damping of Solid Solution Semiconductor Alloys

    Science.gov (United States)

    Szofran, Frank R.; Benz, K. W.; Croell, Arne; Dold, Peter; Cobb, Sharon D.; Volz, Martin P.; Motakef, Shariar

    1999-01-01

    The objective of this study is to: (1) experimentally test the validity of the modeling predictions applicable to the magnetic damping of convective flows in electrically conductive melts as this applies to the bulk growth of solid solution semiconducting materials; and (2) assess the effectiveness of steady magnetic fields in reducing the fluid flows occurring in these materials during processing. To achieve the objectives of this investigation, we are carrying out a comprehensive program in the Bridgman and floating-zone configurations using the solid solution alloy system Ge-Si. This alloy system has been studied extensively in environments that have not simultaneously included both low gravity and an applied magnetic field. Also, all compositions have a high electrical conductivity, and the materials parameters permit reasonable growth rates. An important supporting investigation is determining the role, if any, that thermoelectromagnetic convection (TEMC) plays during growth of these materials in a magnetic field. TEMC has significant implications for the deployment of a Magnetic Damping Furnace in space. This effect will be especially important in solid solutions where the growth interface is, in general, neither isothermal nor isoconcentrational. It could be important in single melting point materials, also, if faceting takes place producing a non-isothermal interface. In conclusion, magnetic fields up to 5 Tesla are sufficient to eliminate time-dependent convection in silicon floating zones and possibly Bridgman growth of Ge-Si alloys. In both cases, steady convection appears to be more significant for mass transport than diffusion, even at 5 Tesla in the geometries used here. These results are corroborated in both growth configurations by calculations.

  20. MOVING SCREW DISLOCATION IN CUBIC QUASICRYSTAL

    Institute of Scientific and Technical Information of China (English)

    ZHOU Wang-min; SONG Yu-hai

    2005-01-01

    The elasticity theory of the dislocation of cubic quasicrystals is developed.The governing equations of anti-plane elasticity dynamics problem of the quasicrystals were reduced to a solution of wave equations by introducing displacement functions,and the analytical expressions of displacements, stresses and energies induced by a moving screw dislocation in the cubic quasicrystalline and the velocity limit of the dislocation were obtained. These provide important information for studying the plastic deformation of the new solid material.

  1. A novel low-temperature solid-state route for nanostructured cubic garnet Li 7 La 3 Zr 2 O 12 and its application to Li-ion battery

    OpenAIRE

    Kumar, P. Jeevan; Nishimura, K.; Senna, M.; Düvel, A.; Heitjans, Paul; Kawaguchi, T; Sakamoto, N; Wakiya, N.; Suzuki, H

    2016-01-01

    We present a novel approach to the solid-state synthesis of garnet-type cubic Li7La3Zr2O12 (c-LLZO) nanostructured particles with 1.0 mass% Al at 750 °C within 3 h. In contrast to conventional solid-state processes, a highly reactive precursor was prepared in two steps: (i) by homogenizing the stoichiometric mixture without Li, and (ii) subsequent addition of Li in the form of an ethanolic solution of lithium acetate. The actual composition determined by ICP analysis was Li6.61La3Zr2Al0.13O11...

  2. 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.

  3. Three-Dimensional Structure of a Simple Liquid at a Face-Centered-Cubic (001) Solid Surface Interface.

    Science.gov (United States)

    Bao, Luyao; Hu, Haibao; Wen, Jun; Sepri, Paavo; Luo, Kai

    2016-07-19

    A liquid in the vicinity of a solid-liquid interface (SLI) may exhibit complex structures. In this study, we used molecular dynamics simulations demonstrating for the first time that the liquid adjacent to the SLI can have a two-level structure in some cases: a major structure and a minor structure. Through a time-averaging process of molecular motions, we identified the type of the liquid structure by calculating positions of the maximum liquid density in three spatial dimensions, and these positions were found to distribute in many dispersed zones (called high-density zones (HDZs)). The major structure appears throughout the SLI, while the minor structure only occurs significantly within the third layer. Instead of the previously reported body-centered cubic (BCC) or face-centered-cubic (FCC) types, the major structure was found to show a body-centered tetragonal (BCT) type. The adjacent HDZs are connected by specific junctions, demonstrating that atoms diffuse along some particular high probability paths from one HDZ to another. By considering the three-dimensional liquid density distribution from the continuum point of view, more complete details of the structure and diffusive behavior of liquids in the SLI are also possible to be revealed.

  4. Three-Dimensional Structure of a Simple Liquid at a Face-Centered-Cubic (001) Solid Surface Interface

    Science.gov (United States)

    Bao, Luyao; Hu, Haibao; Wen, Jun; Sepri, Paavo; Luo, Kai

    2016-07-01

    A liquid in the vicinity of a solid-liquid interface (SLI) may exhibit complex structures. In this study, we used molecular dynamics simulations demonstrating for the first time that the liquid adjacent to the SLI can have a two-level structure in some cases: a major structure and a minor structure. Through a time-averaging process of molecular motions, we identified the type of the liquid structure by calculating positions of the maximum liquid density in three spatial dimensions, and these positions were found to distribute in many dispersed zones (called high-density zones (HDZs)). The major structure appears throughout the SLI, while the minor structure only occurs significantly within the third layer. Instead of the previously reported body-centered cubic (BCC) or face-centered-cubic (FCC) types, the major structure was found to show a body-centered tetragonal (BCT) type. The adjacent HDZs are connected by specific junctions, demonstrating that atoms diffuse along some particular high probability paths from one HDZ to another. By considering the three-dimensional liquid density distribution from the continuum point of view, more complete details of the structure and diffusive behavior of liquids in the SLI are also possible to be revealed.

  5. Field assisted sintering of dense Al-substituted cubic phase Li7La3Zr2O12 solid electrolytes

    Science.gov (United States)

    Zhang, Yanhua; Chen, Fei; Tu, Rong; Shen, Qiang; Zhang, Lianmeng

    2014-12-01

    High performance lithium ion conducting Li7La3Zr2O12 solid electrolytes are prepared for the first time by field assisted sintering technology (FAST). The effect of sintering temperature on the phase compositions, microstructure and Li ionic conductivity is systematically investigated. The results show that pure cubic phase LLZO can be obtained at a range of temperatures from 1100 to 1180 °C for no more than 10 min. For the sample sintered at 1150 °C, a maximum relative density of 99.8% with a total ionic conductivity as high as 5.7 × 10-4 S cm-1 are obtained at room temperature. This value is the highest among the present research. Compared with the traditional preparation methods, the current FAST is very promising to obtain high performance LLZO for its advantages of very short sintering time, a single preparation step of reaction-densification processing, and relatively lower sintering temperature.

  6. Simple cubic equation of state applied to hard-sphere, Lennard-Jones fluids, simple fluids and solids

    Science.gov (United States)

    Sun, Jiu-Xun; Cai, Ling-Cang; Wu, Qiang; Jin, Ke

    2013-09-01

    Based on the expansion and extension of the virial equation of state (EOS) of hard-sphere fluids solved by the Percus-Yevick integration equation, a universal cubic (UC) EOS is developed. The UC EOS is applied to model hard-sphere and Lennard-Jones (LJ) fluids, simple Ar and N2 liquids at low temperatures, and supercritical Ar and N2 fluids at high temperatures, as well as ten solids, respectively. The three parameters are determined for the hard-sphere fluid by fitting molecular dynamics (MD) simulation data of the third to eighth virial coefficients in the literature; for other fluids by fitting isothermal compression data; and for solids by using the Einstein model. The results show that the UC EOS gives better results than the Carnahan-Starling EOS for compressibility of hard-sphere fluids. The Helmholtz free energy and internal energy for LJ fluids are predicted and compared with MD simulation data. The calculated pressures for simple Ar and N2 liquids are compared with experimental data. The agreement is fairly good. Eight three-parameter EOSs are applied to describe isothermals of ten typical solids. It is shown that the UC EOS gives the best precision with correct behavior at high-pressure limitation. The UC EOS considering thermal effects is used to analytically evaluate the isobaric thermal expansivity and isothermal compressibility coefficients. The results are in good agreement with experimental data.

  7. A singular one-parameter family of solutions in cubic superstring field theory

    Science.gov (United States)

    Arroyo, E. Aldo

    2016-05-01

    Performing a gauge transformation of a simple identity-like solution of superstring field theory, we construct a one-parameter family of solutions, and by evaluating the energy associated to this family, we show that for most of the values of the parameter the solution represents the tachyon vacuum, except for two isolated singular points where the solution becomes the perturbative vacuum and the half brane solution.

  8. End-Member Formulation of Solid Solutions and Reactive Transport

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-09-01

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

  9. Growth of Solid Solution Single Crystals

    Science.gov (United States)

    Lehoczky, Sandor L.; Szofran, F. R.; Gillies, Donald C.

    2001-01-01

    The solidification of a solid solution semiconductor, having a wide separation between liquidus and solidus has been extensively studied in ground based, high magnetic field and Spacelab experiments. Two alloys of mercury cadmium telluride have been studied; with 80.0 mole percent of HgTe and 84.8 mole percent of HgTe respectively, the remainder being cadmium telluride. Such alloys are extremely difficult to grow by directional solidification on earth due to high solutal and thermal density differences that give rise to fluid flow and consequent loss of interface shape and composition. Diffusion controlled growth is therefore impossible to achieve in conventional directional solidification. The ground based experiments consisted of growing crystals in several different configurations of heat pipe furnaces, NASA's Advanced Automated Directional Solidification Furnace (AADSF), and a similar furnace incorporated in a superconducting magnet capable of operating at up to 5T. The first microgravity experiment took place during the flight of STS-62 in March 1994, with the AADSF installed on the second United States Microgravity Payload (USMP-2). The alloy was solidified at 3/4 inch per day over a 9 day period, and for the first time a detailed evaluation was performed correlating composition variations to measured residual acceleration. The second flight experiment took place in the fourth United States Microgravity Payload Mission (USMP-4) in November 1997. Due to contamination of the furnace system, analysis shows that the conditions prevailing during the experiment were quite different from the requirements requested prior to the mission. The results indicate that the sample did accomplish the desired objectives.

  10. Numerical solution of the Black-Scholes equation using cubic spline wavelets

    Science.gov (United States)

    Černá, Dana

    2016-12-01

    The Black-Scholes equation is used in financial mathematics for computation of market values of options at a given time. We use the θ-scheme for time discretization and an adaptive scheme based on wavelets for discretization on the given time level. Advantages of the proposed method are small number of degrees of freedom, high-order accuracy with respect to variables representing prices and relatively small number of iterations needed to resolve the problem with a desired accuracy. We use several cubic spline wavelet and multi-wavelet bases and discuss their advantages and disadvantages. We also compare an isotropic and anisotropic approach. Numerical experiments are presented for the two-dimensional Black-Scholes equation.

  11. 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.

  12. Thermodynamic properties of solid face centered cubic Rb3C60 at high temperature and pressure

    Science.gov (United States)

    Yang, W.; Sun, J. X.; Liu, H.; Yan, G. F.

    2014-03-01

    Analytic equation of state and thermodynamic quantities of solid fcc Rb3C60 are derived by using an analytic mean field potential method. For intermolecular forces, the double-exponential potential is utilized. Four potential parameters are determined by fitting experimental compression data of Rb3C60 up to 14 GPa at 296 K. Various physical quantities including isothermals, thermal expansion, isochoric heat capacity, Helmholtz free energy and internal energy are calculated and analyzed. Calculated results are consistent with available experimental data in literature. Furthermore, spinodal temperature for Rb3C60 is found to be 2,860 K. Results verify that analytic mean field potential method is a useful approach to consider the anharmonic effect at high temperatures. Numerous reasonable predictions and the change trend of the properties for Rb3C60 at high temperature and pressure have been given.

  13. Compositional Segregation in Unidirectionally Solidified Solid Solution Crystals

    Science.gov (United States)

    Wang, J. C.

    1983-01-01

    A computer program was developed to model compositional segregation in unidrectionally solidified solid-solution-semiconducting crystals. The program takes into account the variations of the interface segregation constant and solidification rate with composition. Calculations are performed for the HgCdTe solid solution system that is compared with experimental data.

  14. Solution of (3+1-Dimensional Nonlinear Cubic Schrodinger Equation by Differential Transform Method

    Directory of Open Access Journals (Sweden)

    Hassan A. Zedan

    2012-01-01

    Full Text Available Four-dimensional differential transform method has been introduced and fundamental theorems have been defined for the first time. Moreover, as an application of four-dimensional differential transform, exact solutions of nonlinear system of partial differential equations have been investigated. The results of the present method are compared very well with analytical solution of the system. Differential transform method can easily be applied to linear or nonlinear problems and reduces the size of computational work. With this method, exact solutions may be obtained without any need of cumbersome work, and it is a useful tool for analytical and numerical solutions.

  15. Forces between Hydrophobic Solids in Concentrated Aqueous Salt Solution

    OpenAIRE

    Mastropietro, Dean J; Ducker, William A.

    2012-01-01

    Much research has focused on the discovery and description of long-ranged forces between hydrophobic solids immersed in water. Here we show that the force between high contact-angle solids in concentrated salt solution (1 M KCl) agrees very well with van der Waals forces calculated from Lifshitz theory for separations greater than 5 nm. The hydrophobic solids are octadecyltrichlorosilane-coated glass, with an advancing contact angle of 108 degrees. Thus, in 1 M salt solution, it is unnecessar...

  16. Excited state polarizabilities in solution obtained by cubic response theory: Calculations on para-, ortho-, and meta-nitroaniline

    Science.gov (United States)

    Jonsson, Dan; Norman, Patrick; Ågren, Hans; Luo, Yi; Sylvester-Hvid, Kristian O.; Mikkelsen, Kurt V.

    1998-10-01

    We show that response theory implemented with a self-consistent reaction field theory model is a viable approach to simulate excited state polarizabilities of molecules in solution. The excited state polarizabilities are in this approach given by the double residue of the ground state cubic response functions, accounting for both equilibrium and nonequilibrium contributions to the interaction with the outer medium. The effects of the inertial polarization of the solvent on the polarizabilities of the solutes are shown to strongly depend on the solvent configuration, whether the solvent is in equilibrium or in nonequilibrium with the charge distribution of the investigated compound. The inertial polarization vector in the nonequilibrium solvent configuration represents the equilibrated solvent configuration when solvating the ground state of the solute. This inertial polarization vector is not in equilibrium with any of the excited states and therefore one observes a rather different behavior between nonequilibrium and equilibrium solvent descriptions of the solute. Illustrative calculations are presented for para-, meta-, and ortho-nitroanilines in gas and solution phases. Results have been compared with experimental data where available.

  17. The Role of Al and Li Concentration on the Formation of Cubic Garnet Solid Electrolyte of Nominal Composition Li7La3Zr2O12

    Science.gov (United States)

    2011-01-01

    Introduction Li7La3Zr2O12 ( LLZO ) has recently become of high interest as a result of its potential as a solid state Li-ion conductor, because it has good...ionic conductivity (>10−4 S/cm) and is stable against lithium [1-8]. However, for the case of LLZO two phases exist; cubic and te- tragonal [1-9]. The...tetragonal phase. Thus, it is important to understand how to prepare the cubic phase. Several reports describe the synthesis and characterization of LLZO

  18. 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.

  19. Thermal evolution of La{sup 3+}/ZrO{sub 2} solid solutions obtained by mechanochemical activation

    Energy Technology Data Exchange (ETDEWEB)

    Fuertes, M.C.; Salgueiro, W.; Somoza, A.; Porto Lopez, J.M

    2004-01-15

    A study on the microstructural evolution with the temperature of La{sup 3+}/ZrO{sub 2} cubic solid solutions obtained by mechanochemical activation of mixtures ZrO{sub 2}-La{sub 2}O{sub 3} is presented. The development of crystallinity with thermal treatments in the range 1073-1673 K was followed by means of positron lifetime measurements and X-ray diffraction as main experimental techniques.

  20. Exact solution for the unforced Duffing oscillator with cubic and quintic nonlinearities

    OpenAIRE

    Beléndez,Augusto; Beléndez Vázquez, Tarsicio; Martínez Guardiola, Francisco Javier; Pascual Villalobos, Carolina; Álvarez López, Mariela Lázara; Arribas Garde, Enrique

    2016-01-01

    The nonlinear differential equation governing the periodic motion of the one-dimensional, undamped, unforced cubic–quintic Duffing oscillator is solved exactly, providing exact expressions for the period and the solution. The period is given in terms of the complete elliptic integral of the first kind and the solution involves Jacobi elliptic functions. Some particular cases obtained varying the parameters that characterize this oscillator are presented and discussed. The behaviour of the per...

  1. Synthesis and solid-state NMR characterization of cubic mesoporous silica SBA-1 functionalized with sulfonic acid groups.

    Science.gov (United States)

    Tsai, Hui-Hsu Gavin; Chiu, Po-Jui; Jheng, Guang-Liang; Ting, Chun-Chiang; Pan, Yu-Chi; Kao, Hsien-Ming

    2011-07-01

    Well-ordered cubic mesoporous silicas SBA-1 functionalized with sulfonic acid groups have been synthesized through in situ oxidation of mercaptopropyl groups with H(2)O(2) via co-condensation of tetraethoxysilane (TEOS) and 3-mercaptopropyltrimethoxysilane (MPTMS) templated by cetyltriethylammonium bromide (CTEABr) under strong acidic conditions. Various synthesis parameters such as the amounts of H(2)O(2) and MPTMS on the structural ordering of the resultant materials were systematically investigated. The materials thus obtained were characterized by a variety of techniques including powder X-ray diffraction (XRD), multinuclear solid-state Nuclear Magnetic Resonance (NMR) spectroscopy, (29)Si{(1)H} 2D HETCOR (heteronuclear correlation) NMR spectroscopy, thermogravimetric analysis (TGA), and nitrogen sorption measurements. By using (13)C CPMAS NMR technique, the status of the incorporated thiol groups and their transformation to sulfonic acid groups can be monitored and, as an extension, to define the optimum conditions to be used for the oxidation reaction to be quantitative. In particular, (29)Si{(1)H} 2D HETCOR NMR revealed that the protons in sulfonic acid groups are in close proximity to the silanol Q(3) species, but not close enough to form a hydrogen bond.

  2. 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.

  3. Iron-stabilized nanocrystalline ZrO{sub 2} solid solutions: Synthesis by combustion and thermal stability

    Energy Technology Data Exchange (ETDEWEB)

    Legorreta Garcia, Felipe [Universite de Toulouse, CIRIMAT, CNRS-UPS-INP, Universite Paul-Sabatier, 31062 Toulouse cedex 9 (France); Resende, Valdirene Gonzaga de; De Grave, Eddy [NUMAT, Department of Subatomic and Radiation Physics, University of Ghent, Proeftuinstraat 86, B-9000 Gent (Belgium); Peigney, Alain; Barnabe, Antoine [Universite de Toulouse, CIRIMAT, CNRS-UPS-INP, Universite Paul-Sabatier, 31062 Toulouse cedex 9 (France); Laurent, Christophe, E-mail: laurent@chimie.ups-tlse.fr [Universite de Toulouse, CIRIMAT, CNRS-UPS-INP, Universite Paul-Sabatier, 31062 Toulouse cedex 9 (France)

    2009-06-03

    The synthesis of Fe{sup 3+}-stabilized zirconia by the nitrate/urea combustion route was investigated. Using several characterization techniques, including X-ray diffraction, field-emission-gun scanning electron microscopy and notably Moessbauer spectroscopy, it was possible to determine the appropriate amount of urea that allows to obtain a totally stabilized Zr{sub 0.9}Fe{sub 0.1}O{sub 1.95} solid solution. The nanocrystalline zirconia solid solution is mostly tetragonal, but the presence of the cubic phase could not be ruled out. An in-depth study of the thermal stability in air showed that the Fe{sup 3+} solubility in the stabilized solid solution starts to decrease at about 875 deg. C which results in the formation of hematite (possibly containing some Zr{sup 4+}) at the surface of the zirconia grains and further provokes the progressive transformation into the monoclinic zirconia phase.

  4. Effect of doping elements on catalytic performance of CeO2-ZrO2 solid solutions

    Institute of Scientific and Technical Information of China (English)

    LI Mei; LIU Zhaogang; HU Yanhong; WANG Mitang; LI Hangquan

    2008-01-01

    CeZr, CeYZr, LaCeZr, LaCePrZr, LaCePrYZr, and LaCePr solid solutions were prepared via the coprecipitation method, and characterized by means of X-Ray Diffraction (XRD) and Brunauer-Emmett-Teller (BET) techniques. The oxygen storage capacity (OSC) of the solid solutions was evaluated by the pulse technique and the catalytic activity was assessed using a 4-channel catalysis device. It was seen that the solid solutions presented cubic structure. The specific surface area and thermal stability could be enhanced by doping Y into the solid solutions. Doping a small amount of La had a positive effect on the thermal durability while doping a large amount of La decreased the specific surface area and the thermal stability. LaCePrZr and LaCePrYZr solid solutions synthesized using Baotou rare earth mineral residue enriched with LaCePr after Nd extraction presented a certain higher value in specific surface area and thermal stability, thereby enabling to be used as economic catalysts for automobile exhaust purification. Coating Al2O3 or SiO2 layer on the surface of ceria-zirconia solid solutions increased the specific surface area and thermal resistance.

  5. 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.

  6. Solid solution hardening of molecular crystals: tautomeric polymorphs of omeprazole.

    Science.gov (United States)

    Mishra, Manish Kumar; Ramamurty, Upadrasta; Desiraju, Gautam R

    2015-02-11

    In the context of processing of molecular solids, especially pharmaceuticals, hardness is an important property that often determines the manufacturing steps employed. Through nanoindentation studies on a series of omeprazole polymorphs, in which the proportions of the 5- and 6-methoxy tautomers vary systematically, we demonstrate that solid-solution strengthening can be effectively employed to engineer the hardness of organic solids. High hardness can be attained by increasing lattice resistance to shear sliding of molecular layers during plastic deformation.

  7. Thermal vacancy formation energies of random solid solutions

    OpenAIRE

    Luo, H. B.; Hu, Q. M.; Du, J.; Yan, A. R.; Liu, J. P.

    2017-01-01

    Vacancy mechanism plays a dominant role in the atomic migration when a close-packed disordered alloy undergoes ordering transition. However, the calculation of thermal vacancy formation energies (VFEs) of random solid solutions is usually cumbersome due to the difficulty in considering various local atomic environments. Here, we propose a transparent way that combines coherent potential approximation and supercell-local cluster expansion to investigate VFEs of random solid solutions. This met...

  8. Analytical Solution for Isentropic Flows in Solids

    Science.gov (United States)

    Heuzé, Olivier

    2009-12-01

    In the XIXth century, Riemann gave the equations system and the exact solution for the isentropic flows in the case of the ideal gas. But to our knowledge, nothing has been done to apply it to condensed media. Many materials of practical interest, for instance metals, obey to the linear law D = c+s u, where D is the shock velocity, u the particle velocity, and c and s properties of the material. We notice that s is strongly linked to the fundamental derivative. This means that the assumption of constant fundamental derivative is useful in this case, as it was with the isentropic gamma in the Riemann solution. Then we can apply the exact Riemann solution for these materials. Although the use of the hypergeometric function is complicated in this case, we obtain a very good approximation with the development in power series.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-01-15

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

  10. Solid Solubility, Raman Spectra and Electrical Property of the Solid Solutions Ce1-xNdxO2-δ by Sol-gel Route

    Institute of Scientific and Technical Information of China (English)

    LIN Xiao-Min; LI,Li-Ping; LI,Guang-She; SU,Wen-Hui

    2001-01-01

    Ce1-xNdx O2-δ(x = 0.05-0. 55) solid solutions prepared by sol-gel route were crystallized in a cubic fluorite structure. The solid limit was determined to be as high as x = 0.45. Ra man spectra of the solid solutions with lower composition ex hibited only one band, which was assigned to F2g mode. In creasing composition produced broad and asymmetric F2g mode with an appearance of low frequency tail. The new broad peak observed at higher frequency side of the F2g mode associated with the oxygen vacancy in the lattice. The impedance spectra of the solid solutions showed definitely ionic conduction, and Ce0.80 Nd0.20 O2-δ solid solution possessed a maximum conductivity. At 500℃, the conductivity and acti vation energy were 2.65 × 10-3S/cm and 0.82 eV, respectively.

  11. 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.

  12. Alloy softening in binary iron solid solutions

    Science.gov (United States)

    Stephens, J. R.; Witzke, W. R.

    1976-01-01

    An investigation was conducted to determine softening and hardening behavior in 19 binary iron-alloy systems. Microhardness tests were conducted at four temperatures in the range 77 to 411 K. Alloy softening was exhibited by 17 of the 19 alloy systems. Alloy softening observed in 15 of the alloy systems was attributed to an intrinsic mechanism, believed to be lowering of the Peierls (lattice friction) stress. Softening and hardening rates could be correlated with the atomic radius ratio of solute to iron. Softening observed in two other systems was attributed to an extrinsic mechanism, believed to be associated with scavenging of interstitial impurities.

  13. Efficient and Color-Tunable Oxyfluoride Solid Solution Phosphors for Solid-State White Lighting

    Energy Technology Data Exchange (ETDEWEB)

    Im, Won Bin; George, Nathan; Kurzman, Joshua; Brinkley, Stuart; Mikhailovsky, Alexander; Hu, Jerry; Chmelka, Bradley F.; DenBaars, Steven P.; Seshadri, Ram (UCSB)

    2012-09-06

    A solid solution strategy helps increase the efficiency of Ce{sup 3+} oxyfluoride phosphors for solid-state white lighting. The use of a phosphor-capping architecture provides additional light extraction. The accompanying image displays electroluminescence spectra from a 434-nm InGaN LED phosphor that has been capped with the oxyfluoride phosphor.

  14. 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.

  15. 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.

  16. Forces between hydrophobic solids in concentrated aqueous salt solution.

    Science.gov (United States)

    Mastropietro, Dean J; Ducker, William A

    2012-03-09

    Much research has focused on the discovery and description of long-ranged forces between hydrophobic solids immersed in water. Here we show that the force between high contact-angle solids in concentrated salt solution (1 M KCl) agrees very well with van der Waals forces calculated from Lifshitz theory for separations greater than 5 nm. The hydrophobic solids are octadecyltrichlorosilane-coated glass, with an advancing contact angle of 108°. Thus, in 1 M salt solution, it is unnecessary to invoke the presence of a hydrophobic force at separations greater than 5 nm. Through measurement in salt solution, we avoid the necessity of accounting for large electrostatic forces that frequently occur in pure water and may obscure resolution of other forces.

  17. Solid-solution thermodynamics in Al-Li alloys

    Science.gov (United States)

    Alekseev, A. A.; Lukina, E. A.

    2016-05-01

    The relative equilibrium concentrations of lithium atoms distributed over different electron-structural states has been estimated. The possibility of the existence of various nonequilibrium electron-structural states of Li atoms in the solid solution in Al has been substantiated thermodynamically. Upon the decomposition of the supersaturated solid solution, the supersaturation on three electron-structural states of Li atoms that arises upon the quenching of the alloy can lead to the formation of lithium-containing phases in which the lithium atoms enter in one electron-structural state.

  18. 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.

  19. Anomalous birefringence in andradite-grossular solid solutions: a quantum-mechanical approach

    Science.gov (United States)

    Lacivita, Valentina; D'Arco, Philippe; Orlando, Roberto; Dovesi, Roberto; Meyer, Alessio

    2013-11-01

    The static linear optical properties (refractive indices, birefringence and axial angle) of andradite-grossular (Ca3Fe2Si3O12-Ca3Al2Si3O12) solid solutions have been computed at the ab initio quantum-mechanical level through the Coupled Perturbed Kohn-Sham scheme, using an all-electron Gaussian-type basis set. Geometry relaxation after substitution of 1-8 Al for Fe atoms in the primitive cell of andradite yields 23 non-equivalent configurations ranging from cubic to triclinic symmetry. Refractive indices vary quite regularly between the andradite (1.860) and grossular (1.671) end-members; the birefringence δ and the axial angle 2 V at intermediate compositions can be as large as 0.02° and 89°, respectively. Comparison with experiments suffers from inhomogeneities and impurities of natural samples; however, semi-quantitative agreement is observed.

  20. 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.

  1. Synthesis of Cubic Phase-Co Microspheres by Mechanical Solid-State Reaction-Thermal Decomposition and Research on Its Growth Kinetics

    Directory of Open Access Journals (Sweden)

    Ying Deng

    2016-01-01

    Full Text Available Cubic phase cobalt (Co, which can be used as a key component for composite materials given its excellent ductility and internal structure, is not easy to obtain at room temperature. In this study, oxalic acid and cobalt nitrate are used as raw materials to synthesize the cobalt oxalate precursor, which has a stable structure with a five-membered chelate ring. Cobalt oxalate microspheres, having a high internal energy content, were prepared by using mechanical solid-state reaction in the presence of a surfactant, which can produce spherical micelles. The thermal decomposition of the precursor was carried out by maintaining it in a nitrogen atmosphere at 450°C for 3 h. At the end of the procedure, 100 nm cubic phase-Co microspheres, stable at room temperature, were obtained. Isothermal and nonisothermal kinetic mechanisms of cobalt grain growth were investigated. The cubic-Co grain growth activation energy, Q, was calculated in this study to be 71.47 kJ/mol. The required reaction temperature was low, making the production process simple and suitable for industrial applications.

  2. Solid and solution phase combinatorial synthesis of ureas

    NARCIS (Netherlands)

    Nieuwenhuijzen, JW; Conti, PGM; Ottenheijm, HCJ; Linders, JTM

    1998-01-01

    An efficient parallel synthesis of ureas based on amino acids is described, both in solution and on solid phase. 1,1'-Carbonylbisbenzotriazole 2 is used as the coupling reagent. The ureas 5 and 10 were obtained in high yield (80-100%) and purity (71-97%). (C) 1998 Elsevier Science Ltd. All rights re

  3. KNH2-KH: a metal amide-hydride solid solution.

    Science.gov (United States)

    Santoru, Antonio; Pistidda, Claudio; Sørby, Magnus H; Chierotti, Michele R; Garroni, Sebastiano; Pinatel, Eugenio; Karimi, Fahim; Cao, Hujun; Bergemann, Nils; Le, Thi T; Puszkiel, Julián; Gobetto, Roberto; Baricco, Marcello; Hauback, Bjørn C; Klassen, Thomas; Dornheim, Martin

    2016-09-27

    We report for the first time the formation of a metal amide-hydride solid solution. The dissolution of KH into KNH2 leads to an anionic substitution, which decreases the interaction among NH2(-) ions. The rotational properties of the high temperature polymorphs of KNH2 are thereby retained down to room temperature.

  4. 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.

  5. On the solution, the critical exponents and the transition equation of the simple cubic three-dimensional Ising model

    NARCIS (Netherlands)

    Hoede, C.; Zandvliet, H.J.W.

    2008-01-01

    In a recent paper Hoede and Zandvliet introduced the concept of gauging on an equation. This enables the simulation of more complex Ising models by the simple quadratic model. The possibility of simulating the simple cubic model was defended by calculating a sequence of approximations to the transit

  6. Effect of component substitution on the microstructure and mechanical properties of MCoCrFeNiTix (M = Cu,Al) solid-solution alloys

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    MCoCrFeNiTix (M = Cu,Al;x:molar ratio,x = 0,0.5) alloys were prepared using the new alloy-design strategy of equal-atomic ratio and high entropy.By the component substitution of Al for Cu,the microstructure changes from the face-centered cubic solid solution of original CuCoCrFeNiTix alloys to the body-centered cubic solid solution of AICoCrFeNiTix alloys.Compared with original CuCoCrFeNiTix alloys,AICoCrFeNiTix alloys keep the similar good ductility and simultaneously possess a much higher compressive strength,which are even superior to most of the reported high-strength alloys like bulk metallic glasses.

  7. 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.

  8. 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......-time limit at excitation below the exciton mobility edge. At excitation by photons with higher energies the diffusion of electrons can account for the observed behavior of the luminescence. [S0163-1829(99)11419-X]....

  9. 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...

  10. 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. .

  11. New travelling wave solutions of the (1 + 1-dimensional cubic nonlinear Schrodinger equation using novel (G′/G-expansion method

    Directory of Open Access Journals (Sweden)

    M.G. Hafez

    2016-06-01

    Full Text Available In this paper, the novel (G′/G-expansion method is applied to construct exact travelling wave solutions of the cubic nonlinear Schrodinger equation. This technique is straightforward and simple to use, and gives more new general solutions than the other existing methods. Various types of solitary and periodic wave solutions of this equation are derived. The obtained results may be helpful to describe the wave propagation in soliton physics, such as soliton propagation in optical fibers, modulus instability in plasma physics, etc. and provided us the firm mathematical foundation in soliton physics or any varied instances. Furthermore, three-dimensional modules plot of the solutions are also given to visualize the dynamics of the equation.

  12. Global Existence of Small Solutions for Cubic Quasi-linear Klein-Gordon Systems in One Space Dimension

    Institute of Scientific and Technical Information of China (English)

    Dao Yuan FANG; Ru Ying XUE

    2006-01-01

    In this paper, we consider a system of two cubic quasi-linear Klein-Gordon equations with different masses for small, smooth, compactly supported Cauchy data in one space dimension. We show that such a system has global existence when the nonlinearities satisfy a convenient null condition. Our results extend the global existence proved by Sunagawa recently under the non-resonance assumption to that under the resonance assumption.

  13. Existence of Limit Cycles for a Cubic Kolmogorov System with a Hyperbolic Solution%具有双曲线解的一类Kolmogorov三次系统极限环的存在性

    Institute of Scientific and Technical Information of China (English)

    沈伯骞; 刘德明

    2000-01-01

    This paper is concerned with a cubic Kolmogorov system with a solution of central quadratic curve which neither contacts with the coordinate axes, nor passes through the origin. The conclusion is that such a system may possess limit cycles.

  14. Extended Hansen approach: calculating partial solubility parameters of solid solutes.

    Science.gov (United States)

    Wu, P L; Beerbower, A; Martin, A

    1982-11-01

    A multiple linear regression method, known as the extended Hansen solubility approach, was used to estimate the partial solubility parameters, delta d, delta p, and delta h for crystalline solutes. The method is useful, since organic compounds may decompose near their melting points, and it is not possible, to determine solubility parameters for these solid compounds by the methods used for liquid solvents. The method gives good partial and total solubility parameters for naphthalene; with related compounds, less satisfactory results were obtained. At least three conditions, pertaining to the regression equation and the solvent systems, must be met in order to obtain reasonable solute solubility parameters. In addition to providing partial solubility parameters, the regression equations afford a calculation of solute solubility in both polar and nonpolar solvents.

  15. 一类三五阶Duffing振子的周期解%Periodic Solution of a Cubic-Quintic Duffing Oscillator

    Institute of Scientific and Technical Information of China (English)

    瑞亚兹·艾哈迈德·可罕

    2012-01-01

    三五阶Duffing振子(Cubic-Quintic Duffing Oscillator)在物理学和工程中有着重要的应用.提出了对大振幅振子研究的简化方法,找到了一个渐近解,并利用该解给出了三五阶Duffing振子周期的简单有效的表达式.结果显示,当0<A<∞时,基本谐波里的能量超过80%.%The cubic-quintic Duffing oscillator covers important applications in physics and engineering.A simplification of recent methods,for large amplitudes,is proposed.An asymptotic solution is found and utilized to find a simple uniformly valid expression for the period of a cubic-quintc Duffing oscillator.It is shown that for 0 < A < ∞,energy stored in the fundamental harmonic exceeds 80%.

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

    Energy Technology Data Exchange (ETDEWEB)

    Bradley, D. J.

    1978-04-01

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

  17. Radiation dose response estimation with emphasis on low dose range using restricted cubic splines: application to all solid cancer mortality data, 1950-2003, in atomic bomb survivors.

    Science.gov (United States)

    Nakashima, Eiji

    2015-07-01

    Using the all solid cancer mortality data set of the Life Span Study (LSS) cohort from 1950 to 2003 (LSS Report 14) data among atomic bomb survivors, excess relative risk (ERR) statistical analyses were performed using the second degree polynomial and the threshold and restricted cubic spline (RCS) dose response models. For the RCS models with 3 to 7 knots of equally spaced percentiles with margins in the dose range greater than 50 mGy, the dose response was assumed to be linear at less than 70 to 90 mGy. Due to the skewed dose distribution of atomic bomb survivors, the current knot system for the RCS analysis results in a detailed depiction of the dose response as less than approximately 0.5 Gy. The 6 knot RCS models for the all-solid cancer mortality dose response of the whole dose or less than 2 Gy were selected with the AIC model selection criterion and fit significantly better (p < 0.05) than the linear (L) model. The usual RCS includes the L-global model but not the quadratic (Q) nor linear-quadratic (LQ) global models. The authors extended the RCS to include L or LQ global models by putting L or LQ constraints on the cubic spline in the lower and upper tails, and the best RCS model selected with AIC criterion was the usual RCS with L-constraints in both the lower and upper tails. The selected RCS had a linear dose-response model in the lower dose range (i.e., < 0.2-0.3 Gy) and was compatible with the linear no-threshold (LNT) model in this dose range. The proposed method is also useful in describing the dose response of a specific cancer or non-cancer disease incidence/mortality.

  18. Room-Temperature Tensile Behavior of Oriented Tungsten Single Crystals with Rhenium in Dilute Solid Solution

    Science.gov (United States)

    1966-01-01

    SINGLE CRYSTALS WITH RHENIUM IN DILUTE SOLID SOLUTION Sby M. Garfinkle Lewis Research Center Cleveland, Ohio 20060516196 NATIONAL AERONAUTICS AND...WITH RHENIUM IN DILUTE SOLID SOLUTION By M. Garfinkle Lewis Research Center Cleveland, Ohio NATIONAL AERONAUTICS AND SPACE ADMINISTRATION For sale by...ORIENTED TUNGSTEN SINGLE CRYSTALS WITH RHENIUM IN DILUTE SOLID SOLUTION * by M. Garfinkle Lewis Research Center SUMMARY Tungsten single crystals

  19. Nanocrystalline Ce1- x La x O2- δ Solid Solutions Synthesized by Hydrolyzing and Oxidizing

    Science.gov (United States)

    Hou, Xueling; Xue, Yun; Han, Ning; Lu, Qianqian; Wang, Xiaochen; Phan, Manh-Huong; Zhong, Yunbo

    2016-05-01

    We undertook a novel batch production approach for the synthesis of CeO2 nanopowders doped with rare earth elements. Solid solution nanopowders of Ce1- x La x O2- δ ( x = 0.15) were successfully synthesized in a large-scale and low-cost production by hydrolyzing and oxidizing Ce-La-C alloys at room temperature and subsequent calcining of their powders at different temperatures (873-1073 K) for 1 h. The Ce-La-C alloys were prepared in a vacuum induction melting furnace. The final products were characterized by x-ray diffraction, transmission electron microscopy, Brunner-Emmet-Teller (BET) surface area analyzer, and Raman spectroscopy. The calculated lattice parameters of the cubic fluorite-type phase of CeO2 tended to increase when La3+ was incorporated into CeO2. The F 2g band shift and the absence of a peak corresponding to La2O3 in the Raman spectra consistently confirmed the incorporation of the La3+ ion into CeO2, and the formation of Ce1- x La x O2- δ solid solutions as manifested by increased oxygen vacancy defects. High-quality Ce1- x La x O2- δ nanopowders of ~10-15 nm diameter with a high BET surface area of ~77 m2 g-1 were obtained. The average crystallite size of Ce1- x La x O2- δ was found to be smaller than that of CeO2 for the same calcination temperature of 1073 K, demonstrating that the introduction of La3+ into CeO2 can stabilize the host lattice and refine the grain size at high temperatures.

  20. Structure, optical and electronic properties of solid solution Zn(O,S) thin films and the effect of annealing

    Science.gov (United States)

    Jani, Margi; Raval, Dhyey; Pati, Ranjan; Mukhopadhyay, Indrajit; Ray, Abhijit

    2017-06-01

    Structure, optical and electronic properties of solid solution thin films of Zn(O,S) developed by spray pyrolysis are investigated, and the effect of annealing is investigated for a possible improvement in its electrical properties. A variation in the initial sulphur (S) precursor concentration with fixed Zn-precursor concentration during the spray deposition produces a solid solution of ZnO and ZnS. Both the lower (80%) concentrations of the S-precursor cause isovalent substitution in the system, retaining hexagonal ZnO and cubic ZnS structures, respectively, whereas other concentrations lead to the formation of films in a phase-separated solid solution of ZnO and ZnS. A strain-induced shift in optical band gap in the range of 3.3-3.6 eV is unique in the system with a strong bowing effect. A post-annealing at 370 °C in air is found to improve electron mobility in the film, whereas the annealing in argon ambient improves its electrical conductivity.

  1. Promoter of (Ce-Zr)O2 Solid Solution Modified by Praseodymia in Three-Way Catalysts

    Institute of Scientific and Technical Information of China (English)

    汪文栋; 林培琰; 孟明; 伏义路; 胡天斗; 谢亚宁; 刘涛

    2003-01-01

    The three-way catalysts (TWCs) promoters (Ce-Zr)O2, (Pr-Ce-Zr)O2 and (Pr-Zr)O2 were prepared by sol-gel like method. They were characterized by XRD, EXAFS and BET surface area determination. The reduction features of the promoters were measured by temperature-programmed reduction (TPR) of H2 to access the potential for the promoters containing praseodymia as oxygen storage component in three-way catalyst. The (Pr-Zr)O2 cubic solid solution is formed at high temperature up to 800 ℃, which makes it more reducible than the (Ce-Zr)O2 solid solution. For the (Pr-Ce-Zr)O2 samples, the ternary solid solution plays an important role in the reduction process. The performance of the three-way catalysts with fully formulated Pt, Pd and Rh is proceeded by using both light-off temperature under a stoichiometric gas composition and the conversion of CO, C3H6 and NO under changing air/fuel ratio at a constant reaction temperature 400 ℃. The results indicate that a small amount of praseodymia doping into (Ce-Zr)O2 favors the light-off temperature of C3H6 and NO, and all the catalysts containing praseodymia obviously exhibits enhanced width of S value for NO conversion at lean region (S≥1.00).

  2. 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.

  3. Isomorphism and solid solutions among Ag- and Au-selenides

    Energy Technology Data Exchange (ETDEWEB)

    Palyanova, Galina A.; Seryotkin, Yurii V. [Sobolev Institute of Geology and Mineralogy, Novosibirsk (Russian Federation); Novosibirsk State University (Russian Federation); Kokh, Konstantin A., E-mail: k.a.kokh@gmail.com [Sobolev Institute of Geology and Mineralogy, Novosibirsk (Russian Federation); Novosibirsk State University (Russian Federation); Tomsk State University (Russian Federation); Bakakin, Vladimir V. [Nikolaev Institute of Inorganic Chemistry, Novosibirsk (Russian Federation)

    2016-09-15

    Au-Ag selenides were synthesized by heating stoichiometric mixtures of elementary substances of initial compositions Ag{sub 2−x}Au{sub x}Se with a step of x=0.25 (0≤x≤2) to 1050 °C and annealing at 500 °C. Scanning electron microscopy, optical microscopy, electron microprobe analysis and X-ray powder diffraction methods have been applied to study synthesized samples. Results of studies of synthesized products revealed the existence of three solid solutions with limited isomorphism Ag↔Au: naumannite Ag{sub 2}Se – Ag{sub 1.94}Au{sub 0.06}Se, fischesserite Ag{sub 3}AuSe{sub 2} - Ag{sub 3.2}Au{sub 0.8}Se{sub 2} and gold selenide AuSe - Au{sub 0.94}Ag{sub 0.06}Se. Solid solutions and AgAuSe phases were added to the phase diagram of Ag-Au-Se system. Crystal-chemical interpretation of Ag-Au isomorphism in selenides was made on the basis of structural features of fischesserite, naumannite, and AuSe. - Highlights: • Au-Ag selenides were synthesized. • Limited Ag-Au isomorphism in the selenides is affected by structural features. • Some new phases were introduced to the phase diagram Ag-Au-Se.

  4. 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.

  5. Cubic exact solutions for the estimation of pairwise haplotype frequencies: implications for linkage disequilibrium analyses and a web tool 'CubeX'

    Directory of Open Access Journals (Sweden)

    Day Ian NM

    2007-11-01

    Full Text Available Abstract Background The frequency of a haplotype comprising one allele at each of two loci can be expressed as a cubic equation (the 'Hill equation', the solution of which gives that frequency. Most haplotype and linkage disequilibrium analysis programs use iteration-based algorithms which substitute an estimate of haplotype frequency into the equation, producing a new estimate which is repeatedly fed back into the equation until the values converge to a maximum likelihood estimate (expectation-maximisation. Results We present a program, "CubeX", which calculates the biologically possible exact solution(s and provides estimated haplotype frequencies, D', r2 and χ2 values for each. CubeX provides a "complete" analysis of haplotype frequencies and linkage disequilibrium for a pair of biallelic markers under situations where sampling variation and genotyping errors distort sample Hardy-Weinberg equilibrium, potentially causing more than one biologically possible solution. We also present an analysis of simulations and real data using the algebraically exact solution, which indicates that under perfect sample Hardy-Weinberg equilibrium there is only one biologically possible solution, but that under other conditions there may be more. Conclusion Our analyses demonstrate that lower allele frequencies, lower sample numbers, population stratification and a possible |D'| value of 1 are particularly susceptible to distortion of sample Hardy-Weinberg equilibrium, which has significant implications for calculation of linkage disequilibrium in small sample sizes (eg HapMap and rarer alleles (eg paucimorphisms, q

  6. Global Existence and Convergence of Solutions to a Cross-Diffusion Cubic Predator-Prey System with Stage Structure for the Prey

    Directory of Open Access Journals (Sweden)

    Shengmao Fu

    2010-01-01

    Full Text Available We study a cubic predator-prey system with stage structure for the prey. This system is a generalization of the two-species Lotka-Volterra predator-prey model. Firstly, we consider the asymptotical stability of equilibrium points to the system of ordinary differential equations type. Then, the global existence of solutions and the stability of equilibrium points to the system of weakly coupled reaction-diffusion type are discussed. Finally, the existence of nonnegative classical global solutions to the system of strongly coupled reaction-diffusion type is investigated when the space dimension is less than 6, and the global asymptotic stability of unique positive equilibrium point of the system is proved by constructing Lyapunov functions.

  7. Structural Behaviour of Solid Solutions in the NdAlO3-SrTiO3 System

    Science.gov (United States)

    Ohon, Natalia; Stepchuk, Roman; Blazhivskyi, Kostiantyn; Vasylechko, Leonid

    2017-02-01

    Single-phase mixed aluminates-titanates Nd1- x Sr x Al1- x Ti x O3 ( x = 0.3 ÷ 0.9) were prepared from stoichiometric amounts of constituent oxides Nd2O3, Al2O3, TiO2 and strontium carbonate SrCO3 by solid-state reaction technique in air at 1773 K. Crystal structure parameters of Nd1- x Sr x Al1- x Ti x O3 were refined by full-profile Rietveld refinement in space groups R overline{3} c ( x = 0.3, 0.5, 0.7 and 0.8) and Pm overline{3} m ( x = 0.9). Comparison of the obtained structural parameters with the literature data for the end members of the system NdAlO3 and SrTiO3 revealed formation of two kinds of solid solutions Nd1-xSrxAl1-xTixO3 with the cubic and rhombohedral perovskite structure. Morphotropic rhombohedral-to-cubic phase transition in Nd1-xSrxAl1-xTixO3 series occurs at x = 0.84. Based on the results obtained as well as the literature data for the parent compounds, the tentative phase diagram of the NdAlO3-SrTiO3 pseudo-binary system have been constructed.

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

    Science.gov (United States)

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

    2016-01-01

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

  9. Creep Behavior of Solid Solution Strengthened Y3Al5O12

    Science.gov (United States)

    2007-11-02

    DATES COVERED Final Technical Report 15 Feb 97 to 29 Aug 97 4. TITLE AND SUBTITLE Creep Behavior of Solid Solution Strengthened Y3A15012 6...Final Report Title: Creep Behavior of Solid Solution Strengthened Y3AI5012 Award Number: F49620-97-1-0097 For the period of: 2/14/97-8/31/97...been investigated at present in these oxides is through the formation of solid solution alloys. For the case of oxides two different possible solid

  10. 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.

  11. 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.

  12. Unique Challenges for Modeling Defect Dynamics in Concentrated Solid-Solution Alloys

    Science.gov (United States)

    Zhao, Shijun; Weber, William J.; Zhang, Yanwen

    2017-07-01

    Recently developed concentrated solid solution alloys (CSAs) are shown to have improved performance under irradiation that depends strongly on the number of alloying elements, alloying species, and their concentrations. In contrast to conventional dilute alloys, CSAs are composed of multiple principal elements situated randomly in a simple crystalline lattice. As a result, the intrinsic disorder has a profound influence on energy dissipation pathways and defect evolution when these CSAs are subjected to energetic particle irradiation. Extraordinary irradiation resistance, including suppression of void formation by two orders of magnitude at an elevated temperature, has been achieved with increasing compositional complexity in CSAs. Unfortunately, the loss of translational invariance associated with the intrinsic chemical disorder poses great challenges to theoretical modeling at the electronic and atomic levels. Based on recent computer simulation results for a set of novel Ni-containing, face-centered cubic CSAs, we review theoretical modeling progress in handling disorder in CSAs and underscore the impact of disorder on defect dynamics. We emphasize in particular the unique challenges associated with the description of defect dynamics in CSAs.

  13. Evolution of Phase, Microstructure and ZrC Lattice Parameter in Solid-solution-treated W-ZrC Composite.

    Science.gov (United States)

    Jia, Peng; Chen, Lei; Rao, Jiancun; Wang, Yujin; Meng, Qingchang; Zhou, Yu

    2017-07-26

    Zirconium carbide (ZrC) reinforced tungsten (W) composite was hot-pressed at 2200 °C for 1 h in vacuum, which was subsequently heat treated in the temperature range of 2200 to 2500 °C for 1.5 or 2 h. The relative ratios of ZrC phase were 21.0, 23.3 and 25.9 mol.% for the mixture of starting powders, composites sintered for 1 h and solid-solution treated at 2500 °C for 1.5 h, respectively. The solid solubility of W in ZrC increased with the increment in heat-treating temperature and time to a maximum value of 18.9 mol.% at 2500 °C for 1.5 h. The lattice parameter of cubic ZrC phase diminished from 0.4682 nm in the starting powder to 0.4642 nm in the solid-solution composite treated at 2500 °C for 1.5 h. This work demonstrated that the relationship between the solid solubility of W in ZrC and the lattice parameter of ZrC is linear, with a slope of -1.93 × 10(-4) nm/at.%. Overall, more W atoms diffused into ZrC lattice after heat treatment, meanwhile, the previous precipitated nano-sized W dissolved in the supersaturated (Zr,W)C solid-solution, as detected by SEM and TEM.

  14. 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.

  15. Solving Cubic Equations by Polynomial Decomposition

    Science.gov (United States)

    Kulkarni, Raghavendra G.

    2011-01-01

    Several mathematicians struggled to solve cubic equations, and in 1515 Scipione del Ferro reportedly solved the cubic while participating in a local mathematical contest, but did not bother to publish his method. Then it was Cardano (1539) who first published the solution to the general cubic equation in his book "The Great Art, or, The Rules of…

  16. Decay of oxygen solid solution in plastically deformed silicon

    Energy Technology Data Exchange (ETDEWEB)

    Yarykin, N. [Institute of Microelectronics Technology RAS, Chernogolovka (Russian Federation); Vdovin, V.I. [Institute for Chemical Problems of Microelectronics, Moscow (Russian Federation)

    2005-04-01

    Decay of the oxygen solid solution in silicon during annealing at 550-700 C is studied by the IR absorption technique in the single crystalline samples subjected to the plastic deformation to a high dislocation density at 680 C. The deformation is shown to significantly enhance the rate of the decay in the whole temperature range studied. Based on the simple model, which assumes the heterogeneous oxygen aggregation at dislocations, the effective oxygen diffusivity is calculated from the experimental data. The activation energy of oxygen diffusion in this temperature range is found to be about 1.6 eV, which is essentially lower than that for the isolated interstitial oxygen atom. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  17. Solid-state 13C NMR study of banana liquid crystals - 3: Alkyl-tail-group packing environments of an acute-angle bent-core molecule in the hexagonal columnar and cubic phases

    Science.gov (United States)

    Kurosu, Hiromichi; Endo, Yumi; Kimura, Saori; Hashimoto, Tomoko; Harada, Motoi; Lee, Eun-Woo; Sone, Masato; Watanabe, Junji; Kang, Sungmin

    2016-02-01

    Solid-state 13C nuclear magnetic resonance (NMR) measurements were performed on the hexagonal columnar and cubic phases of an acute-angle banana-shaped molecule, N(1,7)-S30. In the hexagonal columnar phase, three peaks appear at the NMR chemical shifts assigned to the internal methylene carbons of alkyl tails, indicating that the two alkyl tails have different packing structures, and one of the tails has two different conformations within a single molecule. Combined cross-polarization/magic-angle spinning and pulse saturation transfer/magic-angle spinning measurements show that one of the alkyl chains is located inside and the other is located outside the columnar structure. In the cubic phase, pulse saturation transfer/magic-angle spinning measurement shows that only one peak appears at the NMR chemical shifts assigned to the internal methylene carbons of alkyl tails, indicating that both of the alkyl chains are located outside the cubic structure.

  18. Order-disorder transition and electrical conductivity of the brownmillerite solid-solutions system Ba sub 2 (In, M) sub 2 O sub 5 (M=Ga, Al)

    CERN Document Server

    Yamamura, H; Kakinuma, K; Mori, T; Haneda, H

    1999-01-01

    The brownmillerite solid-solution systems Ba sub 2 (In sub 1 sub - sub x M sub x) sub 2 O sub 5 (M=Ga, Al) were investigated by means of high-temperature X-ray diffraction (XRD), dilatometry, and electrical-conductivity measurements. XRD showed that the Ba sub 2 (In sub 1 sub - sub x Ga sub x) sub 2 O sub 5 system had orthorhombic symmetry in the composition range 0.0<=x<=0.2 and cubic symmetry in the range 0.3<=x. The Al system also changed to cubic symmetry from orthorhombic symmetry in the range 0.2<=x. While the orthorhombic phase showed an order-disorder transition in the electrical conductivity measurements, the transition temperature decreased with increasing the M content. The order-disorder transition temperature and the crystal-structure transition temperature were very different. Such a transition was not observed in the cubic phases, and their electrical conductivity were fairly low compared to those of the disordered cubic phase after the transition due to the heating process. These p...

  19. UNIFORM BOUNDEDNESS AND STABILITY OF SOLUTIONS TO A CUBIC PREDATOR-PREY SYSTEM WITH CROSS-DIFFUSION

    Institute of Scientific and Technical Information of China (English)

    Huaihuo Cao; Shengmao Fu

    2009-01-01

    Using the energy estimate and Gagliardo-Nirenberg-typo inequalities,the exi-tence and uniform boundedness of the global solutions to a strongly coupled reaction-zdiffusion system are proved. This system is a generalization of the two-species Lotka-Volterra predator-prey model with serf and cross-diffusion. Sufficient condition for the global asymptotic stability of the positive equilibrium point of the model is given by constructing Lyapunov function.

  20. UNIFORM BOUNDEDNESS AND STABILITY OF SOLUTIONS TO A CUBIC PREDATOR-PREY SYSTEM WITH CROSS-DIFFUSION

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    Using the energy estimate and Gagliardo-Nirenberg-type inequalities,the existence and uniform boundedness of the global solutions to a strongly coupled reaction-diffusion system are proved. This system is a generalization of the two-species Lotka-Volterra predator-prey model with self and cross-diffusion. Suffcient condition for the global asymptotic stability of the positive equilibrium point of the model is given by constructing Lyapunov function.

  1. Investigation of Propellant and Explosive Solid Solution Systems II X-Ray Studies

    Science.gov (United States)

    1978-03-01

    A\\Yj* ^\\C/*^ ^ 1 tatf AD 7t ott w AD-E400 125 TECHNICAL REPORT ARLCD-TR-77066 INVESTIGATION OF PROPELLANT AND EXPLOSIVE SOLID SOLUTION SYSTEMS...Report ARLCD-TR-77066 2. GOVT ACCESSION NO. *. TITLE (and Subtitle) INVESTIGATION OF PROPELLANT AND EXPLOSIVE SOLID SOLUTION SYSTEMS II X-RAY...Interplanar spacings and x-ray diffraction 9 intensities of AP, KP and their physical mixtures and solid solutions 4 X-ray data of 3 AN: KP solid solution and

  2. 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

  3. 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.

  4. 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.

  5. Exact solutions of the (2+1-dimensional cubic Klein–Gordon equation and the (3+1-dimensional Zakharov–Kuznetsov equation using the modified simple equation method

    Directory of Open Access Journals (Sweden)

    Kamruzzaman Khan

    2014-04-01

    Full Text Available Exact solutions of nonlinear evolution equations (NLEEs play a vital role to reveal the internal mechanism of complex physical phenomena. In this article, we implemented the modified simple equation (MSE method for finding the exact solutions of NLEEs via the (2+1-dimensional cubic Klein–Gordon (cKG equation and the (3+1-dimensional Zakharov–Kuznetsov (ZK equation and achieve exact solutions involving parameters. When the parameters are assigned special values, solitary wave solutions are originated from the exact solutions. It is established that the MSE method offers a further influential mathematical tool for constructing exact solutions of NLEEs in mathematical physics.

  6. Solution processeable organic-inorganic hybrids based on pyrene functionalized mixed cubic silsesquioxanes as emitters in OLEDs

    KAUST Repository

    Yang, Xiaohui

    2012-01-01

    Traditional materials for application in organic light emitting diodes (OLEDs) are primarily based on small molecules and polymers, with much fewer examples of intermediate molecular weight materials. Our interest lies in this intermediate molecular weight range, specifically in hybrids based on 3-dimensional silsesquioxane (SSQ) cores that represents a new class of versatile materials for application in solution processable OLEDs. We report here various SSQ based hybrids that are easily prepared in one high-yield step from the Heck coupling of commercially available 1-bromopyrene, and 1-bromo-4-heptylbenzene with octavinyl-T8-SSQ, and a mixture of octavinyl-T8-, decavinyl-T10- and dodecavinyl-T12-SSQ. The resulting materials offer numerous advantages for OLEDs including amorphous properties, high-glass-transition temperatures (T g), low polydispersity, solubility in common solvents, and high purity via column chromatography. Solution processed OLEDs prepared from the SSQ hybrids provide sky-blue emission with external quantum efficiencies and current efficiencies of 3.64% and 9.56 cd A -1 respectively. © 2012 The Royal Society of Chemistry.

  7. Extended solid solutions and coherent transformations in nanoscale olivine cathodes.

    Science.gov (United States)

    Ravnsbæk, D B; Xiang, K; Xing, W; Borkiewicz, O J; Wiaderek, K M; Gionet, P; Chapman, K W; Chupas, P J; Chiang, Y-M

    2014-03-12

    Nanoparticle LiFePO4, the basis for an entire class of high power Li-ion batteries, has recently been shown to exist in binary lithiated/delithiated states at intermediate states of charge. The Mn-bearing version, LiMn(y)Fe(1-y)PO4, exhibits even higher rate capability as a lithium battery cathode than LiFePO4 of comparable particle size. To gain insight into the cause(s) of this desirable performance, the electrochemically driven phase transformation during battery charge and discharge of nanoscale LiMn0.4Fe0.6PO4 of three different average particle sizes, 52, 106, and 152 nm, is investigated by operando synchrotron radiation powder X-ray diffraction. In stark contrast to the binary lithiation states of pure LiFePO4 revealed in recent investigations, the formations of metastable solid solutions covering a remarkable wide compositional range, including while in two-phase coexistence, are observed. Detailed analysis correlates this behavior with small elastic misfits between phases compared to either pure LiFePO4 or LiMnPO4. On the basis of time- and state-of-charge dependence of the olivine structure parameters, we propose a coherent transformation mechanism. These findings illustrate a second, completely different phase transformation mode for pure well-ordered nanoscale olivines compared to the well-studied case of LiFePO4.

  8. Solidification and crystal growth of solid solution semiconducting alloys

    Energy Technology Data Exchange (ETDEWEB)

    Lehoczky, S.L.; Szofran, F.R.

    1984-10-01

    Problems associated with the solidification and crytal growth of solid-solution semiconducting alloy crystals in a terrestrial environment are described. A detailed description is given of the results for the growth of mercury cadmium telluride (HgCdTe) alloy crystals by directional solidification, because of their considerable technological importance. A series of HgCdTe alloy crystals are grown from pseudobinary melts by a vertical Bridgman method using a wide range of growth rates and thermal conditions. Precision measurements are performed to establish compositional profiles for the crystals. The compositional variations are related to compositional variations in the melts that can result from two-dimensional diffusion or density gradient driven flow effects ahead of the growth interface. These effects are discussed in terms of the alloy phase equilibrium properties, the recent high temperature thermophysical data for the alloys and the highly unusual heat transfer characteristics of the alloy/ampule/furnace system that may readily lead to double diffusive convective flows in a gravitational environment.

  9. Solidification and crystal growth of solid solution semiconducting alloys

    Science.gov (United States)

    Lehoczky, S. L.; Szofran, F. R.

    1984-01-01

    Problems associated with the solidification and crytal growth of solid-solution semiconducting alloy crystals in a terrestrial environment are described. A detailed description is given of the results for the growth of mercury cadmium telluride (HgCdTe) alloy crystals by directional solidification, because of their considerable technological importance. A series of HgCdTe alloy crystals are grown from pseudobinary melts by a vertical Bridgman method using a wide range of growth rates and thermal conditions. Precision measurements are performed to establish compositional profiles for the crystals. The compositional variations are related to compositional variations in the melts that can result from two-dimensional diffusion or density gradient driven flow effects ahead of the growth interface. These effects are discussed in terms of the alloy phase equilibrium properties, the recent high temperature thermophysical data for the alloys and the highly unusual heat transfer characteristics of the alloy/ampule/furnace system that may readily lead to double diffusive convective flows in a gravitational environment.

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

    Directory of Open Access Journals (Sweden)

    Kowal Karol

    2015-03-01

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

  11. Surface and Texture Properties of Tb-Doped Ceria-Zirconia Solid Solution Prepared by Sol-Gel Method

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    The three-way catalysts (TWCs) promoters Ce0.6Zr0.4-xTbxO2-y were prepared by sol-gel method. BET surface areas analysis indicated that an increase of the dopant Tb content from x=0.05 to x=0.15 favors an increase of surface area from 66.8 to 80.4 m2·g-1 compared with the undoped sample Ce0.60Zr0.40O2 65.1 m2·g-1 after calcination at 650 ℃. Transmission electron microscopy (TEM) observation indicated that the doped samples have a higher thermal stability. The XRD and Raman spectra confirmed that the Ce0.6Zr0.4-xTbxO2-y cubic solid solution is formed. XPS analysis revealed that Ce and Tb mainly existed in the form of Ce4+ and Tb3+, and Zr existed in the form of Zr4+ on the surface of the samples. The doped samples were homogenous in composition;the introduction of Tb into the CeO2-ZrO2 promoters resulted in the formation of a solid solution, and the concentration of surface lattice oxygen was increased.

  12. Comparative solution and solid-phase glycosylations toward a disaccharide library

    DEFF Research Database (Denmark)

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

    2009-01-01

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

  13. Solid solution, phase separation, and cathodoluminescence of GaP-ZnS nanostructures.

    Science.gov (United States)

    Liu, Baodan; Bando, Yoshio; Dierre, Benjamin; Sekiguchi, Takashi; Golberg, Dmitri; Jiang, Xin

    2013-09-25

    Quaternary solid-solution nanowires made of GaP and ZnS have been synthesized through well-designed synthetic routines. The as-synthesized GaP-ZnS solid-solution nanowires exhibit decent crystallinity with the GaP phase as the host, while a large amount of twin structural defects are observed in ZnS-rich nanowires. Cathodoluminescence studies showed that GaP-rich solid-solution nanowires have a strong visible emission centered at 600 nm and the ZnS-rich solid-solution nanowires exhibited a weak emission peak in the UV range and a broad band in the range 400-600 nm. The formation mechanism, processes, and optical emissions of GaP-ZnS solid-solution nanowires were discussed in detail.

  14. Synthesis of octahedral, truncated octahedral, and cubic Rh2Ni nanocrystals and their structure-activity relationship for the decomposition of hydrazine in aqueous solution to hydrogen

    Science.gov (United States)

    Li, Chun; Wang, Tao; Chu, Wei; Wu, Ping; Tong, Dong Ge

    2016-03-01

    We developed a co-reduction method to synthesize octahedral, truncated octahedral, and cubic Rh2Ni nanocrystals. The shape/size distribution, structural characteristics, and composition of the Rh2Ni nanocrystals are investigated, and their possible formation mechanism at high temperatures in margaric acid/1-aminoheptadecane solution in the presence of tetraethylgermanium and borane trimethylamine complexes is proposed. A preliminary probing of the structure-activity dependence of the surface ``clean'' Rh2Ni nanocrystals supported on carbon towards hydrazine (N2H4) in aqueous solution dehydrogenation revealed that the higher the percentage of {111} facets, the higher is the activity and H2 selectivity of the nanocrystals. This result was attributed to the {111} facets not only introducing more basic sites, but also weakening the interaction between the produced adspecies (including H2 and NHx) and surface metal atoms in comparison with those of {100} facets. Furthermore, the as-prepared Rh2Ni nanooctahedra exhibited 100% H2 selectivity and high activity at room temperature for H2 generation via N2H4 decomposition. The activation energy of the Rh2Ni nanooctahedra was 41.6 +/- 1.2 kJ mol-1. The Rh2Ni nanooctahedra were stable catalysts for the hydrolytic dehydrogenation of N2H4, providing 27 723 total turnovers in 30 h. Our work provides a new perspective concerning the possibility of constructing hydrogen-producing systems based on N2H4 and surface ``clean'' Rh2Ni nanocrystal catalysts with defined shapes supported on carbon that possess a competitive performance in comparison with NaBH4 and NH3BH3 hydrogen-producing systems for fuel cell applications.We developed a co-reduction method to synthesize octahedral, truncated octahedral, and cubic Rh2Ni nanocrystals. The shape/size distribution, structural characteristics, and composition of the Rh2Ni nanocrystals are investigated, and their possible formation mechanism at high temperatures in margaric acid/1

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

    Science.gov (United States)

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

    2011-09-15

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

  16. 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....

  17. Evolution of mixed surfactant aggregates in solutions and at solid/solution interfaces

    Science.gov (United States)

    Zhang, Rui

    Surfactant systems have been widely used in such as enhanced oil recovery, waste treatment and metallurgy, etc., in order to solve the problem of global energy crisis, to remove the pollutants and to generate novel energy resources. Almost all surfactant systems are invariably mixtures due to beneficial and economic considerations. The sizes and shapes of aggregates in solutions and at solid/solution interfaces become important, since the nanostructures of mixed aggregates determine solution and adsorption properties. A major hurdle in science is the lack of information on the type of complexes and aggregates formed by mixtures and the lack of techniques for deriving such information. Using techniques such as analytical ultracentrifuge, small angle neutron scattering, surface tension, fluorescence, cryo-TEM, light scattering and ultrafiltration, the nanostructures of aggregates of sugar based n-dodecyl-beta-D-maltoside (DM) and nonionic pentaethyleneglycol monododecyl ether or nonyl phenol ethoxylated decyl ether (NP-10) and their mixtures have been investigated to prove the hypothesis that the aggregation behavior is linked to packing of the surfactant governed by the molecular interactions as well as the molecular structures. The results from both sedimentation velocity and sedimentation equilibrium experiments suggest coexistence of two types of micelles in nonyl phenol ethoxylated decyl ether solutions and its mixtures with n-dodecyl-beta-D-maltoside while only one micellar species is present in n-dodecyl-beta-D-maltoside solutions, in good agreement with those from small angle neutron scattering, cryo-TEM, light scattering and ultrafiltration. Type I micelles were primary micelles at cmc while type II micelles were elongated micelles. On the other hand, the nanostructures of mixed surface aggregates have been quantitatively predicted for the first time using a modified packing index. As a continuation of the Somasundaran-Fuersteneau adsorption model, a

  18. Preparation and Photocatalytic Properties of Ti1-xZrxO2 Solid Solution

    Institute of Scientific and Technical Information of China (English)

    GAO,Bi-Fen; MA,Ying; CAO,Ya-An; GU,Zhan-Jun; ZHANG,Guang-Jin; YAO,Jian-Nian

    2007-01-01

    A series of Ti1-xZrxO2 materials were synthesized through a multistep sol-gel process.The structural characteristics were investigated using X-ray diffraction(XRD),X-ray photoelectron spectroscopy(XPS)and Raman measurements.The experimental results showed that a solid solution could be obtained at low Zr/(Ti+Zr)molar ratios(x≤0.319).Raman measurements exhibited that the presence of zirconium in the solid solutions greatly retarded the amoorphous-anatase and anatase-rutile transitions.The diffuse reflectance UV-Vis spectra revealed that the bandgap of the solid solution was enlarged gradually with the increment of incorporated zirconium content.The Til-xZrxO2solid solutions exhibited higher photocatalytic activity than pure TiO2 for the degradation of 4-chlorophenol aqueous solution.

  19. 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.

  20. Investigation of compositional segregation during unidirectional solidification of solid solution semiconducting alloys

    Science.gov (United States)

    Wang, J. C.

    1982-01-01

    Compositional segregation of solid solution semiconducting alloys in the radial direction during unidirectional solidification was investigated by calculating the effect of a curved solid liquid interface on solute concentration at the interface on the solid. The formulation is similar to that given by Coriell, Boisvert, Rehm, and Sekerka except that a more realistic cylindrical coordinate system which is moving with the interface is used. Analytical results were obtained for very small and very large values of beta with beta = VR/D, where V is the velocity of solidification, R the radius of the specimen, and D the diffusivity of solute in the liquid. For both very small and very large beta, the solute concentration at the interface in the solid C(si) approaches C(o) (original solute concentration) i.e., the deviation is minimal. The maximum deviation of C(si) from C(o) occurs for some intermediate value of beta.

  1. 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.

  2. 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.

  3. Characterization of powellite-based solid solutions by site-selective time resolved laser fluorescence spectroscopy

    OpenAIRE

    Schmidt, Moritz; Heck, Stephanie; Bosbach, Dirk; Ganschow, Steffen; Walther, Clemens; Stumpf, Thorsten

    2013-01-01

    We present a comprehensive study of the solid solution system Ca-2(MoO4)(2)-NaGd(MoO4)(2) on the molecular scale, by means of site-selective time resolved laser fluorescence spectroscopy (TRLFS). Eu3+ is used as a trace fluorescent probe, homogeneously substituting for Gd3+ in the solid solution crystal structure. Site-selective TRLFS of a series of polycrystalline samples covering the whole composition range of the solid solution series from 10% substitution of Ca2+ to the NaGd end-member re...

  4. Iron salts in solid state and in frozen solutions as dosimeters for low irradiation temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Martinez, T. [Facultad de Quimica UNAM, Ciudad Universitaria, D.F. Mexico (Mexico); Lartigue, J. [Facultad de Quimica UNAM, Ciudad Universitaria, D.F. Mexico (Mexico); Ramos-Bernal, S. [Instituto de Ciencias Nucleares, UNAM, A.P. 70-543 C.P.4510, Ciudad Universitaria, D.F. Mexico (Mexico); Ramos, A. [Instituto de Ciencias Nucleares, UNAM, A.P. 70-543 C.P.4510, Ciudad Universitaria, D.F. Mexico (Mexico); Mosqueira, G.F. [Direccion General de Divulgacion de la Ciencia de la UNAM, A.P. 70-487, C:P, D.F. Mexico 04510 (Mexico); Negron-Mendoza, A. [Instituto de Ciencias Nucleares, UNAM, A.P. 70-543 C.P.4510, Ciudad Universitaria, D.F. Mexico (Mexico)]. E-mail: negron@nuclecu.unam.mx

    2005-12-01

    The aim of this work is to study the irradiation of iron salts in solid state (heptahydrated ferrous sulfate) and in frozen acid solutions. The study is focused on finding their possible use as dosimeters for low temperature irradiations and high doses. The analysis of the samples was made by UV-visible and Moessbauer spectroscopies. The output signal was linear from 0 to 10 MGy for the solid samples, and 0-600 Gy for the frozen solutions. The obtained data is reproducible and easy to handle. For these reasons, heptahydrate iron sulfate is a suitable dosimeter for low temperature and high irradiation doses, in solid state, and in frozen solution.

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

    DEFF Research Database (Denmark)

    Teteruk, Jaroslav L.; Glinnemann, Juergen; Heyse, Winfried;

    2016-01-01

    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....... 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...

  6. 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.

  7. The Effect of Hydrogen on the Solid Solution Strengthening and Softening of Nickel.

    Science.gov (United States)

    1981-11-01

    Afl-A108 654e ILLINOIS UNIV AT URBANA DEPT OF METALLURGY AND MININS--ETC F/6 11/6 THE EFFECT OF HYDROGEN ON THE SOLID SOLUTION STRFNSTNFNING ANfl...RESOLUTION TEST CHART NATIONAL HUR[AU OF STANDARDS 1963 A, " , ..... . .... .. i ....... .. .. . t , LEVEL THE EFFECT OF HYDROGEN ON THE SOLID SOLUTION STRENGTHENING...Availability Codes IIAvail and/or Dist Special THE EFFECT OF HYDROGEN ON THE SOLID SOLUTION STRENGTHENING AND SOFTENING OF NICKEL J. Eastman, F. Heuhaum, T

  8. First principles studies on the impact of point defects on the phase stability of (AlxCr1−x2O3 solid solutions

    Directory of Open Access Journals (Sweden)

    C. M. Koller

    2016-02-01

    Full Text Available Density Functional Theory applying the generalised gradient approximation is used to study the phase stability of (AlxCr1−x2O3 solid solutions in the context of physical vapour deposition (PVD. Our results show that the energy of formation for the hexagonal α phase is lower than for the metastable cubic γ and B1-like phases–independent of the Al content x. Even though this suggests higher stability of the α phase, its synthesis by physical vapour deposition is difficult for temperatures below 800 °C. Aluminium oxide and Al-rich oxides typically exhibit a multi-phased, cubic-dominated structure. Using a model system of (Al0.69Cr0.312O3 which experimentally yields larger fractions of the desired hexagonal α phase, we show that point defects strongly influence the energetic relationships. Since defects and in particular point defects, are unavoidably present in PVD coatings, they are important factors and can strongly influence the stability regions. We explicitly show that defects with low formation energies (e.g. metal Frenkel pairs are strongly preferred in the cubic phases, hence a reasonable factor contributing to the observed thermodynamically anomalous phase composition.

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

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Jiaqi, E-mail: jiaqw10@uci.edu [Department of Electrical Engineering and Computer Science, University of California, Irvine, CA 92697-2660 (United States); Materials and Manufacturing Technology, University of California, Irvine, CA 92697-2660 (United States); Lee, Chin C. [Department of Electrical Engineering and Computer Science, University of California, Irvine, CA 92697-2660 (United States); Materials and Manufacturing Technology, University of California, Irvine, CA 92697-2660 (United States)

    2016-06-21

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

  10. Local Structure and Short-Range Order in a NiCoCr Solid Solution Alloy

    Science.gov (United States)

    Zhang, F. X.; Zhao, Shijun; Jin, Ke; Xue, H.; Velisa, G.; Bei, H.; Huang, R.; Ko, J. Y. P.; Pagan, D. C.; Neuefeind, J. C.; Weber, W. J.; Zhang, Yanwen

    2017-05-01

    Multielement solid solution alloys are intrinsically disordered on the atomic scale, and many of their advanced properties originate from the local structural characteristics. The local structure of a NiCoCr solid solution alloy is measured with x-ray or neutron total scattering and extended x-ray absorption fine structure (EXAFS) techniques. The atomic pair distribution function analysis does not exhibit an observable structural distortion. However, an EXAFS analysis suggests that the Cr atoms are favorably bonded with Ni and Co in the solid solution alloys. This short-range order (SRO) may make an important contribution to the low values of the electrical and thermal conductivities of the Cr-alloyed solid solutions. In addition, an EXAFS analysis of Ni ion irradiated samples reveals that the degree of SRO in NiCoCr alloys is enhanced after irradiation.

  11. THE ROLE OF ELECTRON CONFIGURATION ON PROPERTIES IN DILUTE SOLID SOLUTION ALLOYS

    Science.gov (United States)

    THE ROLE OF ELECTRON CONFIGURATION ON THE PROPERTIES OF DILUTE SOLID SOLUTION ALLOYS IS DISCUSSED IN TERMS OF THE EFFECT OF DILUTE IMPURITIES ON THE RECRYSTALLIZATION CHARACTERISTICS OF PURE METALLIC ELEMENTS.

  12. Infrared Spectra of Simple Inorganic Ion Pairs in Solid Solution: A Physical Inorganic Chemistry Experiment.

    Science.gov (United States)

    Miller, Philip J.; Tong, William G.

    1980-01-01

    Presents a physical inorganic experiment in which large single crystals of the alkali halides doped with divalent ion impurities are prepared easily. Demonstrates the ion pairing of inorganic ions in solid solution. (CS)

  13. 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.

  14. 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.

  15. Preparation of cubic Li{sub 7}La{sub 3}Zr{sub 2}O{sub 12} solid electrolyte using a nano-sized core–shell structured precursor

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yanhua; Cai, Jin [State Key Lab of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070 (China); Chen, Fei, E-mail: chenfei027@gmail.com [State Key Lab of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070 (China); Massachusetts Institute of Technology, 77 Massachusetts Avenue, W20-021 Cambridge, MA 02139-4307 (United States); Tu, Rong; Shen, Qiang; Zhang, Xulong [State Key Lab of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070 (China); Zhang, Lianmeng [State Key Lab of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070 (China); Massachusetts Institute of Technology, 77 Massachusetts Avenue, W20-021 Cambridge, MA 02139-4307 (United States)

    2015-09-25

    Highlights: • A core–shell nano-sized precursor was synthesized by a two-step precipitation. • Cubic LLZO dense body was obtained at low temperatures by the novel precursor. • The cubic LLZO sintered body showed an extremely high Li ionic conductivity. - Abstract: Nano-sized Al-doped Li{sub 7}La{sub 3}Zr{sub 2}O{sub 12} (LLZO) precursor is successfully synthesized by a novel two-step precipitation method. Microstructure and thermal behavior of the prepared LLZO precursor powders and properties of the sintered LLZO pellets are comprehensively investigated. Results show that the obtained precursor powders have a special core–shell structure that a coating of Li{sub 2}C{sub 2}O{sub 4} covers on the surface of the lanthanum and zirconium co-precipitate products. Pure cubic LLZO powders can be obtained at a low calcination temperature of 900 °C. Sample sintered by field assisted sintering technology at 1000 °C has a high relative density of 96.5% with a total ionic conductivity of as high as 3.32 × 10{sup −4} S cm{sup −1} (corresponding to the activation energy of 0.32 eV) at room temperature. The reported method provides a simple and low-temperature synthesis of high quality LLZO solid electrolytes.

  16. 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.

  17. Solid-solution precursor to melting in onion-ring Pd-Pt nanoclusters: a case of second-order-like phase change?

    Science.gov (United States)

    Calvo, Florent

    2008-01-01

    The thermodynamical behaviour of icosahedral, multilayer Pd-Pt clusters is addressed using a combination of simulation tools, mainly parallel tempering Monte Carlo. A preferential swapping trial move is introduced to increase the chance of successfully exchanging Pd and Pt atoms in the cluster. The 2-, 3- and 4-shell, Pd-rich clusters have been studied. We generally find that the clusters melt at a temperature significantly below the bulk melting point at the same corresponding composition. More interestingly, for the smaller clusters melting is initiated by a solid-solution intermediate phase in which the overall icosahedral frame remains, but the Pd and Pt atoms can swap sites. The transition to this solid-solution phase is seen to have a continuous, second-order like character, which is interpreted from the similarity between the present system with the ferromagnetic Ising model on the 3D cubic lattice. As the cluster grows, the onion-ring structure becomes thermodynamically unstable. The 4-layer cluster already exhibits a solid-solution in its core at temperatures as low as 100 K. The bulk behaviour is thus recovered at very small scales.

  18. 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.

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

    Directory of Open Access Journals (Sweden)

    Torben R. Jensen

    2012-03-01

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

  20. 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.

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

    KAUST Repository

    Yuan, Mingjian

    2016-02-29

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

  2. 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.

  3. Structure induced Yb valence changes in the solid solution Yb(x)Ca(1-x)C2.

    Science.gov (United States)

    Link, Pascal; Glatzel, Pieter; Kvashnina, Kristina; Trots, Dmytro M; Smith, Ronald I; Ruschewitz, Uwe

    2013-06-17

    The solid solution Yb(x)Ca(1-x)C2 (0 ≤ x ≤ 1) was synthesized by reaction of the elements at 1323 K. The crystal structures within this solid solution, as elucidated from synchrotron powder diffraction data, depend on x and exhibit some interesting features that point to a structure dependent valence state of Yb. Compounds with x ≥ 0.75 crystallize in the tetragonal CaC2 type structure (I4/mmm, Z = 2) and obey Vegard's law; for x ≤ 0.75 the monoclinic ThC2 type structure (C2/c, Z = 4) is found, which coexists with the monoclinic CaC2-III type structure (C2/m, Z = 4) for x ≤ 0.25. The monoclinic modifications show a strong deviation from Vegard's law. Their unit cell volumes are remarkably larger than expected for a typical Vegard system. HERFD-XANES spectroscopic investigations reveal that different Yb valence states are responsible for the observed volume anomalies. While all tetragonal compounds contain mixed-valent Yb with ∼75% Yb(3+) (similar to pure YbC2), all monoclinic modifications contain exclusively Yb(2+). Therefore, Yb(x)Ca(1-x)C2 is a very rare example of a Yb containing compound showing a strong structure dependence of the Yb valence state. Moreover, temperature dependent synchrotron powder diffraction, neutron TOF powder diffraction, and HERFD-XANES spectroscopy experiments reveal significant Yb valence changes in some compounds of the Yb(x)Ca(1-x)C2 series that are induced by temperature dependent phase transitions. Transitions from the tetragonal CaC2 type structure to the monoclinic ThC2 or the cubic CaC2-IV type structure (Fm3m, Z = 4) are accompanied by drastic changes of the mean Yb valence from ∼2.70 to 2.0 in compounds with x = 0.75 and x = 0.91. Finally, the determination of lattice strain arising inside the modifications with ordered dumbbells (ThC2 and CaC2 type structures) by DSC measurements corroborated our results concerning the close relationship between crystal structure and Yb valence in the solid solution Yb(x)Ca(1-x

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

    KAUST Repository

    Xia, Chuan

    2017-01-06

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

  5. Surface Defects Enhanced Visible Light Photocatalytic H2 Production for Zn-Cd-S Solid Solution.

    Science.gov (United States)

    Zhang, Xiaoyan; Zhao, Zhao; Zhang, Wanwan; Zhang, Guoqiang; Qu, Dan; Miao, Xiang; Sun, Shaorui; Sun, Zaicheng

    2016-02-10

    In order to investigate the defect effect on photocatalytic performance of the visible light photocatalyst, Zn-Cd-S solid solution with surface defects is prepared in the hydrazine hydrate. X-ray photoelectron spectra and photoluminescence results confirm the existence of defects, such as sulfur vacancies, interstitial metal, and Zn and Cd in the low valence state on the top surface of solid solutions. The surface defects can be effectively removed by treating with sulfur vapor. The solid solution with surface defect exhibits a narrower band gap, wider light absorption range, and better photocatalytic perfomance. The optimized solid solution with defects exhibits 571 μmol h(-1) for 50 mg photocatalyst without loading Pt as cocatalyst under visible light irradiation, which is fourfold better than that of sulfur vapor treated samples. The wavelength dependence of photocatalytic activity discloses that the enhancement happens at each wavelength within the whole absorption range. The theoretical calculation shows that the surface defects induce the conduction band minimum and valence band maximum shift downward and upward, respectively. This constructs a type I junction between bulk and surface of solid solution, which promotes the migration of photogenerated charges toward the surface of nanostructure and leads to enhanced photocatalytic activity. Thus a new method to construct highly efficient visible light photocatalysts is opened.

  6. Organic solid solution composed of two structurally similar porphyrins for organic solar cells.

    Science.gov (United States)

    Zhen, Yonggang; Tanaka, Hideyuki; Harano, Koji; Okada, Satoshi; Matsuo, Yutaka; Nakamura, Eiichi

    2015-02-18

    A solid solution of a 75:25 mixture of tetrabenzoporphyrin (BP) and dichloroacenaphtho[q]tribenzo[b,g,l]porphyrin (CABP) forms when they are generated in a matrix of (dimethyl(o-anisyl)silylmethyl)(dimethylphenylsilylmethyl)[60]fullerene. This solid solution provides structural and optoelectronic properties entirely different from those of either pristine compounds or a mixture at other blending ratios. The use of this BP:CABP solid solution for organic solar cell (OSC) devices resulted in a power conversion efficiency (PCE) value higher by 16 and 300% than the PCE values obtained for the devices using the single donor BP and CABP, respectively, in a planar heterojunction architecture. This increase originates largely from the increase in short circuit current density, and hence by enhanced charge carrier separation at the donor/acceptor interface, which was probably caused by suitable energy level for the solid solution state, where electronic coupling between the two porphyrins occurred. The results suggest that physical and chemical modulation in solid solution is beneficial as an operationally simple method to enhance OSC performance.

  7. 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

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

    Directory of Open Access Journals (Sweden)

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

    2013-01-01

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

  9. 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.

  10. 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.

  11. Solid solution and amorphous phase in Ti–Nb–Ta–Mn systems synthesized 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); Guzman, P. [Departamento de Ingeniería Metalúrgica y Materiales, Universidad Técnica Federico Santa María, Av. España 1680, Valparaíso (Chile); Lascano, S. [Departamento de Ingeniería Mecánica, Universidad Técnica Federico Santa María, Av. España 1680, Valparaíso (Chile); Parra, C. [Departamento de Física, Universidad Técnica Federico Santa María, Av. España 1680, Valparaíso (Chile); Bejar, L. [Instituto de Investigaciones Metalúrgicas, Universidad Michoacana de San Nicolás de Hidalgo, Ciudad Universitaria, Morelia C.P. 58000, Michoacán (Mexico); Medina, A. [Facultad de Ingeniería Mecánica, Universidad Michoacana de San Nicolás de Hidalgo, Ciudad Universitaria, C.P. 58000, Michoacán (Mexico); Guzman, D. [Departamento de Metalurgia, Universidad de Atacama, Av. España 485, Copiapó (Chile)

    2016-06-15

    This work discusses the formation of Ti–30Nb–13Ta–xMn (x: 2, 4 and 6 wt%) solid solution by mechanical alloying using a shaker mill. A solid solution was formed after 15 h of milling and an amorphous phase was formed after 30 h of milling, according to X-ray diffraction results. Disappearance of strongest X-ray diffraction peaks of Nb, Ta and Mn indicated the formation of solid solution, while, X-ray diffraction patterns of powders milled for 30 h showed an amorphous hump with crystalline peaks in the angular range of 35–45° in 2θ. TEM image analysis showed the presence of nanocrystalline intermetallic compounds embedded in an amorphous matrix. Mn{sub 2}Ti, MnTi and NbTi{sub 4} intermetallic compounds were detected and revealed crystallites with size ranging from 3 to 20 nm. The Gibbs free energy for the formation of solid solution and amorphous phase of three ternary systems (Ti–Nb–Ta, Ti–Nb–Mn and Ti–Ta–Mn) was calculated using extended Miedema's model. Experimental and thermodynamic data confirmed that solid solution was first formed in the alloy with 6wt% Mn followed by the formation of an amorphous phase as milling time increases. The presence of Mn promoted the formation of amorphous phase because the atomic radius difference between Mn with Ti, Nb and Ta. - Highlights: • Thermodynamics analysis of extension of solid solution of the Ti–Nb–Ta–Mn system. • Formation of amorphous phase and intermetallic compounds were observed. • Nanocrystalline intermetallic compounds were formed with the sizes between 3 and 20 nm.

  12. 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.

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

    Directory of Open Access Journals (Sweden)

    Xiaoyan Lu

    2016-10-01

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

  14. 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.

  15. Simple multipurpose apparatus for solubility measurement of solid solutes in liquids

    DEFF Research Database (Denmark)

    Malwade, Chandrakant Ramkrishna; Christensen, Lars Porskjær

    2016-01-01

    , solubility measurement of solid solutes in different solvents or solvent mixtures as a function of temperature can be of great significance to the university students and researchers. In this article, comparatively inexpensive apparatus for solubility measurement of solid solutes in pure or mixture......-hexane-ethyl acetate mixtures of varying composition at different temperatures to demonstrate the suitability and reliability of the proposed solubility measurement apparatus. The proposed apparatus has been used to conduct laboratory exercises in the course “Industrial Separation Technology” offered to undergraduate...

  16. 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.

  17. Structure and Charge Density Properties of (1 - x)(Na1-y K y NbO3)-xBaTiO3 Lead-Free Ceramic Solid Solution

    Science.gov (United States)

    Sasikumar, S.; Saravanan, R.

    2017-02-01

    (1 - x)(Na1-y K y )NbO3-xBaTiO3 (abbreviated as NKN-BT, x = 0.1, 0.2; y = 0.01, 0.05) ceramics were synthesized by the solid-state reaction method. Powder x-ray diffraction analysis in combination with the profile refinement method was employed for quantitative phase analysis and structural refinement. The x-ray diffraction study shows that phase transition occurs from tetragonal to distorted cubic with the compositions between x = 0.1 and x = 0.2. The spatial arrangements of the electron distribution and bonding nature of the samples have been analyzed through the maximum entropy method. The optical band gap energy of the prepared solid solutions has been determined using UV-visible spectrophotometry. The optical band gap energy of the solid solutions decreases with the increase in BaTiO3 content. The elemental composition of these ceramics has been studied using energy dispersive x-ray analysis and the microstructure has been examined by scanning electron microscopy. The piezoelectric coefficient (d 33 ) measurement of the ceramics shows the enhancement of piezoelectric properties in the tetragonal phase. The maximum value of the piezoelectric coefficient (d 33 ) obtained for the solid solution is 120 pC/N. With increasing BaTiO3 content in the solid solutions, the ferroelectric behavior weakens.

  18. Elliptic function and solitary wave solutions of the higher-order nonlinear Schrödinger dynamical equation with fourth-order dispersion and cubic-quintic nonlinearity and its stability

    Science.gov (United States)

    Arshad, M.; Seadawy, Aly R.; Lu, Dianchen

    2017-08-01

    The higher-order nonlinear Schrödinger equation (NLSE) with fourth-order dispersion, cubic-quintic terms, self-steepening and nonlinear dispersive terms describes the propagation of extremely short pulses in optical fibers. In this paper, the elliptic function, bright and dark solitons and solitary wave solutions of higher-order NLSE are constructed by employing a modified extended direct algebraic method, which has important applications in applied mathematics and physics. Furthermore, we also present the formation conditions of the bright and dark solitons for this equation. The modulation instability is utilized to discuss the stability of these solutions, which shows that all solutions are exact and stable. Many other higher-order nonlinear evolution equations arising in applied sciences can also be solved by this powerful, effective and reliable method.

  19. Hollow nanoshell formation and collapse in binary solid solutions with large range of solubility

    Energy Technology Data Exchange (ETDEWEB)

    Gusak, A M; Zaporozhets, T V, E-mail: gusak@cdu.edu.u, E-mail: tvz@phys.cdu.edu.u [Cherkasy National University, 81, Boulevard Shevchenko, Cherkasy, 18031 (Ukraine)

    2009-10-14

    The formation of a solid solution hollow nanoshell from core-shell structure and collapse of this nanoshell into a compact particle is modelled by a phenomenological scheme and by Monte Carlo simulation. The cross-over between formation and collapse, and the criteria of nanoshell formation are analysed.

  20. Bridging phases at the morphotropic boundaries of lead oxide solid solutions

    NARCIS (Netherlands)

    Noheda, Beatriz; Cox, DE

    2006-01-01

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

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

    Institute of Scientific and Technical Information of China (English)

    龚文琪

    2001-01-01

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

  2. 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 paramete...

  3. 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…

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

    Institute of Scientific and Technical Information of China (English)

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

    2005-01-01

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

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

    Institute of Scientific and Technical Information of China (English)

    2005-01-01

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

  6. Experimental and theoretical investigation of Cr1-xScxN solid solutions for thermoelectrics

    DEFF Research Database (Denmark)

    Kerdsongpanya, Sit; Sun, Bo; Eriksson, Fredrik

    2016-01-01

    . Here, we demonstrate an approach to tailor their thermoelectric properties by solid solutions. The trends in mixing thermodynamics and densities-of-states (DOS) of rocksalt-Cr1-xScxN solid solutions (0 ≤ x ≤ 1) are investigated by first-principles calculations, and Cr1-xScxN thin films are synthesized...... by magnetron sputtering. Pure CrN exhibits a high power factor, 1.7 × 10−3 W m−1 K−2 at 720 K, enabled by a high electron concentration thermally activated from N vacancies. Disordered rocksalt-Cr1-xScxN solid solutions are thermodynamically stable, and calculated DOS suggest the possibility for power......-factor improvement by Sc3d orbital delocalization on Cr3d electrons giving decreasing electrical resistivity, while localized Cr3d orbitals with a large DOS slope may yield an improved Seebeck coefficient. Sc-rich solid solutions show a large improvement in power factor compared to pure ScN, and all films have power...

  7. Prediction of solid solution formation in a family of diastereomeric salts. A molecular modeling study

    NARCIS (Netherlands)

    Gervais, C.; Grimbergen, R.F.P.; Markovits, I.; Ariaans, G.J.A.; Kaptein, B.; Bruggink, A.; Broxterman, Q.B.

    2004-01-01

    The possibility of solid solution behavior of diastereomeric salts, containing multiple resolving agents of the same family (Dutch Resolution), is predicted by molecular modeling. Super-cells containing different ratios of resolving agents in the diastereomeric salt are constructed and optimized, an

  8. 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.

  9. 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)

  10. Generalized Vaidya spacetime for cubic gravity

    CERN Document Server

    Ruan, Shan-Ming

    2015-01-01

    We present a kind of generalized Vaidya solutions of a new cubic gravity in five dimensions whose field equations in spherically spacetime are always second order like the Lovelock gravity. We also study the thermodynamics of its apparent horizon and get its entropy expression and generalized Misner-Sharp energy. Finally we present the first law and second law hold in this gravity. Although all the results are analogue to those in Lovelock gravity, we in fact introduce the contribution of new cubic term in five dimensions where cubic Lovelock term is just zero.

  11. On the reflection of solitons of the cubic nonlinear Schrödinger equation

    KAUST Repository

    Katsaounis, Theodoros

    2016-07-05

    In this paper, we perform a numerical study on the interesting phenomenon of soliton reflection of solid walls. We consider the 2D cubic nonlinear Schrödinger equation as the underlying mathematical model, and we use an implicit-explicit type Crank-Nicolson finite element scheme for its numerical solution. After verifying the perfect reflection of the solitons on a vertical wall, we present the imperfect reflection of a dark soliton on a diagonal wall.

  12. 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.

  13. Low temperature anomaly of heat capacity of CD4 rotors in solid CD4-Kr solution

    OpenAIRE

    Bagatskii, M.I.; Dudkin, V. V.; Manzhelii, V. G.; Mashchenko, D. A.; Feodosiev, S. B.

    2004-01-01

    The heat capacity of the solid Kr-CD4 (13% CD4) solution has been investigated. It is shown that the temperature dependence of the heat capacity Crot of the rotational subsystem in this solution is radically different from the corresponding dependences in the previously studied Kr-CD4 (1%, 5% CD4) and Kr-CH4 (5-60%) solutions. A model is proposed to explain the observed dependence Crot(T). The experimental results can be described taking into account the contribution to the heat capacity from...

  14. Different routes towards oscillatory zoning in the growth of solid solutions.

    Science.gov (United States)

    Lubashevsky, Ihor; Mues, Tanja; Heuer, Andreas

    2008-10-01

    Oscillatory zoning, i.e., self-formation of spatial quasiperiodic oscillations in the composition of solid growing from aqueous solution, is analyzed theoretically. Keeping in mind systems like (Ba,Sr)SO4 , we propose a one-dimensional model that takes into account the nonideality of the solid solution and the system asymmetry, in particular, reflecting itself in different solubilities for such systems. Based on a linear stability analysis, different parameter regions can be identified. Even an ideal solution with a sufficiently large asymmetry can display oscillatory zoning. Numerical simulations complement the linear stability analysis as well as the qualitative consideration of the instability development and reveal the nature of the limit cycles.

  15. Estimation of component activities in some oxide solid solutions by the molecular interaction vacancy model

    Institute of Scientific and Technical Information of China (English)

    Dongping TAO

    2011-01-01

    The molecular interaction vacancy model (MIVM) is used to estimate simultaneously activities of all components in a range of entire composition of six binary oxide solid solutions and the MnO-FeO-CaO ternary solid solution by their binary infinite dilute activity coefficients.The average errors are the 0.03%-5.0% for the binaries and the 4.11%-25.2% for the ternary which is less than that (4.84%-41.2%) of the sub-regular solution model (SRSM).This shows that MIVM is more effective and reliable than SRSM for the ternary and does not depend on a polynomial approximation with some ternary adjustable parameters.

  16. Cubic Subalgebras and Cubic Closed Ideals of B-algebras

    Directory of Open Access Journals (Sweden)

    Tapan Senapati

    2015-06-01

    Full Text Available In this paper, the concept of cubic set to subalgebras, ideals and closed ideals of B-algebras are introduced. Relations among cubic subalgebras with cubic ideals and cubic closed ideals of B-algebras investigated. The homomorphic image and inverse image of cubic subalgebras, ideals are studied and some related properties are investigated. Also, the product of cubic B-algebras are investigated.

  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. Superhard BC(3) in cubic diamond structure.

    Science.gov (United States)

    Zhang, Miao; Liu, Hanyu; Li, Quan; Gao, Bo; Wang, Yanchao; Li, Hongdong; Chen, Changfeng; Ma, Yanming

    2015-01-01

    We solve the crystal structure of recently synthesized cubic BC(3) using an unbiased swarm structure search, which identifies a highly symmetric BC(3) phase in the cubic diamond structure (d-BC(3)) that contains a distinct B-B bonding network along the body diagonals of a large 64-atom unit cell. Simulated x-ray diffraction and Raman peaks of d-BC(3) are in excellent agreement with experimental data. Calculated stress-strain relations of d-BC(3) demonstrate its intrinsic superhard nature and reveal intriguing sequential bond-breaking modes that produce superior ductility and extended elasticity, which are unique among superhard solids. The present results establish the first boron carbide in the cubic diamond structure with remarkable properties, and these new findings also provide insights for exploring other covalent solids with complex bonding configurations.

  19. Thermal Analysis of Tantalum Carbide-Hafnium Carbide Solid Solutions from Room Temperature to 1400 °C

    Directory of Open Access Journals (Sweden)

    Cheng Zhang

    2017-07-01

    Full Text Available The thermogravimetric analysis on TaC, HfC, and their solid solutions has been carried out in air up to 1400 °C. Three solid solution compositions have been chosen: 80TaC-20 vol % HfC (T80H20, 50TaC-50 vol % HfC (T50H50, and 20TaC-80 vol % HfC (T20H80, in addition to pure TaC and HfC. Solid solutions exhibit better oxidation resistance than the pure carbides. The onset of oxidation is delayed in solid solutions from 750 °C for pure TaC, to 940 °C for the T50H50 sample. Moreover, T50H50 samples display the highest resistance to oxidation with the retention of the initial carbides. The oxide scale formed on the T50H50 sample displays mechanical integrity to prevent the oxidation of the underlying carbide solid solution. The improved oxidation resistance of the solid solution is attributed to the reaction between Ta2O5 and HfC, which stabilizes the volume changes induced by the formation of Ta2O5 and diminishes the generation of gaseous products. Also, the formation of solid solutions disturbs the atomic arrangement inside the lattice, which delays the reaction between Ta and O. Both of these mechanisms lead to the improved oxidation resistances of TaC-HfC solid solutions.

  20. Study of Decomposition of a Highly Supersaturated Solid Solution of a Granulated Alloy, Al-1, 5Cr-1, 5Zr,

    Science.gov (United States)

    The mechanism and kinetics of decomposition of a highly supersaturated solid solution in an alloy is of importance in stating the proper technology...that during annealing up to 250 C, there is a great density of dislocations. A hypothesis is presented concerning the structural changes occurring at heating the highly supersaturated solid solution of this alloy.

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

    Energy Technology Data Exchange (ETDEWEB)

    Rehman, Hamad ur

    2016-07-01

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

  2. Structural, vibrational, and thermochemical properties of the monazite-type solid solution La1-xPrxPO4

    Science.gov (United States)

    Hirsch, A.; Kegler, P.; Alencar, I.; Ruiz-Fuertes, J.; Shelyug, A.; Peters, L.; Schreinemachers, C.; Neumann, A.; Neumeier, S.; Liermann, H.-P.; Navrotsky, A.; Roth, G.

    2017-01-01

    The monazite-type solid solution La1-xPrxPO4 was synthesized by solid-state reaction and extensively investigated using electron microprobe and thermogravimetric analyses, differential scanning and high-temperature oxide melt solution calorimetry, powder X-ray diffraction, infrared and Raman spectroscopy. Lattice parameters and Ln-O bond lengths show a decrease with increasing Pr content. A small excess volume is observed for the solid solution. IR spectra of the solid solution members present no detectable differences, while a blue shift of the PO4-related modes is seen in the Raman data. This shift can be attributed to the lanthanide contraction. Within errors, calorimetry data show no systematic deviation from an ideal behavior, though one might interpret the data as an indication of a slightly asymmetric mixture. All data indicate that deviations from ideality of the solid solution - if present - are very small.

  3. Cubic Polynomials with Real or Complex Coefficients: The Full Picture

    Science.gov (United States)

    Bardell, Nicholas S.

    2016-01-01

    The cubic polynomial with real coefficients has a rich and interesting history primarily associated with the endeavours of great mathematicians like del Ferro, Tartaglia, Cardano or Vieta who sought a solution for the roots (Katz, 1998; see Chapter 12.3: The Solution of the Cubic Equation). Suffice it to say that since the times of renaissance…

  4. Synthesis and ionic conductivity of Li6La3BiSnO12 with cubic garnet-type structure via solid-state reaction

    Institute of Scientific and Technical Information of China (English)

    彭红建; 肖理红; 曹远尼; 栾向峰

    2015-01-01

    The synthesis and transport properties of the Li6La3BiSnO12 solid electrolyte by a solid-state reaction were reported. The condition to synthesize the Li6La3BiSnO12 is 785 °C for 36 h in air. The refinedlattice constant of Li6La3BiSnO12is 13.007 Å. Qualitative phase analysis by X-ray powder diffraction patterns combined with the Rietveld method reveals garnet type compounds as major phases. The Li-ion conductivity of the prepared Li6La3BiSnO12 is 0.85×10−4 S/cm at 22 °C, which is comparable with that of the Li5La3Bi2O12. The Li6La3BiSnO12compounds are chemically stable against LiCoO2 which is widely used as cathode material up to 700 °C but not against the LiMn2O4 if the temperature is higher than 550 °C. The Li6La3BiSnO12exhibitshigher chemical stability than Li5La3Bi2O12, which is due to Sn substitution for Bi.

  5. Co-existence of Distinct Supramolecular Assemblies in Solution and in the Solid State.

    Science.gov (United States)

    Reddy, G N Manjunatha; Huqi, Aida; Iuga, Dinu; Sakurai, Satoshi; Marsh, Andrew; Davis, Jeffery T; Masiero, Stefano; Brown, Steven P

    2017-02-16

    The formation of distinct supramolecular assemblies, including a metastable species, is revealed for a lipophilic guanosine (G) derivative in solution and in the solid state. Structurally different G-quartet-based assemblies are formed in chloroform depending on the nature of the cation, anion and the salt concentration, as characterized by circular dichroism and time course diffusion-ordered NMR spectroscopy data. Intriguingly, even the presence of potassium ions that stabilize G-quartets in chloroform was insufficient to exclusively retain such assemblies in the solid state, leading to the formation of mixed quartet and ribbon-like assemblies as revealed by fast magic-angle spinning (MAS) NMR spectroscopy. Distinct N-H⋅⋅⋅N and N-H⋅⋅⋅O intermolecular hydrogen bonding interactions drive quartet and ribbon-like self-assembly resulting in markedly different 2D (1) H solid-state NMR spectra, thus facilitating a direct identification of mixed assemblies. A dissolution NMR experiment confirmed that the quartet and ribbon interconversion is reversible-further demonstrating the changes that occur in the self-assembly process of a lipophilic nucleoside upon a solid-state to solution-state transition and vice versa. A systematic study for complexation with different cations (K(+) , Sr(2+) ) and anions (picrate, ethanoate and iodide) emphasizes that the existence of a stable solution or solid-state structure may not reflect the stability of the same supramolecular entity in another phase. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. In situ study of the solid-state formation of U(1-x)Am(x)O(2±δ) solid solution.

    Science.gov (United States)

    Lebreton, Florent; Belin, Renaud C; Prieur, Damien; Delahaye, Thibaud; Blanchart, Philippe

    2012-09-03

    In order to reduce the nuclear waste inventory and radiotoxicity, U(1-x)Am(x)O(2±δ) materials are promising fuels for heterogeneous transmutation. In this context, they are generally fabricated from UO(2+δ) and AmO(2-δ) dioxide powders. In the subsequent solid solution, americium is assumed to be trivalent whereas uranium exhibits a mixed-valence (+IV/+V) state. However, no formation mechanisms were ever evidenced and, more particularly, it was not possible to know whether the reduction of Am(IV) to Am(III) occurs before the solid-solution formation, or only once it is established. In this study, we used high-temperature X-ray diffraction on a UO(2±δ)/AmO(2-δ) (15 mol %) mixture to observe in situ the formation of the U(1-x)Am(x)O(2±δ) solid solution. We show that UO(2+δ) is, at relatively low temperature (solid solution starts forming at 1740 K. The UO(2) fluorite phase vanishes after 4 h at 1970 K, indicating that the formation of the solid solution is completed, which proves that this solid solution is formed after the complete reduction of Am(IV) to Am(III).

  7. 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

    2015-10-28

    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.

  8. Effect of shear stress in ferroelectric solid solutions with coexisting phases

    Science.gov (United States)

    Lu, Xiaoyan; Zhang, Hangbo; Zheng, Limei; Cao, Wenwu

    2017-08-01

    One common feature of ferroelectric solid solutions with large piezoelectricity is the coexistence of two or more phases. Due to the strain mismatch among coexisting phases, adaptive structures near the interfaces or domain walls develop to maintain the atomic coherency. Shear stresses commonly exist, especially when the domain size is small. The effect of shear stresses on phase morphology in Pb(Zr1-xTix)O3 solid solutions with compositions within the morphotropic phase boundary region was studied within the framework of Landau phenomenological theory. Our results show that the coexisting rhombohedral (R) and tetragonal (T) phases can be modified to form stable or metastable R-like and/or T-like monoclinic phases under shear stresses. Large stresses may also induce first order or second order phase transitions.

  9. Elastic and thermal properties of Zr z Nb1 - z C x N y solid solutions

    Science.gov (United States)

    Gusev, A. I.

    2013-07-01

    The temperature and concentration dependences of the elastic moduli and the thermal linear expansion coefficient of Zr z Nb1 - z C x N y solid solutions containing from 3 to 8 at % of structural vacancies in a nonmetallic sublattice have been found. The temperature dependences of the Debye temperature ΘD( T) have been calculated using the elastic data and the data on the heat capacity. It has been shown, using carbide NbC0.97 as an example, that the ΘD( T) dependences found from the elastic properties and the heat capacity coincide in the temperature range ˜220-300 K. By analogy with the niobium carbide, the heat capacity C p (300) of Zr z Nb1 - z C x N y solid solutions of various compositions is calculated based on the values of ΘD(300) determined from the elastic properties.

  10. Accelerated exploration of multi-principal element alloys with solid solution phases

    Science.gov (United States)

    Senkov, O. N.; Miller, J. D.; Miracle, D. B.; Woodward, C.

    2015-03-01

    Recent multi-principal element, high entropy alloy (HEA) development strategies vastly expand the number of candidate alloy systems, but also pose a new challenge—how to rapidly screen thousands of candidate alloy systems for targeted properties. Here we develop a new approach to rapidly assess structural metals by combining calculated phase diagrams with simple rules based on the phases present, their transformation temperatures and useful microstructures. We evaluate over 130,000 alloy systems, identifying promising compositions for more time-intensive experimental studies. We find the surprising result that solid solution alloys become less likely as the number of alloy elements increases. This contradicts the major premise of HEAs—that increased configurational entropy increases the stability of disordered solid solution phases. As the number of elements increases, the configurational entropy rises slowly while the probability of at least one pair of elements favouring formation of intermetallic compounds increases more rapidly, explaining this apparent contradiction.

  11. Modeling of Vapor-Liquid-Solid Equilibria in Acidic Aqueous Solutions

    DEFF Research Database (Denmark)

    Christensen, Søren Gregers; Thomsen, Kaj

    2003-01-01

    The phase behavior (vapor - liquid equilibria (VLE) and solid - liquid equilibria (SLE)) and thermal properties of aqueous solutions of ions like (K+, Na+, NH4+, Ca2+, Cl-) in the presence of phosphoric acid (H3PO4, H2PO4-, HPO42- ) and nitric acid (HNO3, NO3-) are described by means of the Exten......The phase behavior (vapor - liquid equilibria (VLE) and solid - liquid equilibria (SLE)) and thermal properties of aqueous solutions of ions like (K+, Na+, NH4+, Ca2+, Cl-) in the presence of phosphoric acid (H3PO4, H2PO4-, HPO42- ) and nitric acid (HNO3, NO3-) are described by means...

  12. Flexible, Luminescent Metal-Organic Frameworks Showing Synergistic Solid-Solution Effects on Porosity and Sensitivity.

    Science.gov (United States)

    Liu, Si-Yang; Zhou, Dong-Dong; He, Chun-Ting; Liao, Pei-Qin; Cheng, Xiao-Ning; Xu, Yan-Tong; Ye, Jia-Wen; Zhang, Jie-Peng; Chen, Xiao-Ming

    2016-12-23

    Mixing molecular building blocks in the solid solution manner is a valuable strategy to obtain structures and properties in between the isostructural parent metal-organic frameworks (MOFs). We report nonlinear/synergistic solid-solution effects using highly related yet non-isostructural, phosphorescent Cu(I) triazolate frameworks as parent phases. Near the phase boundaries associated with conformational diversity and ligand heterogeneity, the porosity (+150 %) and optical O2 sensitivity (410 times, limit of detection 0.07 ppm) can be drastically improved from the best-performing parent MOFs and even exceeds the records hold by precious-metal complexes (3 ppm) and C70 (0.2 ppm).

  13. Accelerated exploration of multi-principal element alloys with solid solution phases.

    Science.gov (United States)

    Senkov, O N; Miller, J D; Miracle, D B; Woodward, C

    2015-03-05

    Recent multi-principal element, high entropy alloy (HEA) development strategies vastly expand the number of candidate alloy systems, but also pose a new challenge--how to rapidly screen thousands of candidate alloy systems for targeted properties. Here we develop a new approach to rapidly assess structural metals by combining calculated phase diagrams with simple rules based on the phases present, their transformation temperatures and useful microstructures. We evaluate over 130,000 alloy systems, identifying promising compositions for more time-intensive experimental studies. We find the surprising result that solid solution alloys become less likely as the number of alloy elements increases. This contradicts the major premise of HEAs--that increased configurational entropy increases the stability of disordered solid solution phases. As the number of elements increases, the configurational entropy rises slowly while the probability of at least one pair of elements favouring formation of intermetallic compounds increases more rapidly, explaining this apparent contradiction.

  14. Tunable catalytic activity of solid solution metal-organic frameworks in one-pot multicomponent reactions.

    Science.gov (United States)

    Aguirre-Díaz, Lina María; Gándara, Felipe; Iglesias, Marta; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Monge, M Ángeles

    2015-05-20

    The aim of this research is to establish how metal-organic frameworks (MOFs) composed of more than one metal in equivalent crystallographic sites (solid solution MOFs) exhibit catalytic activity, which is tunable by virtue of the metal ions ratio. New MOFs with general formula [InxGa1-x(O2C2H4)0.5(hfipbb)] were prepared by the combination of Ga and In. They are isostructural with their monometal counterparts, synthesized with Al, Ga, and In. Differences in their behavior as heterogeneous catalysts in the three-component, one pot Strecker reaction illustrate the potential of solid solution MOFs to provide the ability to address the various stages involved in the reaction mechanism.

  15. Isomorphism and solid solution as shown by an accurate high-resolution diffraction experiment.

    Science.gov (United States)

    Poulain, Agnieszka; Kubicki, Maciej; Lecomte, Claude

    2014-12-01

    High-resolution crystal structure determination and spherical and multipolar refinement enabled an organic solid solution of 1-(4'-chlorophenyl)-2-methyl-4-nitro-1H-imidazole-5-carbonitrile and 5-bromo-1-(4'-chlorophenyl)-2-methyl-4-nitro-1H-imidazole to be found, which would not normally be revealed using only standard resolution data (ca 0.8 Å), as the disordered part is only visible at high resolution. Therefore, this new structure would have been reported as just another polymorphic form, even more reasonably as isostructural with other derivatives. To the best of our knowledge this is the first example of organic solid solution modelled via charge density Hansen-Coppens formalism and analysed by means of quantum theory of atoms in molecules (QTAIM) theory.

  16. General solution of cumulative second harmonic by Lamb wave propagation in a solid plate

    Institute of Scientific and Technical Information of China (English)

    Deng Mingxi

    2008-01-01

    A straightforward approach has been developed for the general solution of cumulative second harmonic by Lamb wave propagation in a solid plate. The present analyses of second-harmonic generation by Lamb waves focus on the cases where the phase velocity of the fundamental Lamb wave is exactly or approximately equal to that of the double frequency Lamb wave (DFLW). Based on the general solution obtained, the numerical analyses show that the cumulative second-harmonic fields are associated with the position of excitation source and the difference between the phase velocity of the fundamental Lamb wave and that of the dominant DFLW component.

  17. On the effect of concentrated solid solutions on properties of clusters in a model binary alloy

    Science.gov (United States)

    Lepinoux, J.; Sigli, C.

    2016-04-01

    In a series of papers aimed at better understanding precipitation in binary alloys, it was shown that Cluster Dynamics (CD) is a valuable tool to bridge the gap between microscopic and macroscopic scales, provided that cluster-free energies are carefully derived from Monte Carlo calculations. Indeed, in such conditions, CD predictions compare well with Atomistic Kinetic MC simulations. Nevertheless, in a recent work, the authors pointed out some limitations of this approach at high solute concentration. The present work aims at revisiting the notion of cluster-free energy in the context of concentrated solid solutions at thermal equilibrium.

  18. Solution-Processed Ambipolar Organic Thin-Film Transistors by Blending p- and n-Type Semiconductors: Solid Solution versus Microphase Separation.

    Science.gov (United States)

    Xu, Xiaomin; Xiao, Ting; Gu, Xiao; Yang, Xuejin; Kershaw, Stephen V; Zhao, Ni; Xu, Jianbin; Miao, Qian

    2015-12-30

    Here, we report solid solution of p- and n-type organic semiconductors as a new type of p-n blend for solution-processed ambipolar organic thin film transistors (OTFTs). This study compares the solid-solution films of silylethynylated tetraazapentacene 1 (acceptor) and silylethynylated pentacene 2 (donor) with the microphase-separated films of 1 and 3, a heptagon-embedded analogue of 2. It is found that the solid solutions of (1)x(2)1-x function as ambipolar semiconductors, whose hole and electron mobilities are tunable by varying the ratio of 1 and 2 in the solid solution. The OTFTs of (1)0.5(2)0.5 exhibit relatively balanced hole and electron mobilities comparable to the highest values as reported for ambipolar OTFTs of stoichiometric donor-acceptor cocrystals and microphase-separated p-n bulk heterojunctions. The solid solution of (1)0.5(2)0.5 and the microphase-separated blend of 1:3 (0.5:0.5) in OTFTs exhibit different responses to light in terms of absorption and photoeffect of OTFTs because the donor and acceptor are mixed at molecular level with π-π stacking in the solid solution.

  19. 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.

  20. GENERAL SOLUTION FOR THE COUPLED EQUATIONS OF TRANSVERSELY ISOTROPIC MAGNETOELECTROELASTIC SOLIDS

    Institute of Scientific and Technical Information of China (English)

    刘金喜; 王祥琴; 王彪

    2003-01-01

    The coupling feature of transversely isotropic magnetoelectroelastic solids aregoverned by a system of five partial differential equations with respect to the elasticdisplacerments, the electric potential and the magnetic potential. Based on the potentialtheory, the coupled equations are reduced to the five uncoupled generalized Laplaceequations with respect to five potential functions. Further, the elastic fields andelectromagnetic fields are expressed in terms of the potential functions. These expressionsconstruct the general solution of transversely isotropic magnetoelectroelastic media.

  1. Experimental and theoretical investigation of Cr1-xScxN solid solutions for thermoelectrics

    Science.gov (United States)

    Kerdsongpanya, Sit; Sun, Bo; Eriksson, Fredrik; Jensen, Jens; Lu, Jun; Koh, Yee Kan; Nong, Ngo Van; Balke, Benjamin; Alling, Björn; Eklund, Per

    2016-12-01

    The ScN- and CrN-based transition-metal nitrides have recently emerged as a novel and unexpected class of materials for thermoelectrics. These materials constitute well-defined model systems for investigating mixing thermodynamics, phase stability, and band structure aiming for property tailoring. Here, we demonstrate an approach to tailor their thermoelectric properties by solid solutions. The trends in mixing thermodynamics and densities-of-states (DOS) of rocksalt-Cr1-xScxN solid solutions (0 ≤ x ≤ 1) are investigated by first-principles calculations, and Cr1-xScxN thin films are synthesized by magnetron sputtering. Pure CrN exhibits a high power factor, 1.7 × 10-3 W m-1 K-2 at 720 K, enabled by a high electron concentration thermally activated from N vacancies. Disordered rocksalt-Cr1-xScxN solid solutions are thermodynamically stable, and calculated DOS suggest the possibility for power-factor improvement by Sc3d orbital delocalization on Cr3d electrons giving decreasing electrical resistivity, while localized Cr3d orbitals with a large DOS slope may yield an improved Seebeck coefficient. Sc-rich solid solutions show a large improvement in power factor compared to pure ScN, and all films have power factors above that expected from the rule-of-mixture. These results corroborate the theoretical predictions and enable tailoring and understanding of structure-transport-property correlations of Cr1-xScxN.

  2. Local atomic structure of solid solutions with overlapping shells by EXAFS: The regularization method

    Energy Technology Data Exchange (ETDEWEB)

    Babanov, Yu.A., E-mail: babanov@imp.uran.ru [M.N. Miheev Institute of Metal Physics, Ural Branch, Russian Academy of Sciences, Ekaterinburg 620990 (Russian Federation); Ponomarev, D.A.; Ustinov, V.V. [M.N. Miheev Institute of Metal Physics, Ural Branch, Russian Academy of Sciences, Ekaterinburg 620990 (Russian Federation); Baranov, A.N. [M.V. Lomonosov Moscow State University, Moscow 119991 (Russian Federation); Zubavichus, Ya.V. [Russian Research Centre “Kurchatov Institute”, 123182 Moscow (Russian Federation)

    2016-08-15

    Highlights: • A method for determining bond lengths from combined EXAFS spectra for solid oxide solutions is proposed. • We have demonstrated a high resolution in r-space of close spacing atoms in the Periodical Table. • These results were obtained without any assumptions concerning interatomic distances for multi-component systems. • Coordinates ions for the solid solution with rock salt structure are determined. - Abstract: The regularization method of solving ill-posed problem is used to determine five partial interatomic distances on the basis of combined two EXAFS spectra. Mathematical algorithm and experimental results of the EXAFS analysis for Ni{sub c}Zn{sub 1−c}O (c = 0.0, 0.3, 0.5, 0.7, 1.0) solid solutions with the rock salt (rs) crystal structure are discussed. Samples were synthesized from the binary oxide powders at pressure of 7.7 GPa and temperatures 1450–1650 K. The measurements were performed using synchrotron facilities (Russian Research Centre “Kurchatov Institute”, Moscow). The Ni and Zn K absorption spectra were recorded in transmission mode under room temperature. It is shown, the ideal rock salt lattice is distorted and long-range order exists only in the average (Vegard law). In order to determine coordinates ions for the solid solution with rock salt structure, we used the Pauling model. The simulation is performed for 343,000 cluster of oxide ions. The distribution functions for ions (Ni−O, Ni−Ni, Ni−Zn, Zn−Zn, Zn−O, O−O) depending on the distance are obtained. The width of the Gaussian distribution function is determined by the difference of the radii of the metal ions. The results are consistent with the data both X-ray diffraction and the EXAFS spectroscopy.

  3. High-Performance Hydrogen Evolution from MoS2(1-x) P(x) Solid Solution.

    Science.gov (United States)

    Ye, Ruquan; del Angel-Vicente, Paz; Liu, Yuanyue; Arellano-Jimenez, M Josefina; Peng, Zhiwei; Wang, Tuo; Li, Yilun; Yakobson, Boris I; Wei, Su-Huai; Yacaman, Miguel Jose; Tour, James M

    2016-02-17

    A MoS2(1-x) P(x) solid solution (x = 0 to 1) is formed by thermally annealing mixtures of MoS2 and red phosphorus. The effective and stable electrocatalyst for hydrogen evolution in acidic solution holds promise for replacing scarce and expensive platinum that is used in present catalyst systems. The high performance originates from the increased surface area and roughness of the solid solution.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

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

    Science.gov (United States)

    Shave, Steven; Auer, Manfred

    2013-12-23

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

  9. Solid Solution Photocatalyst with Spontaneous Polarization Exhibiting Low Recombination Toward Efficient CO2 Photoreduction.

    Science.gov (United States)

    Zhou, Peng; Wang, Xin; Yan, Shicheng; Zou, Zhigang

    2016-08-23

    Decreasing the recombination of photogenerated carriers is a major challenge for efficiently converting solar energy into chemical energy by photocatalysis. Here, we have demonstrated that growth of a polar GaN:ZnO solid solution single crystal along its polarization axis is beneficial to efficient separation of photogenerated carriers, owing to the periodic potential barriers and wells generated from the periodically positive and negative atom arrangements in crystal structure. Local charge imbalance caused by replacing Ga(3+) with Zn(2+) leads to a polarization vector in the {0 0 0 1} planes of GaN:ZnO solid solution, thus forming a 1 D electron transport path along [2 1‾  1‾  0] in the {0 0 0 1} planes of GaN:ZnO solid solution to decrease recombination. Shorting the hole-transport distance by synthesizing porous nanoplates can further decrease recombination under the polarization field and improve the performance of polar photocatalyst in photoreduction of CO2 into CH4 .

  10. 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.

  11. Characterization, Microstructure, and Dielectric properties of cubic pyrochlore structural ceramics

    KAUST Repository

    Li, Yangyang

    2013-05-01

    The (BMN) bulk materials were sintered at 1050°C, 1100°C, 1150°C, 1200°C by the conventional ceramic process, and their microstructure and dielectric properties were investigated by Scanning electron microscopy (SEM), X-ray diffraction (XRD), Raman spectroscopy, Transmission electron microscopy (TEM) (including the X-ray energy dispersive spectrometry EDS and high resolution transmission electron microscopy HRTEM) and dielectric impedance analyzer. We systematically investigated the structure, dielectric properties and voltage tunable property of the ceramics prepared at different sintering temperatures. The XRD patterns demonstrated that the synthesized BMN solid solutions had cubic phase pyrochlore-type structure when sintered at 1050°C or higher, and the lattice parameter (a) of the unit cell in BMN solid solution was calculated to be about 10.56Å. The vibrational peaks observed in the Raman spectra of BMN solid solutions also confirmed the cubic phase pyrochlore-type structure of the synthesized BMN. According to the Scanning Electron Microscope (SEM) images, the grain size increased with increasing sintering temperature. Additionally, it was shown that the densities of the BMN ceramic tablets vary with sintering temperature. The calculated theoretical density for the BMN ceramic tablets sintered at different temperatures is about 6.7521 . The density of the respective measured tablets is usually amounting more than 91% and 5 approaching a maximum value of 96.5% for sintering temperature of 1150°C. The microstructure was investigated by using Scanning Transmission Electron Microscope (STEM), X-ray diffraction (XRD). Combined with the results obtained from the STEM and XRD, the impact of sintering temperature on the macroscopic and microscopic structure was discussed. The relative dielectric constant ( ) and dielectric loss ( ) of the BMN solid solutions were measured to be 161-200 and (at room temperature and 100Hz-1MHz), respectively. The BMN solid

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

    Energy Technology Data Exchange (ETDEWEB)

    Waysbort, Daniel [Israel Institute for Biological Research, PO Box 19, Ness-Ziona 74100 (Israel); McGarvey, David J. [R and T Directorate, Edgewood Chemical and Biological Center (ECBC), Aberdeen Proving Ground-Edgewood Area, MD 21010 (United States)], E-mail: david.mcgarvey@us.army.mil; Creasy, William R.; Morrissey, Kevin M.; Hendrickson, David M. [SAIC, P.O. Box 68, Gunpowder Branch, Aberdeen Proving Ground, MD 21010 (United States); Durst, H. Dupont [R and T Directorate, Edgewood Chemical and Biological Center (ECBC), Aberdeen Proving Ground-Edgewood Area, MD 21010 (United States)

    2009-01-30

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

  13. 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).

  14. 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)

    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.

  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. Differences in physical chemistry and dissolution rate of solid particle aerosols from solution pressurised inhalers.

    Science.gov (United States)

    Buttini, Francesca; Miozzi, Michele; Balducci, Anna Giulia; Royall, Paul G; Brambilla, Gaetano; Colombo, Paolo; Bettini, Ruggero; Forbes, Ben

    2014-04-25

    Solution composition alters the dynamics of beclomethasone diproprionate (BDP) particle formation from droplets emitted by pressurised metered dose inhalers (pMDIs). The hypothesis that differences in inhaler solutions result in different solid particle physical chemistry was tested using a suite of complementary calorimetric techniques. The atomisation of BDP-ethanol solutions from commercial HFA-pMDI produced aerodynamically-equivalent solid particle aerosols. However, differences in particle physico-chemistry (morphology and solvate/clathrate formation) were detected by differential scanning calorimetry (DSC), thermogravimetric analysis (TGA) and supported by hot stage microscopy (HSM). Increasing the ethanol content of the formulation from 8 to 12% (w/w), which retards the evaporation of propellant and slows the increase in droplet surface viscosity, enhanced the likelihood of particles drying with a smooth surface. The dissolution rate of BDP from the 12% (w/w) ethanol formulation-derived particles (63% dissolved over 120 min) was reduced compared to the 8% (w/w) ethanol formulation-derived particles (86% dissolved over 120 min). The addition of 0.01% (w/w) formoterol fumarate or 1.3% (w/w) glycerol to the inhaler solution modified the particles and reduced the BDP dissolution rate further to 34% and 16% dissolved in 120 min, respectively. These data provide evidence that therapeutic aerosols from apparently similar inhaler products, including those with similar aerodynamic performance, may behave non-equivalently after deposition in the lungs. Copyright © 2014 Elsevier B.V. All rights reserved.

  17. 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.

  18. Synthesis and characterization of wormhole-like mesoporous Ce0.6Zr0.35Y0.05O2 solid solutions

    Institute of Scientific and Technical Information of China (English)

    WANG GuoZhi; ZHANG Lei; DENG JiGuang; DAI HongXing; HE Hong; ZI XueHong

    2007-01-01

    Nanoparticles of Ce0.6Zr0.35Y0.05O2 (CZY) solid solution have been prepared by the CTAB (hexadecyltrimethyl ammonium bromide), CTAB-EG (ethylene glycol) templating, and CTAB-EG-NaCl (in which the pores of the precursor synthesized by the CTAB-EG method is filled by a certain amount of NaCl) method, respectively. The physical properties of these materials were characterized by means of techniques such as X-ray diffraction (XRD), high resolution scanning electron microscopy (HRSEM), transmission electron microscopy (TEM), selected area electron diffraction (SAED), and N2 adsorption-desorption measurements. The CZY samples synthesized by the above three methods display wormhole-like mesoporous morphology and cubic crystal structures. The materials are narrow in pore size distribution (averaged pore diameter = 5.3―7.1 nm), high in surface areas (95―119 m2/g), and large in pore volumes (0.16―0.18 cm3/g). It has been demonstrated that the introduction of NaCl is capable of retaining the pore structures of solid nanomaterials at high-temperature calcination.

  19. Einsteinian cubic gravity

    Science.gov (United States)

    Bueno, Pablo; Cano, Pablo A.

    2016-11-01

    We drastically simplify the problem of linearizing a general higher-order theory of gravity. We reduce it to the evaluation of its Lagrangian on a particular Riemann tensor depending on two parameters, and the computation of two derivatives with respect to one of those parameters. We use our method to construct a D -dimensional cubic theory of gravity which satisfies the following properties: (1) it shares the spectrum of Einstein gravity, i.e., it only propagates a transverse and massless graviton on a maximally symmetric background; (2) it is defined in the same way in general dimensions; (3) it is neither trivial nor topological in four dimensions. Up to cubic order in curvature, the only previously known theories satisfying the first two requirements are the Lovelock ones. We show that, up to cubic order, there exists only one additional theory satisfying requirements (1) and (2). Interestingly, this theory is, along with Einstein gravity, the only one which also satisfies (3).

  20. A Study of Diffusivity in the BCC Solid Solution of Nb-Al and Nb-Ti-Al System

    Science.gov (United States)

    1990-01-01

    A STUDY OF DIFFUSIVITY IN THE BCC SOLID SOLUTION OF Nb-Al AND Nb-Ti-Al SYSTEM P DTIC ELECTE NOV 3o01993 A- J.BY JOSE GUADALUPE LUIS RUIZ APARICIO A...analysis was employed for the evaluation of composition profiles in all the diffusion couples. Tne interdiffusion coefficient for the 0 solid solution of Nb...system suggest that Ti is the fastest element in the J0 solid solution . Qualitatively the penetration tendencies correlate with the melting point of

  1. 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.

  2. 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.

  3. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Kong, Bin, E-mail: kongbin@buaa.edu.cn; Jia, Lina, E-mail: jialina@buaa.edu.cn; Su, Linfen, E-mail: sulinfen@mse.buaa.edu.cn; Guan, Kai, E-mail: guankai@mse.buaa.edu.cn; Weng, Junfei, E-mail: wengjf@mse.buaa.edu.cn; Zhang, Hu, E-mail: zhanghu@buaa.edu.cn

    2015-07-15

    Controlling the elements content in the niobium solid solution (Nb{sub SS}) 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, Nb{sub SS} grains are refined gradually with the increase of Si content. Meanwhile, the volume fraction of Cr{sub 2}Nb 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 Nb{sub SS} grains displays positive effect on fracture toughness, while the increase of solid solubility of Si in Nb{sub SS} and brittle Cr{sub 2}Nb and Nb-silicides precipitate phases display negative effect.

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

    Science.gov (United States)

    Claparede, Laurent; Guigue, Mireille; Jouan, Gauthier; Nadah, Nassima; Dacheux, Nicolas; Moisy, Philippe

    2017-01-01

    The long-term behavior of Th0.87Pu0.13O2 was examined in nitric acid concentrations. The normalized dissolution rates after 3380 days, range from (1.4 ± 0.2) × 10-6 g m-2 d-1 in 5 M HNO3 down to (3.2 ± 0.4) × 10-8 g m-2 d-1 in 10-3 M HNO3, which confirms the high chemical durability of this solid solution. The amounts of plutonium measured in solution lead to 0.9% and 2.1% of dissolved solid in 1 M and 5 M HNO3, respectively. In such conditions, the time required to reach the full dissolution of the material varies from 430 years (5 M HNO3) to 18,000 years (10-3 M HNO3). Moreover, the partial order related to the proton activity (n = 0.45 ± 0.03) suggests that the dissolution is mainly driven by surface reactions occurring at the solid/liquid interface. The characterization of the leached samples by SEM shows small microstructural modifications (i.e. detachment of crystallites) and the absence of neoformed phase while from PXRD, the unit cell parameter and crystallite size are not significantly affected.

  6. First principles studies on the impact of point defects on the phase stability of (Al{sub x}Cr{sub 1−x}){sub 2}O{sub 3} solid solutions

    Energy Technology Data Exchange (ETDEWEB)

    Koller, C. M., E-mail: christian.martin.koller@tuwien.ac.at [Christian Doppler Laboratory for Application Oriented Coating Development, TU Wien, Vienna, 1060 (Austria); Koutná, N. [Faculty of Science, Masaryk University, Kotlářská 2, Brno, 61137 (Czech Republic); Ramm, J. [Oerlikon Balzers, Oerlikon Surface Solutions AG, Balzers, 9496 (Liechtenstein); Kolozsvári, S. [Plansee Composite Materials GmbH, Lechbruck am See, 86983 (Germany); Paulitsch, J.; Mayrhofer, P. H. [Christian Doppler Laboratory for Application Oriented Coating Development, TU Wien, Vienna, 1060 (Austria); Institute of Materials Science and Technology, TU Wien, Vienna, 1060 (Austria); Holec, D. [Christian Doppler Laboratory for Application Oriented Coating Development, TU Wien, Vienna, 1060 (Austria); Department of Physical Metallurgy and Materials Testing, Montanuniversität Leoben, Leoben, 8700 (Austria)

    2016-02-15

    Density Functional Theory applying the generalised gradient approximation is used to study the phase stability of (Al{sub x}Cr{sub 1−x}){sub 2}O{sub 3} solid solutions in the context of physical vapour deposition (PVD). Our results show that the energy of formation for the hexagonal α phase is lower than for the metastable cubic γ and B1-like phases–independent of the Al content x. Even though this suggests higher stability of the α phase, its synthesis by physical vapour deposition is difficult for temperatures below 800 °C. Aluminium oxide and Al-rich oxides typically exhibit a multi-phased, cubic-dominated structure. Using a model system of (Al{sub 0.69}Cr{sub 0.31}){sub 2}O{sub 3} which experimentally yields larger fractions of the desired hexagonal α phase, we show that point defects strongly influence the energetic relationships. Since defects and in particular point defects, are unavoidably present in PVD coatings, they are important factors and can strongly influence the stability regions. We explicitly show that defects with low formation energies (e.g. metal Frenkel pairs) are strongly preferred in the cubic phases, hence a reasonable factor contributing to the observed thermodynamically anomalous phase composition.

  7. Supramolecular stabilization of metastable tautomers in solution and the solid state.

    Science.gov (United States)

    Juribašić, Marina; Bregović, Nikola; Stilinović, Vladimir; Tomišić, Vladislav; Cindrić, Marina; Sket, Primož; Plavec, Janez; Rubčić, Mirta; Užarević, Krunoslav

    2014-12-22

    This work presents a successful application of a recently reported supramolecular strategy for stabilization of metastable tautomers in cocrystals to monocomponent, non-heterocyclic, tautomeric solids. Quantum-chemical computations and solution studies show that the investigated Schiff base molecule, derived from 3-methoxysalicylaldehyde and 2-amino-3-hydroxypyridine (ap), is far more stable as the enol tautomer. In the solid state, however, in all three obtained polymorphic forms it exists solely as the keto tautomer, in each case stabilized by an unexpected hydrogen-bonding pattern. Computations have shown that hydrogen bonding of the investigated Schiff base with suitable molecules shifts the tautomeric equilibrium to the less stable keto form. The extremes to which supramolecular stabilization can lead are demonstrated by the two polymorphs of molecular complexes of the Schiff base with ap. The molecules of both constituents of molecular complexes are present as metastable tautomers (keto anion and protonated pyridine, respectively), which stabilize each other through a very strong hydrogen bond. All the obtained solid forms proved stable in various solid-state and solvent-mediated methods used to establish their relative thermodynamic stabilities and possible interconversion conditions.

  8. Guarded Cubical Type Theory

    DEFF Research Database (Denmark)

    Birkedal, Lars; Bizjak, Aleš; Clouston, Ranald;

    2016-01-01

    This paper improves the treatment of equality in guarded dependent type theory (GDTT), by combining it with cubical type theory (CTT). GDTT is an extensional type theory with guarded recursive types, which are useful for building models of program logics, and for programming and reasoning with co...

  9. 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)

  10. Joule-Thomson Inversion in Vapor-Liquid-Solid Solution Systems

    Science.gov (United States)

    Nichita, Dan Vladimir; Pauly, Jerome; Daridon, Jean-Luc

    2009-07-01

    Solid phase precipitation can greatly affect thermal effects in isenthalpic expansions; wax precipitation may occur in natural hydrocarbon systems in the range of operating conditions, the wax appearance temperature being significantly higher (as high as 350 K) for hyperbaric fluids. Recently, methods for calculating the Joule-Thomson inversion curve (JTIC) for two-phase mixtures, and for three-phase vapor-liquid-multisolid systems have been proposed. In this study, an approach for calculating the JTIC for the vapor-liquid-solid solution systems is presented. The JTIC is located by tracking extrema and angular points of enthalpy departure variations versus pressure at isothermal conditions. The proposed method is applied to several complex synthetic and naturally occurring hydrocarbon systems. The JTIC can exhibit several distinct branches (which may lie within two- or three-phase regions or follow phase boundaries), multiple inversion temperatures at fixed pressure, as well as multiple inversion pressures at given temperature.

  11. Modelling of solid polymer and direct methanol fuel cells: Phenomenological equations and analytical solutions

    Science.gov (United States)

    Kauranen, P. S.

    1993-04-01

    In the solid state concept of a direct methanol fuel cell (DMFC), methanol is directly oxidized at the anode of a solid polymer electrolyte fuel cell (SPEFC). Mathematical modelling of the transport and reaction phenomena within the electrodes and the electrolyte membrane is needed in order to get a closer insight into the operation of the fuel cell. In the work, macro-homogenous porous electrode and dilute solution theories are used to derive the phenomenological equations describing the transport and reaction mechanisms in a SPEFC single cell. The equations are first derived for a conventional H2/air SPEFC, and then extended for a DMFC. The basic model is derived in a one dimensional form in which it is assumed that species transport take place only in the direction crossing the cell sandwich. In addition, two dimensional descriptions of the catalyst layer are reviewed.

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

    Directory of Open Access Journals (Sweden)

    Marija Zbačnik

    2017-01-01

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

  13. Microstructural and Electrical Characterization of Barium Strontium Titanate-Based Solid Solution Thin Films Deposited on Ceramic Substrates by Pulsed Laser Deposition

    Science.gov (United States)

    2003-04-03

    Strontium Titanate-Based Solid Solution Thin Films Deposited on Ceramic Substrates by Pulsed Laser Deposition DISTRIBUTION: Approved for public...Society H2.4 Microstructural and Electrical Characterization of Barium Strontium Titanate- based Solid Solution Thin Films Deposited on Ceramic...investigated and report the microstructural and electrical characterization of selected barium strontium titanate-based solid solution thin films

  14. 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.

  15. 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.

  16. 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 < 0.05) in the extractable or acid-soluble and reducible fractions. By adopting the proposed approach, the 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. Ab Initio Calculations and Synthesis of Sc2InC-Y2InC Solid Solution

    Science.gov (United States)

    2010-02-03

    tribological materials. It will study a solid solution of this fascinating new class of nanolaminated materials using both theoretical and experimental means...Sc2InC-Y2InC solid solution using ab initio calculations and 2) to synthesize Sc2InC-Y2InC thin films using magnetron sputtering and to determine the correlation between composition, structure, and mechanical properties thereof.

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

    Science.gov (United States)

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

    2015-06-21

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

  3. 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.

  4. NMR in Chevrel-phase solid solution Mo 6Se 8- xTe x

    Science.gov (United States)

    Hamard, C.; Le Floch, M.; Peña, O.; Wojakowski, A.

    1999-01-01

    The Mo 6Se 8-Mo 6Te 8 solid solution was studied by X-ray diffraction, magnetic susceptibility and 77Se and 125Te NMR. Dynamic studies show that substitution occurs differently when Se replaces Te in Mo 6Te 8 than when Te replaces Se in Mo 6Se 8. Selenium first fills the high-symmetry sites and then it becomes statistically distributed on the 6f positions of the R3¯ symmetry. In the second case, Te occupies randomly the 8 X sites of the Mo 6X 8 structure, creating large perturbations of the 125Te NMR spectra over the whole range of x.

  5. Structural and optical properties of AlN grown by solid source solution growth method

    Science.gov (United States)

    Kangawa, Yoshihiro; Suetsugu, Hiroshige; Knetzger, Michael; Meissner, Elke; Hazu, Kouji; Chichibu, Shigefusa F.; Kajiwara, Takashi; Tanaka, Satoru; Iwasaki, Yosuke; Kakimoto, Koichi

    2015-08-01

    Structural and optical properties of AlN grown on AlN(0001) by the solid source solution growth (3SG) method were investigated. Transmission electron microscopy (TEM) analysis revealed that the geometrical relationship between the growth directions and slip planes influenced the dislocation propagation behaviors and annihilation mechanisms. Panchromatic and monochromatic images in the cathodoluminescence (CL) spectrum further revealed that C impurities were segregated near the surface, while Al vacancies were widely distributed in the AlN/AlN(0001) grown using the 3SG method.

  6. 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.

  7. 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.

  8. The application of Ce-Zr oxide solid solution to oxygen storage promoters in automotive catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Ozawa, Msakuni (Toyota Central Research and Development Labs. Inc., Aichi (Japan)); Kimura, Mareo (Toyota Central Research and Development Labs. Inc., Aichi (Japan)); Isogai, Akio (Toyota Central Research and Development Labs. Inc., Aichi (Japan))

    1993-03-15

    The complex oxides in the CeO[sub 2]-ZrO[sub 2] system were examined for the improvement of oxygen storage capacity in automotive catalysts. The formation of Ce-Zr oxide solid solution improved the thermal stability and activity of CeO[sub 2]. The Ce-Zr addition enhanced the removal activity for CO, NO[sub x] and hydrocarbons under dynamic air-fuel ratio condition. The automotive catalyst was designed and developed through research on the oxides in the CeO[sub 2]-ZrO[sub 2] system. (orig.)

  9. Methods of deoxygenating metals having oxygen dissolved therein in a solid solution

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-06-06

    A method of deoxygenating metal can include forming a mixture of: a metal having oxygen dissolved therein in a solid solution, at least one of metallic magnesium and magnesium hydride, and a magnesium-containing salt. The mixture can be heated at a deoxygenation temperature for a period of time under a hydrogen-containing atmosphere to form a deoxygenated metal. The deoxygenated metal can then be cooled. The deoxygenated metal can optionally be subjected to leaching to remove by-products, followed by washing and drying to produce a final deoxygenated metal.

  10. Surface stabilized nanosized Ce(x)Zr(1-x)O(2) solid solutions over SiO(2): characterization by XRD, Raman, and HREM techniques.

    Science.gov (United States)

    Reddy, Benjaram M; Lakshmanan, Pandian; Khan, Ataullah; Loridant, Stéphane; López-Cartes, Carlos; Rojas, Teresa C; Fernandez, Asunción

    2005-07-21

    Ce(x)Zr(1)(-)(x)O(2) solid solutions deposited over silica surface were investigated by X-ray diffraction (XRD), Raman spectroscopy (RS), and high-resolution transmission electron microscopy (HREM) techniques in order to understand the role of silica support and the temperature stability of these composite oxides. For the purpose of comparison, an unsupported Ce(x)Zr(1)(-)(x)O(2) was also synthesized and subjected to characterization by various techniques. The Ce(x)Zr(1)(-)(x)O(2)/SiO(2) (CZ/S) (1:1:2 mole ratio based on oxides) was synthesized by depositing Ce(x)Zr(1)(-)(x)O(2) solid solution over a colloidal SiO(2) support by a deposition precipitation method and unsupported Ce(x)Zr(1)(-)(x)O(2) (CZ) (1:1 mole ratio based on oxides) was prepared by a coprecipitation procedure, and the obtained catalysts were subjected to thermal treatments from 773 to 1073 K. The XRD measurements disclose the presence of cubic phases with the composition Ce(0.75)Zr(0.25)O(2) and Ce(0.6)Zr(0.4)O(2) in CZ samples, while CZ/S samples possess Ce(0.75)Zr(0.25)O(2), Ce(0.6)Zr(0.4)O(2), and Ce(0.5)Zr(0.5)O(2) in different proportions. The crystallinity of these phases increased with increasing calcination temperature. The cell a parameter estimations indicate contraction of ceria lattice due to the incorporation of zirconium cations into the CeO(2) unit cell. Raman measurements indicate the presence of oxygen vacancies, lattice defects, and displacement of oxygen ions from their normal lattice positions in both the series of samples. The HREM results reveal, in the case of CZ/S samples, a well-dispersed nanosized Ce-Zr-oxides over the surface of amorphous SiO(2). The structural features of these crystals as determined by digital diffraction analysis of experimental images reveal that the Ce-Zr-oxides are mainly in the cubic geometry and exhibit high thermal stability. Oxygen storage capacity measurements by a thermogravimetric method reveal a substantial enhancement in the oxygen

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

    Energy Technology Data Exchange (ETDEWEB)

    Reveron, H; Elissalde, C; Aymonier, C; Bousquet, C; Maglione, M; Cansell, F [Institut de Chimie de la Matiere Condensee de Bordeaux (ICMCB), CNRS-UPR 9048, Bordeaux I University, 87, avenue du Dr Schweitzer, 33608 PESSAC Cedex (France)

    2006-07-28

    In this study we show that pure and well crystallized nanoparticles of Ba{sub x}Sr{sub 1-x}TiO{sub 3} (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 {approx}20 to 40 nm. Ferroelectric ceramics with accurately adjustable Curie temperature (100-390 K) can thus be obtained by sintering.

  12. Silicon nitride-aluminum oxide solid solution (SiAION) formation and densification by pressure sintering

    Science.gov (United States)

    Yeh, H. C.; Sanders, W. A.; Fiyalko, J. L.

    1975-01-01

    Stirred-ball-mill-blended Si3N4 and Al2O3 powders were pressure sintered in order to investigate the mechanism of solid solution formation and densification in the Si3N4-Al2O3 system. Powder blends with Si3N4:Al2O3 mole ratios of 4:1, 3:2, and 2:3 were pressure sintered at 27.6-MN/sq m pressure at temperatures to 17000 C (3090 F). The compaction behavior of the powder blends during pressure sintering was determined by observing the density of the powder compact as a function of temperature and time starting from room temperature. This information, combined with the results of X-ray diffraction and metallographic analyses regarding solutioning and phase transformation phenomena in the Si3N4-Al2O3 system, was used to describe the densification behavior.

  13. A statistical mechanical calculation of the thermodynamic properties of interstitial solid solutions involving second nearest neighbor interactions.

    Science.gov (United States)

    Alex, K.; Mclellan, R. B.

    1971-01-01

    A previous calculation of the thermodynamic properties of interstitial solid solutions based on the technique of Kirkwood expansions has been extended to include the effects of second nearest neighbor solute atom mutual interactions. The error inherent in the first order (or quasi-chemical) counting of the degeneracy of the solution crystal is avoided. It is shown that, at high temperatures, even strong second nearest neighbor solute mutual interactions have a negligible effect on the entropy of the solution and a small, temperature-dependent effect on the solute partial enthalpy.

  14. Spectroscopic study of mimetite-vanadinite solid solution series - preliminary results

    Science.gov (United States)

    Janicka, Urszula; Bajda, Tomasz; Topolska, Justyna; Manecki, Maciej

    2014-05-01

    Mimetite Pb5(AsO4)3Cl and vanadinite Pb5(VO4)3Cl are minerals from the Pb-apatites family which belong to the apatite supergroup. Most often they crystalize under hypergenic conditions, in oxidation zones of Pb ore deposits, where they form paragenesis with pyromorphite Pb5(PO4)3Cl. These minerals are used in the techniques of soils reclamation. Their crystal structure allows substituting of metal cations as well as of anionic complexes. Natural mimetite often contains admixture of phosphates and/or vanadates. Similarly, vanadinite contains admixtures of phosphates and/or arsenates. Among the lead apatites, properties of the minerals from pyromorphite-mimetite solid solution series are well known, while the knowledge about the mimetite-vanadinite series is incomplete. The aim of this research was synthesis and spectroscopic characterization of mimetite-vanadinite solid solution series. Mimetite, vanadinite and their solid solution were synthesized from aqueous solutions by dropwise mixing of Pb(NO3)2, Na3VO4, Na2HAsO4×7H2O and NaCl at 25 ºC and pH = 3.5. Products of the syntheses were analyzed by X-Ray diffraction (XRD), Infrared absorption spectroscopy (FTIR) and Raman spectroscopy. The precipitates formed in the syntheses were identified by the XRD method as mimetite, vanadinite and their solid solutions. Other crystalline phases were not present in synthetic precipitates within the detection limit of XRD. In the Mid-IR spectra of mimetite-vanadinite solid solutions series, bands characteristic for vibrations of As-O bonds of the AsO4 tetrahedra and vibrations of V-O bonds of the VO4 tetrahedra were observed. The band corresponding to stretching ν3vibrations of AsO4 and VO4 occured in the range 700-900 cm-1. In the Raman spectra, bands which are characteristic for vibrations of As-O bonds of the AsO4 tetrahedra and vibrations of V-O bonds of the VO4 tetrahedra were also observed. The bands attributed to vibrations in the AsO4 tetrahedra appeared at 880-740 cm

  15. Real-time observation system development for high-temperature liquid/solid interfaces and its application to solid-source solution growth of AlN

    Science.gov (United States)

    Kangawa, Yoshihiro; Kusaba, Akira; Sumiyoshi, Hiroaki; Miyake, Hideto; Boćkowski, Michał; Kakimoto, Koichi

    2015-06-01

    Interfacial phenomena at the liquid/solid interface under high temperatures were observed in real time to understand the growth process of AlN during solid-source solution growth. In this study, we used an AlN/α-Al2O3 template as the substrate; these wide-bandgap materials made the substrate transparent to visible light. Therefore, we observed the morphology of the liquid/solid interface through the template from the bottom. In this investigation, a polycrystal formed because of melt-back etching during the initial stage of growth; nevertheless, we succeeded in obtaining real-time images of interfacial phenomena.

  16. CRACK PROBLEM UNDER SHEAR LOADING IN CUBIC QUASICRYSTAL

    Institute of Scientific and Technical Information of China (English)

    周旺民; 范天佑; 尹姝媛

    2003-01-01

    The axisymmetric elasticity problem of cubic quasicrystal is reduced to a single higher-order partial differential equation by introducing a displacement function. Based on the work, the analytic solutions of elastic field of cubic quasicrystal with a penny-shaped crack under the shear loading are found, and the stress intensity factor and strain energy release rate are determined.

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

    OpenAIRE

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

    2015-01-01

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

  18. Purely cubic action for string field theory

    Science.gov (United States)

    Horowitz, G. T.; Lykken, J.; Rohm, R.; Strominger, A.

    1986-01-01

    It is shown that Witten's (1986) open-bosonic-string field-theory action and a closed-string analog can be written as a purely cubic interaction term. The conventional form of the action arises by expansion around particular solutions of the classical equations of motion. The explicit background dependence of the conventional action via the Becchi-Rouet-Stora-Tyutin operator is eliminated in the cubic formulation. A closed-form expression is found for the full nonlinear gauge-transformation law.

  19. Purely cubic action for string field theory

    Science.gov (United States)

    Horowitz, G. T.; Lykken, J.; Rohm, R.; Strominger, A.

    1986-01-01

    It is shown that Witten's (1986) open-bosonic-string field-theory action and a closed-string analog can be written as a purely cubic interaction term. The conventional form of the action arises by expansion around particular solutions of the classical equations of motion. The explicit background dependence of the conventional action via the Becchi-Rouet-Stora-Tyutin operator is eliminated in the cubic formulation. A closed-form expression is found for the full nonlinear gauge-transformation law.

  20. Effect of framework and extra-framework cations substitutions on the zeolite structure: Single-crystal X-ray diffraction analysis of analcime and wairakite solid solutions

    Science.gov (United States)

    Sugano, N.; Kyono, A.

    2015-12-01

    There are a large number of natural and synthetic zeolites having a microporous structure, which is generally composed of Si/AlO4 three-dimensional framework. Analcime, NaAlSi2O6·H2O, is one of the most common naturally occurring zeolites. It forms a variety of solid solutions with wairakite, (Ca,Na2)Al2Si4O12·2H2O, pollucite (CsAlSi2O6·nH2O), and hsianghualite (Ca3Li2Be3Si3O12·F2). This study aimed to clarify structural variations in the solid solution between analcime and wairakite. Single crystals with compositions between analcime and wairakite were synthesized using hydrothermal synthesis method. Aluminium sulfate and sodium metasilicate nonahydrate gelled with distilled water were heated for 24 hours under 200 °C. The hydrothermally synthesized crystalline materials were analyzed by scanning electron microscope (SEM). SEM images showed that the grown single crystals exhibited euhedral trapezohedron shape up to 400μm in size. The effect of the cations substitution on the structural variation was examined by single-crystal X-ray diffraction analysis and electron probe micro-analyser (EPMA). Structure refinements based on the single-crystal X-ray diffraction data exhibited that crystal structures between analcime and wairakite belong to the cubic Ia-3d and kept approximately unchanged. Lattice parameter was monotonously reduced from 13.713 (1) Å to 13.650 (1) Å as a function of Ca concentration. In addition, the lattice parameter was also varied with Si/Al framework cation ratio. The contraction of the 6-membered oxygen rings was closely associated with exchanged cations and substituted framework cations. This study indicates that a geometry of micro-porous zeolite structure is significantly influenced by substitution of not only extra-framework cations but framework cations.

  1. Shape preserving rational cubic spline for positive and convex data

    Directory of Open Access Journals (Sweden)

    Malik Zawwar Hussain

    2011-11-01

    Full Text Available In this paper, the problem of shape preserving C2 rational cubic spline has been proposed. The shapes of the positive and convex data are under discussion of the proposed spline solutions. A C2 rational cubic function with two families of free parameters has been introduced to attain the C2 positive curves from positive data and C2 convex curves from convex data. Simple data dependent constraints are derived on free parameters in the description of rational cubic function to obtain the desired shape of the data. The rational cubic schemes have unique representations.

  2. Synthesis and structural characterization of (Bi2O3)1– (Y2O3) and (Bi2O3)1– (Gd2O3) solid solutions

    Indian Academy of Sciences (India)

    Srikant Ekhelikar; G K Bichile

    2004-02-01

    Solid solution series, (Bi2O3)1– (Y2O$_3) and (Bi2O$_3)1– (Gd2O$_3), for = 0.10, 0.20, 0.30 and 0.40 were synthesized by standard ceramic technique. The structural phase characterization was carried out using X-ray powder diffraction technique. It was found that the solid solution containing 20–40 mole% of Y2O3 had face-centred cubic structure. All samples of the solid solution series, (Bi2O3)1– (Gd2O3), had rhombohedral single phase in the concentration range 0.10 ≤ ≤ 0.40. Lattice parameters of fcc phase of Y2O3 doped samples were calculated from the X-ray diffraction data. The lattice constant `’ gradually decreases with increasing content of dopant concentration () for the Y2O3 doped system and obeys Vegard’s rule. The unit cell parameters for the (Bi2O3)1– (Gd2O3) doped samples showing rhombohedral phase were obtained on hexagonal setting.

  3. Optimizing the formation of solid solutions with components of different shapes

    Science.gov (United States)

    Escobedo, Fernando A.

    2017-04-01

    A key challenge to engineer ordered solids from the co-assembly of two differently shaped building blocks is to predict the key particle characteristics that lead to maximal mutual ordered-phase compatibility (MaxOC). While both entropy disparity, as captured by the relative size of the components, and energetic inter-species selectivity affect MaxOC, it is the former whose effect is less intuitive and the main focus of this work. Such MaxOC predictive rules are formulated and validated by using Monte Carlo simulation results for hard-core mixtures of octahedra and spheres and of other previously studied mixtures. Specifically, it is proposed that component size ratios should maximize their "substitutional symmetry" and hence minimize the combined free-energy cost associated with mutating a host-particle into a guest-particle in each of the solid phases. For the hard-core mixtures examined, packing entropy stabilizes substitutionally disordered solid solutions but not stoichiometric compounds. Additional molecular simulations were hence used to demonstrate, consistent with recent experimental findings, that such compounds can be formed by strengthening the inter-species compatibility via orientation-dependent attractions.

  4. Guarded Cubical Type Theory

    DEFF Research Database (Denmark)

    Birkedal, Lars; Bizjak, Aleš; Clouston, Ranald;

    2016-01-01

    This paper improves the treatment of equality in guarded dependent type theory (GDTT), by combining it with cubical type theory (CTT). GDTT is an extensional type theory with guarded recursive types, which are useful for building models of program logics, and for programming and reasoning...... with coinductive types. We wish to implement GDTT with decidable type-checking, while still supporting non-trivial equality proofs that reason about the extensions of guarded recursive constructions. CTT is a variation of Martin-L\\"of type theory in which the identity type is replaced by abstract paths between...... terms. CTT provides a computational interpretation of functional extensionality, is conjectured to have decidable type checking, and has an implemented type-checker. Our new type theory, called guarded cubical type theory, provides a computational interpretation of extensionality for guarded recursive...

  5. Guarded Cubical Type Theory

    DEFF Research Database (Denmark)

    Birkedal, Lars; Bizjak, Aleš; Clouston, Ranald;

    2016-01-01

    This paper improves the treatment of equality in guarded dependent type theory (GDTT), by combining it with cubical type theory (CTT). GDTT is an extensional type theory with guarded recursive types, which are useful for building models of program logics, and for programming and reasoning...... with coinductive types. We wish to implement GDTT with decidable type checking, while still supporting non-trivial equality proofs that reason about the extensions of guarded recursive constructions. CTT is a variation of Martin-L\\"of type theory in which the identity type is replaced by abstract paths between...... terms. CTT provides a computational interpretation of functional extensionality, enjoys canonicity for the natural numbers type, and is conjectured to support decidable type-checking. Our new type theory, guarded cubical type theory (GCTT), provides a computational interpretation of extensionality...

  6. 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.

  7. 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.

  8. Solid analyte and aqueous solutions sensing based on a flexible terahertz dual-band metamaterial absorber

    Science.gov (United States)

    Yan, Xin; Liang, Lan-Ju; Ding, Xin; Yao, Jian-Quan

    2017-02-01

    A high-sensitivity sensing technique was demonstrated based on a flexible terahertz dual-band metamaterial absorber. The absorber has two perfect absorption peaks, one with a fundamental resonance (f1) of the structure and another with a high-order resonance (f2) originating from the interactions of adjacent unit cells. The quality factor (Q) and figure of merit of f2 are 6 and 14 times larger than that of f1, respectively. For the solid analyte, the changes in resonance frequency are monitored upon variation of analyte thickness and index; a linear relation between the amplitude absorption with the analyte thickness is achieved for f2. The sensitivity (S) is 31.2% refractive index units (RIU-1) for f2 and 13.7% RIU-1 for f1. For the aqueous solutions, the amplitude of absorption decreases linearly with increasing the dielectric constant for the ethanol-water mixture of f1. These results show that the designed absorber cannot only identify a solid analyte but also characterize aqueous solutions through the frequency shift and amplitude absorption. Therefore, the proposed absorber is promising for future applications in high-sensitivity monitoring biomolecular, chemical, ecological water systems, and aqueous biosystems.

  9. Mechanical Properties of Mg-Gd and Mg-Y Solid Solutions

    Science.gov (United States)

    Kula, Anna; Jia, Xiaohui; Mishra, Raj K.; Niewczas, Marek

    2016-12-01

    The mechanical properties of Mg-Gd and Mg-Y solid solutions have been studied under uniaxial tension and compression between 4 K and 298 K (-269 °C and 25 °C). The results reveal that Mg-Gd alloys exhibit higher strength and ductility under tension and compression attributed to the more effective solid solution strengthening and grain-boundary strengthening effects. Profuse twinning has been observed under compression, resulting in a material texture with strong dominance of basal component parallel to compression axis. Under tension, twining is less active and the texture evolution is controlled mostly by slip. The alloys exhibit pronounced yield stress asymmetry and significantly different work-hardening behavior under tension and compression. Increasing of Gd and/or Y concentration leads to the reduction of the tension-compression asymmetry due to the weakening of the recrystallization texture and more balanced twinning and slip activity during plastic deformation. The results suggest that under compression of Mg-Y alloys slip is more active than twinning in comparison to Mg-Gd alloys.

  10. FTIR assessment of poly(ethylene oxide) irradiated in solid state, melt and aqeuous solution

    Science.gov (United States)

    Pucić, Irina; Jurkin, Tanja

    2012-09-01

    FTIR spectroscopy was used to study poly(ethylene oxide), PEO, irradiated in solid and molten aggregate states and as aqueous solutions of various concentrations. The changes in shape and width of -C-O-C- complex absorption intensities at around 1112 cm-1 were the most prominent. On irradiation of solid samples in contact with air shrinking of -C-O-C- complex and increase in its absorption intensities indicated predominant degradation. Crosslinking prevailed on irradiation of molten PEO and of its aqueous solutions in nitrogen atmosphere and manifested itself as widening of -C-O-C- absorption and decrease of corresponding intensities. Partial or complete merging of CH2 wagging vibrations at 1342 cm-1 and 1360 cm-1 that are characteristic of crystalline PEO into a single absorption at around 1350 cm-1 indicated amorphization what was observed for samples that had reduced degree of crystallinity determined by differential scanning calorimetry. DSC could not discriminate between degradation and crosslinking while the changes in width and shape of -C-O-C- complex were independent of the changes in crystallinity. Comparison of FTIR spectra of the same PEO samples obtained as thin film and as KBr pellets revealed that pellet preparation results in a number of spectral artefacts.

  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. Thermoelectric properties of the Ca(5)Al(2-x)In(x)Sb(6) solid solution.

    Science.gov (United States)

    Zevalkink, Alex; Swallow, Jessica; Ohno, Saneyuki; Aydemir, Umut; Bux, Sabah; Snyder, G Jeffrey

    2014-11-14

    Zintl phases are attractive for thermoelectric applications due to their complex structures and bonding environments. The Zintl compounds Ca(5)Al(2)In(x)Sb(6)and Ca(5)Al(2)In(x)Sb(6) have both been shown to have promising thermoelectric properties, with zT values of 0.6 and 0.7, respectively, when doped to control the carrier concentration. Alloying can often be used to further improve thermoelectric materials in cases when the decrease in lattice thermal conductivity outweighs reductions to the electronic mobility. Here we present the high temperature thermoelectric properties of the Ca(5)Al(2-x)In(x)Sb(6)solid solution. Undoped and optimally Zn-doped samples were investigated. X-ray diffraction confirms that a full solid solution exists between the Al and In end-members. We find that the Al : In ratio does not greatly influence the carrier concentration or Seebeck effect. The primary effect of alloying is thus increased scattering of both charge carriers and phonons, leading to significantly reduced electronic mobility and lattice thermal conductivity at room temperature. Ultimately, the figure of merit is unaffected by alloying in this system, due to the competing effects of reduced mobility and lattice thermal conductivity.

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

    Science.gov (United States)

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

    2016-01-01

    The discovery of ultrahigh piezoelectricity in relaxor-ferroelectric solid solution single crystals is a breakthrough in ferroelectric materials. A key signature of relaxor-ferroelectric solid solutions is the existence of polar nanoregions, a nanoscale inhomogeneity, that coexist with normal ferroelectric domains. Despite two decades of extensive studies, the contribution of polar nanoregions to the underlying piezoelectric properties of relaxor ferroelectrics has yet to be established. Here we quantitatively characterize the contribution of polar nanoregions to the dielectric/piezoelectric responses of relaxor-ferroelectric crystals using a combination of cryogenic experiments and phase-field simulations. The contribution of polar nanoregions to the room-temperature dielectric and piezoelectric properties is in the range of 50–80%. A mesoscale mechanism is proposed to reveal the origin of the high piezoelectricity in relaxor ferroelectrics, where the polar nanoregions aligned in a ferroelectric matrix can facilitate polarization rotation. This mechanism emphasizes the critical role of local structure on the macroscopic properties of ferroelectric materials. PMID:27991504

  14. Pressureless sintered beta prime-Si3N4 solid solution: Fabrication, microstructure, and strength

    Science.gov (United States)

    Dutta, S.

    1977-01-01

    Si3N4, AlN, and Al2O3 were used as basic constituents in a study of the pressureless sintering of beta prime-Si3N4 solid solution as a function of temperature. Y2O3-SiO2 additions were used to promote liquid-phase sintering. The sintered specimens were characterized with respect to density, microstructure, strength, oxidation, and thermal shock resistance. Density greater than 98 percent of theoretical was achieved by pressureless sintering at 1750 C. The microstructure consisted essentially of fine-grained beta prime-Si3N4 solid solution as the major phase. Modulus of rupture strengths up to 483 MPa were achieved at moderate temperature (1000 C), but decreased to 228 MPa at 1380 C. This substantial strength loss was attributed to a glassy grain boundary phase formed during cooling from the sintering temperature. The best oxidation resistance was exhibited by a composition containing 3 mol % Y2O3-SiO2 additives. Water quench thermal shock resistance was equivalent to that of reaction sintered silicon nitride but lower than hot-pressed silicon nitride.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-12-19

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

  16. Pressureless sintered beta-prime-Si3N4 solid solution - Fabrication, microstructure, and strength

    Science.gov (United States)

    Dutta, S.

    1977-01-01

    Pressureless sintering of beta-prime-Si3N4 solid solution was studied as a function of temperature using Si3N4, A1N, and Al2O3 as basic constituents. Y2O3-SiO2 additions were used to promote liquid-phase sintering. The sintered specimens were characterized with respect to density, microstructure, strength, oxidation, and thermal shock resistance. Density greater than 98 percent of theoretical was achieved by pressureless sintering at 1750 C. The microstructure consisted essentially of fine-grained beta-prime-Si3N4 solid solution as the major phase. Modulus of rupture strengths up to 483 M Pa were achieved at moderate temperature (1000 C), but decreased to 228 M Pa at 1380 C. This substantial strength loss was attributed to a 'glassy' grain boundary phase formed during cooling from the sintering temperature. The best oxidation resistance was exhibited by a composition containing 3 mol % Y2O3-SiO2 additives. Water quench thermal shock resistance was equivalent to that of reaction sintered silicon nitride but lower than hot-pressed silicon nitride.

  17. 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.

  18. 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.

  19. 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.

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

    Institute of Scientific and Technical Information of China (English)

    LI JinPing; HAN JieCai; MENG SongHe; WANG BaoLin

    2009-01-01

    The Zr-rich (Zr0.8Ti0.2)B2 and the Ti-rich Zr0.8Ti0.2)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 differen tmodels, 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.

  2. 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

  3. Tachyon Vacuum in Cubic Superstring Field Theory

    CERN Document Server

    Erler, Theodore

    2008-01-01

    In this paper we give an exact analytic solution for tachyon condensation in the modified (picture 0) cubic superstring field theory. We prove the absence of cohomology and, crucially, reproduce the correct value for the D-brane tension. The solution is surprising for two reasons: First, the existence of a tachyon vacuum in this theory has not been definitively established in the level expansion. Second, the solution {\\it vanishes} in the GSO$(-)$ sector, implying a ``tachyon vacuum'' solution exists even for a {\\it BPS} D-brane.

  4. 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

  5. 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.)

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

    Directory of Open Access Journals (Sweden)

    Anişoara CIOCAN

    2010-05-01

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

  7. 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.

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

    DEFF Research Database (Denmark)

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

    2014-01-01

    .6% per charge-discharge cycle is observed. The electrochemical stability of the LiBH4-LiI solid solution was investigated using cyclic voltammetry and is found to be limited to 3 V. The impedance of the battery cells was measured using impedance spectroscopy. A strong correlation is found between...

  9. 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

  10. Correlation of inhibitory effects of polymers on indomethacin precipitation in solution and amorphous solid crystallization based on molecular interaction.

    Science.gov (United States)

    Chauhan, Harsh; Kuldipkumar, Anuj; Barder, Timothy; Medek, Ales; Gu, Chong-Hui; Atef, Eman

    2014-02-01

    To correlate the polymer's degree of precipitation inhibition of indomethacin in solution to the amorphous stabilization in solid state. Precipitation of indomethacin (IMC) in presence of polymers was continuously monitored by a UV spectrophotometer. Precipitates were characterized by PXRD, IR and SEM. Solid dispersions with different polymer to drug ratios were prepared using solvent evaporation. Crystallization of the solid dispersion was monitored using PXRD. Modulated differential scanning calorimetry (MDSC), IR, Raman and solid state NMR were used to explore the possible interactions between IMC and polymers. PVP K90, HPMC and Eudragit E100 showed precipitation inhibitory effects in solution whereas Eudragit L100, Eudragit S100 and PEG 8000 showed no effect on IMC precipitation. The rank order of precipitation inhibitory effect on IMC was found to be PVP K90 > Eudragit E100 > HPMC. In the solid state, polymers showing precipitation inhibitory effect also exhibited amorphous stabilization of IMC with the same rank order of effectiveness. IR, Raman and solid state NMR studies showed that rank order of crystallization inhibition correlates with strength of molecular interaction between IMC and polymers. Correlation is observed in the polymers ability to inhibit precipitation in solution and amorphous stabilization in the solid state for IMC and can be explained by the strength of drug polymer interactions.

  11. Onset of itinerant ferromagnetism associated with semiconductor-metal transition in TiNb1-CoSn half Heusler solid solution compounds

    Indian Academy of Sciences (India)

    M A Kouacou; A A Koua; J T Zoueu; K Konan; J Pierre

    2008-07-01

    In this paper, the magnetic and transport properties of the TiNb1−CoSn solid solution compounds with half Heusler cubic MgAgAs-type structure have been studied. This work shows the onset of ferromagnetism associated with a semiconductor to metal transition. The transition occurs directly from ferromagnetic metal to semiconducting state as it is the case in the TiCoNi1−Sn series studied previously. A weak quantity of Ti in NbCoSn is sufficient to allow the appearance of ferromagnetic order and metallic state. The variations of the Curie temperature as a function of saturation and effective paramagnetic moments are related to the itinerant ferromagnetism model. A comparison is made with the TiCoSnSb1− series (also studied previously), where the transition from TiCoSn ferromagnetic metal to non-magnetic semiconductor TiCoSb occurs through an intermediate metallic Pauli-like state.

  12. Melt growth, structure and properties of (ZrO2)1-x(Sc2O3)x solid solution crystals (x=0.035-0.11)

    Science.gov (United States)

    Borik, M. A.; Bredikhin, S. I.; Kulebyakin, A. V.; Kuritsyna, I. E.; Lomonova, E. E.; Milovich, F. O.; Myzina, V. A.; Osiko, V. V.; Panov, V. A.; Ryabochkina, P. A.; Seryakov, S. V.; Tabachkova, N. Yu.

    2016-06-01

    Crystals of (ZrO2)1-x(Sc2O3)x solid solutions with x=0.035, 0.06, 0.09 and 0.11 have been grown for the first time using the directional crystallization technique. Analysis of the scandium distribution along the crystal showed that the composition of all specimens is homogeneous, and the Sc2O3 concentration is almost identical to its content in the charge. All specimens exhibit a little decline in the scandium concentration along the crystal, this indicating that the effective distribution coefficient Sc is slightly greater than 1. The structure of as-grown crystals has been studied as a function of the Sc2O3 stabilising oxide concentration by X-ray diffraction, transmission electron microscopy and Raman spectroscopy. Crystals containing 3.5 mol% Sc2O3 are a mixture of the monoclinic and tetragonal phases, the crystals containing 6 mol% Sc2O3 have a tetragonal structure, those with 9 mol% Sc2O3 have the tetragonal phase with inclusions of the rhombohedral one and the specimens with 11 mol% Sc2O3 represent the rhombohedral phase with inclusions of the cubic phase. The electrical conductivity was measured as a function of temperature by electrochemical impedance spectroscopy. The conductivity of the scandia stabilized crystals, in spite of their inhomogeneity, presence of stresses and low fracture toughness, is comparable with that of the yttria stabilized zirconia crystals.

  13. Influence of Ce0.35Zr0.55Y0.10 Solid Solution on Performance of Pt-Rh Three-Way Catalysts

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Ce0.35Zr0.55Y0.10 solid solution was prepared by co-precipitation technique and characterized by specific surface area measurements (BET) and X-ray diffraction (XRD). Ce0.35Zr0.55Y0.10 was used to prepare low Pt-Rh three-way catalyst (TWC), and its influence on the performance of TWC was investigated. The results revealed that Ce0.35Zr0.55Y0.10 had a cubic structure similar to Ce0.50Zr0.50O2 and its specific surface area can maintain higher than Ce0.50Zr0.50O2 after 1000 ℃ calcination for 5 h. Being hydrothermal aged at 1000 ℃ for 5 h, the catalyst containing Ce0.35Zr0.55Y0.10 still exhibited higher conversion of C3H8, CO and NO and lower light-off temperature in comparison with Ce0.50Zr0.50O2 TWC.

  14. Effect of dysprosium on the kinetics and structural transformations during the decomposition of the supersaturated solid solution in magnesium-samarium alloys

    Science.gov (United States)

    Rokhlin, L. L.; Luk'yanova, E. A.; Tabachkova, N. Yu.; Dobatkina, T. V.; Tarytina, I. E.; Korol'kova, I. G.

    2017-03-01

    The effect of dysprosium added in the amounts such that it does not form an individual phase in equilibrium with solid magnesium on the decomposition of the supersaturated magnesium solid solution in Mg-Sm alloys is studied. The presence of dysprosium in Mg-Sm alloys is found to retard the decomposition of the supersaturated magnesium solid solution and to increase the hardening effect upon aging. When these alloys are aged, dysprosium is partly retained in the magnesium solid solution and partly enters into the compositions of the phases that form during the decomposition of the solid solution and are characteristic of Mg-Sm alloys.

  15. 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).

  16. Influence of solid-solution treatment on microstructure, mechanical property and corrosion behavior of biodegradable Mg-Zn-Ca alloy

    Science.gov (United States)

    Ly, Xuan Nam; Yang, S.; Qin, Y.

    2017-03-01

    The influence of solid-solution treatment on microstructure, mechanical property and corrosion behavior of Mg-Zn-Ca alloy was studied in the present investigation by SEM, tensile test, electrochemical and immersion test. The results show that the microstructure of Mg alloys after solid solution treatment significantly changed, a large number of the second phase (Ca2Mg6Zn3, Mg2Ca) dissolved into the α-Mg matrix reaching a supersaturated state, and the grains size was bigger than before solid solution treatment; the mechanical properties were obviously improved. In particular the tensile strength of 0.5wt.% Ca of Mg alloy reached 220MPa and the ductility reached 16.6%. Compared with the as-cast Mg alloys, the corrosion potential after solid-solution treatment slightly shifted negative, but the corrosion current density significantly decreased. After solid solution treatment, the surface corrosion was not serious and the result of weight gain was lower compared with those of the as-cast Mg alloys.

  17. Temperature evolution of the crystal structure of Bi1 - xPrxFeO3 solid solutions

    Science.gov (United States)

    Karpinsky, D. V.; Troyanchuk, I. O.; Sikolenko, V. V.; Efimov, V.; Efimova, E.; Silibin, M. V.; Chobot, G. M.; Willinger, E.

    2014-11-01

    The crystal structure of solid solutions in the Bi1 - xPrxFeO3 system near the structural transition between the rhombohedral and orthorhombic phases (0.125 ≤ x ≤ 0.15) has been studied. The structural phase transitions induced by changes in the concentration of praseodymium ions and in the temperature have been investigated using X-ray diffraction, transmission electron microscopy, and differential scanning calorimetry. It has been established that the sequence of phase transformations in the crystal structure of Bi1 - xPrxFeO3 solid solutions with variations in the temperature differs significantly from the evolution of the crystal structure of the BiFeO3 compounds with the substitution of other rare-earth elements for bismuth ions. The regions of the existence of the single-phase structural state and regions of the coexistence of the structural phases have been determined in the investigation of the crystal structure of the Bi1 - xPrxFeO3 solid solutions. A three-phase structural state has been revealed for the solid solution with x = 0.125 at temperatures near 400°C. The specific features of the structural phase transitions of the compounds in the vicinity of the morphotropic phase boundary have been determined by analyzing the obtained results. It has been found that the solid solutions based on bismuth ferrite demonstrate a significant improvement in their physical properties.

  18. Noble Metal-Free Ceria-Zirconia Solid Solutions Templated by Tobacco Materials for Catalytic Oxidation of CO

    Directory of Open Access Journals (Sweden)

    Donglai Zhu

    2016-09-01

    Full Text Available A series of ceria-zirconia solid solutions were synthesized using tobacco leaves, stems and stem-silks as biotemplates. A combination of physicochemical techniques such as powder X-ray diffraction (XRD, N2 adsorption/desorption measurement, scanning electron microscopy (SEM, and transmission electron microscopy (TEM were used to characterize the as-synthesized samples. The results show that the morphologies of the templates were well replicated in the obtained ceria-zirconia solid solutions. Catalytic oxidation activities of CO over the ceria-zirconia solid solutions were then investigated. The catalyst templated by tobacco stem-silk exhibited higher conversion of CO at lower temperature than that of ceria-zirconia solid solutions templated by tobacco leaves and stems or without templates due to its special morphology. The catalyst even showed similar CO conversion when compared to ceria-zirconia solid solutions doped with 1.0 wt % noble metals such as Pt, Ag and Au. The results highlighted the advantages of using tobacco as biotemplate.

  19. Solid- and solution-phase organics dictate copper distribution and speciation in multicomponent systems containing ferrihydrite, organic matter, and montmorillonite.

    Science.gov (United States)

    Martínez-Villegas, Nadia; Martínez, Carmen Enid

    2008-04-15

    Copper retention by ferrihydrite, leaf compost, and montmorillonite was studied over 8 months in systems that emulate a natural soil where different solid phases compete for Cu through a common solution in a compartmentalized batch reactor. Copper speciation in solution (total dissolved, DPASV-labile, and free) and exchangeable and total Cu in individual solid phases were determined. Organic carbon in solution (DOC) and that retained by the mineral phases were also determined. Cu sorption reached steady-state after 4 months and accounted for 80% of the Cu initially added to the system (0.15 mg L(-1)). The remaining 20% stayed in solution as nonlabile (82.8%), labile (17%), and free (0.2%) Cu species. Copper sorption followed the order organic matter > silicate clays > iron oxides. Within each solid phase, exchangeable Cu was < or = 10% of the total Cu sorbed. DOC reached steady state (22 mg L(-1)) after 4 months and seemed to control Cu solubility and sorption behavior by the formation of soluble Cu-DOC complexes and by sorbing onto the mineral phases. DOC sorption onto ferrihydrite prevented Cu retention by this solid phase. Using a multicomponent system and 8 months equilibrations, we were able to capture some of the more important aspects of the complexity of soil environments bytaking into account diffusion processes and competition among solid- and solution-phase soil constituents in the retention of a metal cation.

  20. 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

  1. Plane problems of cubic quasicrystal media with an elliptic hole or a crack

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Yang, E-mail: gaoyangg@gmail.com [Institute of Mechanics, University of Kassel, Kassel 34125 (Germany); Ricoeur, Andreas [Institute of Mechanics, University of Kassel, Kassel 34125 (Germany); Zhang, Liangliang [College of Science, China Agricultural University, Beijing 100083 (China)

    2011-07-11

    Based on the complex potential method, plane problems of cubic quasicrystal media containing an elliptic hole subjected to uniform remote loadings are solved. The explicit solutions for the coupled fields are given in the closed form. Degenerating the elliptic hole into a crack, the asymptotic distribution of the phonon and phason stress fields near the crack tip exhibits inverse square root singularities. Explicit expressions for the stress intensity factors, crack opening displacements and strain energy release rate are also presented. -- Highlights: → Lekhnitskii's formalism is extended to cubic QC solids. → The plane problem of an elliptic hole or crack is investigated. → Analytical expressions for both entire and asymptotic fields are determined. → The stress intensity factors are independent of material constants. → The coupled field strongly affects the configuration and strain energy of the crack.

  2. 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.

  3. Determining the Photoisomerization Quantum Yield of Photoswitchable Molecules in Solution and in the Solid State

    Science.gov (United States)

    Stranius, K.; Börjesson, K.

    2017-01-01

    Photoswitchable molecules are able to isomerize between two metastable forms through light stimuli. Originally being studied by photochemists, this type of molecule has now found a wide range of applications within physics, chemistry and biology. The extensive usage of photochromic molecules is due to the two isomers having fundamentally different physical and chemical properties. The most important attribute of a photoswitch is the photoisomerization quantum yield, which defines the efficiency of the photoisomerization event. Here we show how to determine the photoisomerization quantum yield in the solid state and in solution when taking thermal processes into account. The described method together with provided software allows for rapid and accurate determination of the isomerization process for this important class of molecules.

  4. Solid Solution Quantum Dots with Tunable Dual or Ultrabroadband Emission for LEDs.

    Science.gov (United States)

    Gugula, Krzysztof; Entrup, Michael; Stegemann, Linda; Seidel, Stefan; Pöttgen, Rainer; Strassert, Cristian A; Bredol, Michael

    2017-01-11

    Quantum dots that efficiently emit white light directly or feature a "candle-like" orange photoluminescence with a high Stokes shift are presented. The key to obtaining these unique emission properties is through controlled annealing of the core Cu-In-Ga-S quantum dots in the presence of zinc ions, thus forming Zn-Cu-In-Ga-S solid solutions with different distributions of the substitution and dopant elements. The as-obtained nanocrystals feature excellent quantum yields of up to 82% with limited or even eliminated reabsorption and a color rendering index of bare particles of up to 88, enabling the production of high-quality white LEDs using a single color converter layer. Furthermore, the color properties can be tuned by changing the experimental conditions as well as by varying the excitation wavelength. The multicomponent luminescence mechanism is discussed in detail based on similar literature reports. White LEDs with unparalleled color quality and competitive luminous efficacies are presented herein.

  5. 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.

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

    Science.gov (United States)

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

    2013-05-01

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

  7. Synthesis, solid and solution studies of paraquat dichloride calixarene complexes. Molecular modelling

    Energy Technology Data Exchange (ETDEWEB)

    Garcia S, I.; Ramirez, F. M., E-mail: flor.ramirez@inin.gob.m [ININ, Departamento de Quimica, Carretera Mexico-Toluca s/n, 52750 Ocoyoacac, Estado de Mexico (Mexico)

    2010-07-01

    The interaction of the herbicide paraquat dichloride (P Q, substrate) with p-tert-butylcalix arenas (L, receptor) was investigated in both the solution and solid states. The isolated paraquat calixarene complexes were characterised by UV-visible, {sup 1}H NMR, ESI-Ms, Luminescence and IR spectroscopies and elemental analysis. The stoichiometry of complexes 1 and 2 was 1:1 (1 herbicide: 1 calixarene) and both revealed a biexponential luminescence decay with lifetimes depending on the size and the conformational particularity of the calixarenes. Molecular modelling suggested that both calixarenes interact with the herbicide through cation-{pi} interaction. P Q in included in the p-tert butylcalix a rene cavity, a situation favoured by its pinched conformation in polar solvent while it is partially included in the p-tert butylcalix a rene cavity because of its in-out cone conformation. The theoretical results, in particular using Mopac procedures, were in agreement with the experimental findings. (Author)

  8. 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.

  9. Effect of oxygen defects on thermal conductivity of thorium-cerium dioxide solid solutions

    Science.gov (United States)

    Muta, Hiroaki; Kado, Hirohisa; Ohishi, Yuji; Kurosaki, Ken; Yamanaka, Shinsuke

    2017-01-01

    Thermal conductivity of thorium-cerium dioxide solid solutions has been measured and analyzed using the relaxation time approximation. Despite the presence of oxygen defects, the partially reduced Th0.8Ce0.2O1.97 exhibited higher thermal conductivity than the stoichiometric one, Th0.8Ce0.2O2.00, showing the same tendency as that previously reported for Th0.7Pu0.3O2-δ. The increase in thermal conductivity with the oxygen defects can be explained by assuming that cerium ions have an average ionic radius of the ionic radii of Ce3+ and Ce4+ in the description of phonon-impurity scattering. This result indicates that the small reduction of (Th,Pu)O2-δ fuel increases the thermal conductivity, especially at high temperatures.

  10. 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)

  11. 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......Metal halide ammines are very attractive materials for ammonia absorption and storage—applications where the practically accessible or usable gravimetric and volumetric storage densities are of critical importance. Here we present, that by combining advanced computational materials prediction...... with different ammonia ab- and desorption properties. In particular it is shown, that in the molar range of 35–50% barium and 65–50% strontium, stable materials can be produced with a practically usable ammonia density (both volumetric and gravimetric) that is higher than any of the pure metal halides...

  12. Thermal stability of a supersaturated Fe-Ge-Nb solid solution produced by ball milling

    Energy Technology Data Exchange (ETDEWEB)

    Ipus, J J; Blazquez, J S; Conde, A, E-mail: conde@us.e [Dpto. Fisica de la Materia Condensada, ICMSE-CSIC, Universidad de Sevilla, PO Box 1065, 41080, Sevilla (Spain)

    2010-03-01

    Thermal evolution of Fe neighbourhood in a supersaturated bcc Fe(Ge,Nb) solid solution, obtained as the final product of mechanical alloying of Fe{sub 75}Ge{sub 20}Nb{sub 5}, was studied. No changes in Fe neighbourhood were detected after heating up to 473 K, although differential scanning calorimetry shows a clear deviation of the baseline at 400 K. After heating up to 723 K, a similar nanocrystalline microstructure is derived from X-ray diffraction. However, Moessbauer spectra evidence changes in the Fe neighbourhood. A proposed deconvolution of the hyperfine field distribution yields a Ge content of {approx}10 at. %, in agreement with the maximum solubility of Ge in bcc Fe in thermodynamical equilibrium.

  13. 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.

  14. Synthesis, characterization and thermal stability of solid solutions Zr (Y, Fe, MoO2

    Directory of Open Access Journals (Sweden)

    Felipe Legorreta-García

    2015-05-01

    Full Text Available The synthesis of Fe3+, Mo4+ and Y3+ 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 Fe3+, Mo4+ and Y3+ ions in the zirconia tetragonal monophase, even after calcinations.

  15. Free Volumes Associated with Sintering in Gadolinium Doped Ceria Solid Solutions

    Directory of Open Access Journals (Sweden)

    Tomomi Kosaka

    2010-01-01

    Full Text Available Gadolinium-doped ceria (GDC solid solution prepared by the oxalate coprecipitation method is investigated by X-ray diffraction (XRD, complex impedance analysis, and positron lifetime spectroscopy. XRD reveals an expansion of GDC lattice constant by doping gadolinium into a ceria host crystal, in agreement with an oxygen vacancy model. The ionic conductivity of GDC measured at 773 K in air is two orders of magnitude higher than that of undoped ceria. Positron lifetime spectroscopy reveals the presence of vacancy-sized free volumes and nanovoids in interfaces among crystallites. It is found that the vacancy-sized free volumes shrink with increasing sintering temperatures. In the present paper, recent advances in the studies of GDC by XRD, complex impedance measurement, and positron lifetime spectroscopy are reviewed to gain an insight into the sintering mechanism.

  16. Remanent magnetization of a 'paramagnetic' composition in the ilmenite-hematite solid solution stress

    Science.gov (United States)

    Lawson, C. A.; Nord, G. L., Jr.

    1984-01-01

    In the ilmenite-hematite solid solution series, compositions more ilmenite-rich than Ilm(73)Hem(27) are classically thought to be paramagnetic at room temperature. Ilm(80)Hem(20) samples have nevertheless been synthesized that acquire hard saturation remanent and thermoremanent moments. From analysis of AC demagnetization data, the source of the measured remanence is believed to be a single-domain (SD) like material within the IlM(80)Hem(20) grains themselves. On the basis of transmission electron microscope observations, it is suggested that transformation-induced domain boundaries, which in part are enriched in hematite component relative to the bulk composition of the grains, could act as the magnetic carrier of the SD-like remanence.

  17. Flow-Solution-Liquid-Solid Growth of Semiconductor Nanowires: A Novel Approach for Controlled Synthesis

    Energy Technology Data Exchange (ETDEWEB)

    Hollingsworth, Jennifer A. [Los Alamos National Laboratory; Palaniappan, Kumaranand [Los Alamos National Laboratory; Laocharoensuk, Rawiwan [National Science and Technology Center, Thailand; Smith, Nickolaus A. [Los Alamos National Laboratory; Dickerson, Robert M. [Los Alamos National Laboratory; Casson, Joanna L. [Los Alamos National Laboratory; Baldwin, Jon K. [Los Alamos National Laboratory

    2012-06-07

    Semiconductor nanowires (SC-NWs) have potential applications in diverse technologies from nanoelectronics and photonics to energy harvesting and storage due to their quantum-confined opto-electronic properties coupled with their highly anisotropic shape. Here, we explore new approaches to an important solution-based growth method known as solution-liquid-solid (SLS) growth. In SLS, molecular precursors are reacted in the presence of low-melting metal nanoparticles that serve as molten fluxes to catalyze the growth of the SC-NWs. The mechanism of growth is assumed to be similar to that of vapor-liquid-solid (VLS) growth, with the clear distinctions of being conducted in solution in the presence of coordinating ligands and at relatively lower temperatures (<300 C). The resultant SC-NWs are soluble in common organic solvents and solution processable, offering advantages such as simplified processing, scale-up, ultra-small diameters for quantum-confinement effects, and flexible choice of materials from group III-V to groups II-VI, IV-VI, as well as truly ternary I-III-VI semiconductors as we recently demonstrates. Despite these advantages of SLS growth, VLS offers several clear opportunities not allowed by conventional SLS. Namely, VLS allows sequential addition of precursors for facile synthesis of complex axial heterostructures. In addition, growth proceeds relatively slowly compared to SLS, allowing clear assessments of growth kinetics. In order to retain the materials and processing flexibility afforded by SLS, but add the elements of controlled growth afforded by VLS, we transformed SLS into a flow based method by adapting it to synthesis in a microfluidic system. By this new method - so-called 'flow-SLS' (FSLS) - we have now demonstrated unprecedented fabrication of multi-segmented SC-NWs, e.g., 8-segmented CdSe/ZnSe defined by either compositionally abrupt or alloyed interfaces as a function of growth conditions. In addition, we have studied growth

  18. Synthesis, magnetic and dielectric characterization of nanocrystalline solid solutions of In{sub 2−x}Ni{sub x}O{sub 3} (x = 0.05, 0.10 and 0.15)

    Energy Technology Data Exchange (ETDEWEB)

    Ahmad, Tokeer, E-mail: tahmad3@jmi.ac.in [Nanochemistry Laboratory, Department of Chemistry, Jamia Millia Islamia, New Delhi 110025 (India); Khatoon, Sarvari [Nanochemistry Laboratory, Department of Chemistry, Jamia Millia Islamia, New Delhi 110025 (India); Coolahan, Kelsey [Department of Physics and Astronomy, Rowan University, 201 Mullica Hill Road, Glassboro, NJ 08028 (United States)

    2013-09-01

    Graphical abstract: Monophasic and crystalline In{sub 2−x}Ni{sub x}O{sub 3} nanoparticles of size 8–15 nm have been synthesized solvothermally and showed red shift in energy band gap which decreases on increasing Ni{sup 2+} concentration in In{sub 2}O{sub 3} host lattice. - Highlights: • Monophasic Ni-doped In{sub 2}O{sub 3} nanoparticles by solvothermal method for first time. • Plausible reaction mechanism using thermogravimetric analysis. • High surface area with small particle size obtained. • Solid solutions exhibit paramagnetism with very weak antiferromagnetic interactions. - Abstract: In{sub 2−x}Ni{sub x}O{sub 3} (x = 0.05, 0.10 and 0.15) nanoparticles were successfully synthesized by solvothermal method by the thermal decomposition of oxalate precursor at 450 °C for the first time. X-ray diffraction studies showed the formation of highly crystalline and monophasic cubic structure of In{sub 2}O{sub 3} which is attributed to the formation of solid solution. These nanoparticles show good optical transmittance in the visible region. Optical measurements showed an energy band gap which decreases with increasing Ni concentration. The grain size decreases from 15 nm to 8 nm and surface area increases from 90 to 254 m{sup 2} g{sup −1} on increasing the Ni concentration. High dielectric constant and dielectric loss has been obtained which indicates the conducting nature of these solid solutions. Magnetic measurements showed that the samples are strong paramagnetic in nature with very weak antiferromagnetic interactions. No evidence of ferromagnetism is observed for these solid solutions at room temperature.

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

    Energy Technology Data Exchange (ETDEWEB)

    Bialy, Agata [Amminex Emissions Technology A/S, Gladsaxevej 363, 2860 Soeborg (Denmark); Jensen, Peter B. [Department of Energy Conversion and Storage, Technical University of Denmark, Frederiksborgvej 399, DK-4000 Roskilde (Denmark); Center for Atomic-scale Materials Design, Department of Physics, Technical University of Denmark, Fysikvej 311, DK-2800 Kgs. Lyngby (Denmark); Blanchard, Didier [Department of Energy Conversion and Storage, Technical University of Denmark, Frederiksborgvej 399, DK-4000 Roskilde (Denmark); Vegge, Tejs, E-mail: teve@dtu.dk [Department of Energy Conversion and Storage, Technical University of Denmark, Frederiksborgvej 399, DK-4000 Roskilde (Denmark); Quaade, Ulrich J., E-mail: ujq@amminex.com [Amminex Emissions Technology A/S, Gladsaxevej 363, 2860 Soeborg (Denmark)

    2015-01-15

    Metal halide ammines are very attractive materials for ammonia absorption and storage—applications where the practically accessible or usable gravimetric and volumetric storage densities are of critical importance. Here we present, that by combining advanced computational materials prediction 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 with different ammonia ab- and desorption properties. In particular it is shown, that in the molar range of 35–50% barium and 65–50% strontium, stable materials can be produced with a practically usable ammonia density (both volumetric and gravimetric) that is higher than any of the pure metal halides, and with a practically accessible volumetric ammonia densities in excess of 99% of liquid ammonia. - Graphical abstract: Thermal desorption curves of ammonia from Ba{sub x}Sr{sub (1−x)}Cl{sub 2} mixtures with x equal to 0.125, 0.25 and 0.5 and atomic structure of Sr(NH{sub 3}){sub 8}Cl{sub 2}. - Highlights: • Solid solutions of strontium and barium chloride were synthesized by spray drying. • Adjusting molar ratios led to different crystallographic phases and compositions. • Different molar ratios led to different ammonia ab-/desorption properties. • 35–50 mol% BaCl{sub 2} in SrCl{sub 2} yields higher ammonia density than any other metal halide. • DFT calculations can be used to predict properties of the mixtures.

  20. BN-coated Ca(1-x)Sr(x)S:Eu solid-solution nanowires with tunable red light emission.

    Science.gov (United States)

    Lin, Jing; Huang, Yang; Mi, Jiao; Zhang, Xinghua; Lu, Zunming; Xu, Xuewen; Fan, Ying; Zou, Jin; Tang, Chengchun

    2013-10-11

    We report on the controlled growth of novel BN-coated Ca(1-x)Sr(x)S:Eu nanowires via a solid-liquid-solid process. The Ca(1-x)Sr(x)S solid solution forms as one-dimensional nanowires and has been coated with homogeneous protective BN nanolayers. The structure and luminescence properties of this new nanocomposite have been systematically investigated. High-spatial-resolution cathodoluminescence investigations reveal that effective red color tuning has been achieved by tailoring the composition of the Ca(1-x)Sr(x)S nanowires. Moreover, codoping of Ce(3+) and Eu(2+) in the CaS nanowire can induce energy transfer in the matrix and make it possible to obtain enhanced orange color in the nanowires. The BN-coated Ca(1-x)Sr(x)S:Eu solid-solution nanowires are envisaged to be valuable red-emitting nanophosphors and useful in advanced nanodevices and white LEDs.

  1. 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.

  2. Blue-shift of Eu²⁺ emission in (Ba,Sr)₃Lu(PO₄)₃:Eu²⁺ eulytite solid-solution phosphors resulting from release of neighbouring-cation-induced stress.

    Science.gov (United States)

    Wang, Ziyuan; Xia, Zhiguo; Molokeev, Maxim S; Atuchin, Victor V; Liu, QuanLin

    2014-11-28

    A series of iso-structural eulytite-type (Ba,Sr)3Lu(PO4)3:Eu(2+) solid-solution phosphors with different Sr/Ba ratios were synthesized by a solid-state reaction. Crystal structures of (Ba,Sr)3Lu(PO4)3:Eu(2+) were resolved by the Rietveld method, which shows an eulytite-type cubic Bi4(SiO4)3 structure with cations disordered in a single C3 site while the oxygen atoms were distributed over two partially occupied sites. The emission peaks of Ba((3-x))Sr(x)Lu(PO4)3:Eu(2+) (0 ≤ x ≤ 3) phosphors were blue-shifted, from 506 to 479 nm, with increasing Sr/Ba ratio upon the same excitation wavelength of 365 nm, and such interesting luminescence behaviours can also be found in other eulytite-type (Ba,Sr)3Ln(PO4)3:Eu(2+) (Ln = Y, Gd) solid-solution phosphors. The blue-shift of the Eu(2+) emission with increasing Sr/Ba ratio was ascribed to the variation of the crystal field strength that the 5d orbital of Eu(2+) ion experiences, and a new model based on the Eu-O bond length and released neighboring-cation stress in disordered Ba(2+)/Sr(2+)/Ln(3+) sites is proposed.

  3. 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

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

    OpenAIRE

    Selin, Emma

    2013-01-01

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

  5. Black holes in a cubic Galileon universe

    CERN Document Server

    Babichev, Eugeny; Lehébel, Antoine; Moskalets, Tetiana

    2016-01-01

    We find and study the properties of black hole solutions for a subclass of Horndeski theory including the cubic Galileon term. The theory under study has shift symmetry but not reflection symmetry for the scalar field. The Galileon is assumed to have linear time dependence characterized by a velocity parameter. We give analytic 3-dimensional solutions that are akin to the BTZ solutions but with a non-trivial scalar field that modifies the effective cosmological constant. We then study the 4-dimensional asymptotically flat and de Sitter solutions. The latter present three different branches according to their effective cosmological constant. For two of these branches, we find families of black hole solutions, parametrized by the velocity of the scalar field. These spherically symmetric solutions, obtained numerically, are different from GR solutions close to the black hole event horizon, while they have the same de-Sitter asymptotic behavior. The velocity parameter represents black hole primary hair.

  6. Microcosm experiments to study the interaction of solid and solute phases during initial soil development

    Science.gov (United States)

    Zimmermann, C.; Chabbi, S.; Schaaf, W.

    2009-04-01

    During the initial phase of soil formation mineral weathering, interactions between the solid and liquid phases as well as accumulation of organic matter play an important role for the development of soil properties and for the establishment of vegetation and the colonization of soil biota. Our study is part of the Transregional Collaborative Research Centre (SFB/TRR 38) ‘Patterns and processes of initial ecosystem development in an artificial catchment' funded by the Deutsche Forschungsgemeinschaft (DFG). The catchment ´Chicken Creeḱ close to Cottbus (Germany) has a size of 6 ha and is composed of a 3-4 m layer of Quaternary loamy to sandy sediments overlying a 1-2 m clay layer. To connect interactions between the soil solid phase and soil solution at the micro-scale with observed processes at the catchment scale we perform microcosm experiments with soil samples from the catchment under controlled laboratory conditions. The microcosm experiments are carried out in a climate chamber at constant 10 °C corresponding to the mean annual temperature of the region. In total 48 soil columns with a diameter of 14.4 cm and height of 30 cm were filled with substrates of two textural compositions reflecting the gradients observed at the catchment and a bulk density of 1.4-1.5 g*cm3. Within the microcosms it is possible to control the gaseous phase and the water fluxes by artificial irrigation. The irrigation runs automated and quasi-continuously four times a day with 6.6 ml each (in total 600 mm*yr-1). Irrigation amount and chemical composition of the artificial rainwater are based on the annual mean at the field site. Litter of two different plant species occurring at the catchment site (Lotus corniculatus, Calamagrostis epigejos) labelled with stable isotopes (δ13C; δ15N) is used for the experiments. All treatments including a control run with four replicates. The gaseous phase in the headspace of the microcosms is analysed continuously for CO2 and N2O contents

  7. Preparation of optimized uranium and thorium bearing brabantite or monazite/brabantite solid solutions

    Energy Technology Data Exchange (ETDEWEB)

    Terra, O.; Dacheux, N.; Clavier, N. [Univ Paris 11, IPNO, Grp Radiochim, F-91406 Orsay, (France); Terra, O.; Audubert, F. [CEA Cadarache, DEN/DEC, F-13108 St Paul Les Durance, (France); Dacheux, N.; Clavier, N.; Podor, R. [ICMS UMR 5257, CNRS/CEA/UM2/ENSCM, F-30207 Bagnols Sur Ceze, (France); Podor, R. [Univ Nancy 1, LCSM, F-54506 Vandoeuvre Les Nancy, (France)

    2008-07-01

    The simultaneous incorporation of thorium and uranium(IV) in the rare-earth ortho-phosphates from a mixture of powdered AnO{sub 2}, (NH{sub 4})(H{sub 2}PO{sub 4}), and Ca(HPO{sub 4}).2H{sub 2}O was successfully performed, leading to the formation of single-phase Th-brabantite (Ca{sub 0.5}Th{sub 0.5}PO{sub 4}), U-brabantite (Ca{sub 0.5}U{sub 0.5}PO{sub 4}), and (Th,U)-brabantites (Ca{sub 0.5}Th{sub 0.5-y}U{sub y}PO{sub 4}). The repetition of several cycles composed of a grinding step (30 Hz, 15 min) and of a heat treatment (T=1200 degrees C, 10 h, Ar atmosphere) allowed preparation of single-phase and homogeneous compounds. The complete characterization of the samples by the means of X-Ray powder diffraction, electron probe micro-analyses, and {mu}-Raman spectrometry did not reveal either the presence of minor phases or the partial oxidation of uranium(IV) into uranyl. This study also evidenced the formation of a complete Ca{sub 0.5}Th{sub 0.5-y}U{sub y}PO{sub 4} solid solution with the associated linear decrease of a, b, and c unit cell parameters and beta increase versus the uranium mole loading. Even if the samples were found to be single phase, the significant improvement of the cation distribution in the materials was reached by the mean of the repetition of grinding/heating cycles. The same solid-state process was applied with success to the preparation of homogeneous and single-phase (Th,U)-monazite/brabantite solid solutions with general formula Ln{sub 1-2x}Ca{sub x}Th{sub x-y}U{sub y}PO{sub 4} (with 0.1 {<=} x {<=} 0.4 and y=x/5). (authors)

  8. Growth, Nitrogen Vacancy Reduction and Solid Solution Formation in Cubic GaN Thin Films and the Subsequent Fabrication of Superlattice Structures Using AIN and InN

    Science.gov (United States)

    1992-02-01

    n majmiy of t studies have Ween conduted on pu. gallium nitrid thin films having the wutzite scur, and this emphasis contu.s to we pnt day. Recent...adherence and thermal contact The s-bsuates underwent an initial low temperature (=701C) outgasing in the load lock followed by slow heating in the...SEM. Several samples became p-type, as confirmed by the I-V and thermal probe measurements. Figure 2 shows the change in the I-V curves obtained from

  9. Ce1-xLaxOy solid solution prepared from mixed rare earth chloride for soot oxidation

    Institute of Scientific and Technical Information of China (English)

    韩雪; 王亚飞; 郝红蕊; 郭荣贵; 胡运生; 蒋文全

    2016-01-01

    Ce1–xLaxOy solid solution was simply prepared using mixed rare earth chloride (RECl3·xH2O, RE=Ce, La>99%, containing unseparated Ce and La from rare earth metallurgical industry) as precursor by ultrasonic-assisted co-precipitation method with differ-ent ultrasonic frequencies (CLf,f=200, 400, 600, 800, 1000 Hz). A compared Ce1–xLaxOy solid solution (CL*) was also prepared by the same mothod with 10% less precipitant. X-ray diffraction results confirmed the formation of Ce1–xLaxOy solid solution, and the crystal structures of these catalysts were not very sensitive to ultrasonic frequency and precipitant amount. However, both of the fac-tors had obvious effect on morphology and surface area of CL, and precipitant amount seem to play a more crucial role than ultra-sonic frequency for Ce1–xLaxOy solid solution preparation. When soot and catalyst were tight contacted, the peak temperature (Tpeak) of soot oxidation and oxygen reducing temperature for CLf catalysts decreased linearly with increasing surface area. Under loose contact condition, theTpeak had obvious negative correlation with H2 consumption. It was inferred that good reducibility of the Ce1–xLaxOy solid solution favored the soot oxidation reaction. The Ce1–xLaxOy solid solution prepared from unseparated rare earth chloride showed a good soot oxidaiton activity. Controlling the preparation conditions to prepare a CL catalyst would high surface area will enhance its reducibility and activity.

  10. 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.

  11. 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)

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

    Energy Technology Data Exchange (ETDEWEB)

    Ashrafi, F.; Attaran, A. M. [Payame Noor University, Sari (Iran, Islamic Republic of); Kermani, N. Memar [Islamic Azad University, Tehran (Iran, Islamic Republic of)

    2008-04-15

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

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

    Directory of Open Access Journals (Sweden)

    Skulski Ryszard

    2015-09-01

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

  14. 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

  15. 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...

  16. Temperature behavior of thermal expansion and birefringence of In x Tl1- x I-substitution solid solutions

    Science.gov (United States)

    Franiv, A. V.; Stadnyk, V. Y.; Kashuba, A. I.; Brezvin, R. S.; Bovgira, O. V.; Futei, A. V.

    2017-07-01

    Results of studying the optical properties of In x Tl1- x I solid solutions in the concentration domain of 0.4 ≤ x ≤ 0.9 are presented. The dependence of relative linear expansion of In x Tl1- x I crystals ( T = 300-520 K) has been obtained. In x Tl1- x I crystals ( T = 300-520 K). Based on this, the temperature dependence of thermal-expansion coefficient α has been found. Dependence of birefringence Δ n i on temperature and concentration of the TlI component in the solid solution has been studied.

  17. Supersaturated solid solution obtained by mechanical alloying of 75% Fe, 20% Ge and 5% Nb mixture at different milling intensities

    Energy Technology Data Exchange (ETDEWEB)

    Blazquez, J.S.; Ipus, J.J.; Millan, M.; Franco, V. [Departamento de Fisica de la Materia Condensada, ICMSE-CSIC, Universidad de Sevilla, P.O. Box 1065, Apartado 1065, 41080 Sevilla (Spain); Conde, A. [Departamento de Fisica de la Materia Condensada, ICMSE-CSIC, Universidad de Sevilla, P.O. Box 1065, Apartado 1065, 41080 Sevilla (Spain)], E-mail: conde@us.es; Oleszak, D.; Kulik, T. [Faculty of Materials Science and Engineering, Warsaw University of Technology, ul. Woloska 141, 02-507 Warsaw (Poland)

    2009-02-05

    Mechanical alloying process of Fe{sub 75}Ge{sub 20}Nb{sub 5} composition has been studied at different milling frequencies from initial pure powder mixture to the development of a single bcc phase (supersaturated solid solution). As an intermediate state, an intermetallic phase is formed, which disappears after further milling or after thermal treatment (ascribed to an endothermic process at 700-800 K). A preferential partition of Nb and Ge to the boundaries between nanocrystals of bcc Fe-Ge-Nb supersaturated solid solution is observed from X-ray diffraction (XRD) and Moessbauer results.

  18. Comparison of visible and near-infrared Raman cross-sections of explosives in solution and in the solid state.

    Science.gov (United States)

    Emmons, Erik D; Guicheteau, Jason A; Fountain, Augustus W; Christesen, Steven D

    2012-06-01

    Raman cross-sections of explosives in solution and in the solid state have been measured using visible and near-infrared excitation via secondary calibration. These measurements are valuable for both fundamental scientific purposes and applications in the standoff detection of explosives. The explosive compounds RDX, HMX, TNT, 2,4-DNT, 2,6-DNT, and ammonium nitrate were measured using discrete excitation wavelengths ranging from 532 nm to 785 nm. A comparison of the spectral features and cross-sections between the solid state and solution was performed. Comparison is also made to cross-sections measured with deep ultraviolet excitation.

  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. 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...... time of 122 h. This demonstrates that the high-energy ball milling technique is able to prepare metastable solid solutions with an extended range of compositions in ceramic/ceramic systems with a positive hear of mixing....

  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. Gastrointestinal behavior of itraconazole in humans - Part 1: Supersaturation from a solid dispersion and a cyclodextrin-based solution.

    Science.gov (United States)

    Brouwers, Joachim; Geboers, Sophie; Mols, Raf; Tack, Jan; Augustijns, Patrick

    2017-06-15

    This study evaluated the fasted state gastrointestinal behavior of the lipophilic drug itraconazole, orally administered to healthy volunteers as either a solid dispersion (Sporanox(®) capsules) or a cyclodextrin-based solution (Sporanox(®) solution). Following intake of the drug products, gastric and duodenal fluids were aspirated and analyzed for itraconazole concentration, total content and solubilizing capacity. Release of itraconazole from the solid dispersion generated high and metastable supersaturated levels in the stomach, but the dissolved fraction in the duodenum remained extremely low (median 2.5%). After intake of the itraconazole solution, precipitation was limited in the stomach but pronounced in the small intestine. Still, the dissolved fraction of itraconazole in the duodenum (median 38%) appeared much higher than after intake of the solid dispersion, possibly explaining the improved absorption of itraconazole from the solution. As for the solid dispersion, the absorption-enabling ability of the solution appeared mainly related to increased intraluminal concentrations by means of supersaturation. Cyclodextrin-based solubilization of itraconazole occurred only in the case of limited intraluminal dilution, but did not further enhance itraconazole absorption. The obtained data will help to understand critical aspects of supersaturating drug delivery systems and act as direct reference for the optimization of in vitro simulation tools for gastrointestinal drug behavior. Copyright © 2017 Elsevier B.V. All rights reserved.

  3. 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.

  4. Microstructure and thermal stability of corundum-type (Al{sub 0.5}Cr{sub 0.5}){sub 2}O{sub 3} solid solution coatings grown by cathodic arc evaporation

    Energy Technology Data Exchange (ETDEWEB)

    Edlmayr, V.; Pohler, M. [Department of Physical Metallurgy and Materials Testing, Montanuniversität Leoben, A-8700 Leoben (Austria); Letofsky-Papst, I. [Institute for Electron Microscopy, University of Technology Graz, Steyrergasse 17, A-8010 Graz (Austria); Mitterer, C., E-mail: christian.mitterer@unileoben.ac.at [Department of Physical Metallurgy and Materials Testing, Montanuniversität Leoben, A-8700 Leoben (Austria)

    2013-05-01

    Corundum-type (Al{sub x}Cr{sub 1−x}){sub 2}O{sub 3} coatings were grown by reactive cathodic arc evaporation in an oxygen atmosphere using AlCr targets with an Al/Cr atomic ratio of 1. Since the (Al{sub x}Cr{sub 1−x}){sub 2}O{sub 3} solid solution shows a miscibility gap below 1300 °C, where spinodal decomposition is predicted, the microstructural changes upon annealing were investigated by a combination of transmission electron microscopy, X-ray diffraction, Raman spectroscopy, and differential scanning calorimetry. The as-deposited coating consists primarily of the corundum-type (Al{sub x}Cr{sub 1−x}){sub 2}O{sub 3} solid solution, with smaller fractions of cubic (Al{sub x}Cr{sub 1−x}){sub 2}O{sub 3}. An additional Al-rich amorphous phase and a Cr-rich crystalline phase stem from the droplets incorporated. The corundum-type (Al{sub x}Cr{sub 1−x}){sub 2}O{sub 3} solid solution is still present after vacuum annealing at 1050 °C for 2 h, whereas the cubic (Al{sub x}Cr{sub 1−x}){sub 2}O{sub 3} phase has transformed to corundum-type (Al{sub x}Cr{sub 1−x}){sub 2}O{sub 3}. Cr and Cr{sub 2}O{sub 3} have been detected in the annealed coating, the latter most probably originating from the partial oxidation of Cr-rich droplets. Upon crystallization of the amorphous phase fractions present, γ-Al{sub 2}O{sub 3} is formed, which then transforms into α-Al{sub 2}O{sub 3}. No evidence for decomposition of the corundum-type (Al{sub x}Cr{sub 1−x}){sub 2}O{sub 3} solid solution could be found within the temperature range up to 1400 °C. - Highlights: ► (Al{sub 0.5}Cr{sub 0.5}){sub 2}O{sub 3} hard coatings grown by reactive cathodic evaporation ► Corundum and minor fraction of cubic (Al{sub x}Cr{sub 1−x}){sub 2}O{sub 3} in the as-deposited state ► No evidence for spinodal decomposition of corundum-type (Al{sub x}Cr{sub 1−x}){sub 2}O{sub 3} up to 1400 °C ► Cubic (Al{sub x}Cr{sub 1−x}){sub 2}O{sub 3} transforms into corundum-type (Al{sub x}Cr{sub 1

  5. Anisotropic cubic curvature couplings

    CERN Document Server

    Bailey, Quentin G

    2016-01-01

    To complement recent work on tests of spacetime symmetry in gravity, cubic curvature couplings are studied using an effective field theory description of spacetime-symmetry breaking. The associated mass dimension 8 coefficients for Lorentz violation studied do not result in any linearized gravity modifications and instead are revealed in the first nonlinear terms in an expansion of spacetime around a flat background. We consider effects on gravitational radiation through the energy loss of a binary system and we study two-body orbital perturbations using the post-Newtonian metric. Some effects depend on the internal structure of the source and test bodies, thereby breaking the Weak Equivalence Principle for self-gravitating bodies. These coefficients can be measured in solar-system tests, while binary-pulsar systems and short-range gravity tests are particularly sensitive.

  6. CRYOCHEM calculation: Minor components influence solid solutions in nitrogen-methane atmospheres - ethane on Titan and carbon monoxide on Pluto

    Science.gov (United States)

    Tan, S. P.; Kargel, J. S.; Adidharma, H.; Marion, G. M.

    2016-12-01

    In the extremely cold conditions on Triton, Pluto and other Kuiper Belt Objects, and Titan's tropopause and lower stratosphere, the atmospheres as a whole, not components individually, are subject to freeze into solid phases as solutions, notpure ices. This is in contrast to water ice in Earth's atmosphere, where the atmosphere stays in gaseous phase when water freezes into a solid phase of presumably pure water due to the much higher temperatures involved. A molecular-based thermodynamic model for cryogenic chemical systems, referred to as CRYOCHEM, has been developed to include the phase equilibria involving multi-component solid solutions. Calculations using CRYOCHEM, therefore, can provide us with compositions of solid solutions that are in equilibrium with the gaseous atmosphere. There is no longer a need to assume pure solids conventionally used in modeling, or even as binary (two-component) mixtures, which commonly consider only nitrogen and methane. Two examples will be discussed: (1) on Titan where ethane plays a significant role in precipitation of high-altitude solid aerosols; and (2) on Pluto where carbon monoxide may also play some important role in the sublimation/condensation cycle at the surface and shallow subsurface, e.g., zone of solid-state greenhouse heating. The presence of these third components essentially affects the solid-gas phase equilibria of nitrogen-methane binary system at their respective conditions on Titan and Pluto, the information of which is useful for future modeling, including those on other bodies in the outer Solar System and comets that share similar volatiles.

  7. On cubic equations over $P-$adic field

    CERN Document Server

    Mukhamedov, Farrukh; Saburov, Mansoor

    2012-01-01

    We provide a solvability criteria for a depressed cubic equation in domains $\\bz_p^{*},\\bz_p,\\bq_p$. We show that, in principal, the Cardano method is not always applicable for such equations. Moreover, the numbers of solutions of the depressed cubic equation in domains $\\bz_p^{*},\\bz_p,\\bq_p$ are provided. Since $\\bbf_p\\subset\\bq_p,$ we generalize J.-P. Serre's \\cite{JPSJ} and Z.H.Sun's \\cite{ZHS1,ZHS3} results concerning with depressed cubic equations over the finite field $\\bbf_p$. Finally, all depressed cubic equations, for which the Cardano method could be applied, are described and the $p-$adic Cardano formula is provided for those cubic equations.

  8. Piezoelectric and ferroelectric properties of lead-free (1-x)(Na1-yKy)(Nb1-zSbz)O3-xBaTiO3 solid solution

    Science.gov (United States)

    Sasikumar, S.; Saravanan, R.; Aravinth, K.

    2017-05-01

    The solid solutions of lead-free (1-x)(Na1-yKy)(Nb1-zSbz)O3-xBaTiO3 (with x=0.1, 0.2; y=0.03, 0.05; z=0.05, 0.1) (abbreviated as (1-x)NKNS-xBT) ceramics have been synthesized using conventional solid-state reaction method. The results of X-ray diffraction analysis show that all the grown specimens of NKNS display typical perovskite structure. With BaTiO3 (BT) addition, a structural phase transition from tetragonal to cubic structure has been observed. The structural parameters of (1-x)NKNS-xBT powders were determined by profile refinements based on the analysis of X-ray powder diffraction. The charge density distributions of the prepared samples have been investigated by observed structure factors to understand the chemical bonding nature of (1-x)NKNS-xBT powders. The optical absorption of the ceramics has been investigated using UV-visible spectrophotometer. Scanning electron microscopic (SEM) measurements were performed to study the surface morphology of the prepared solid solutions. The elemental compositions of the (1-x)NKNS-xBT samples were analyzed by energy-dispersive X-ray (EDS) spectrometer. The dielectric constant versus temperature plots of the solid solutions exhibit ferroelectric to paraelectric phase transition, which is dependent on the BaTiO3 content. The ferroelectric nature of the samples has been determined through polarization and electric field hysteresis measurements.

  9. 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

    2016-06-08

    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.

  10. Assessment of a modified and optimised method for determining chemical oxygen demand of solid substrates and solutions with high suspended solid content.

    Science.gov (United States)

    Raposo, F; de la Rubia, M A; Borja, R; Alaiz, M

    2008-07-15

    A modified approach to determine the chemical oxygen demand (COD) of solid substrates based on the DIN 38414-S9 standard method is proposed. The adapted procedure is assessed and compared with standard methods widely used for water and wastewater such as the American Public Health Association-American Water Works Association-Water Pollution Control Federation (APHA-AWWA-WPCF) standard methods 5220 B-open reflux (SM-OR) and 5220 D-closed reflux colorimetric (SM-CR). Solutions with high suspended concentration of solids, as well as digestates from an anaerobic reactor, were used during the comparative test. For solid substrates, the COD recovery was about 100% when the proposed method was used. For solutions with solid content higher than 20 g TS L(-1), the recovery was only completed when the proposed method was used, showing that the methods traditionally employed are not very appropriate for samples with the described characteristics. For instance, percentages of COD recovery in the ranges of 77.3-87.1% and 89.4-94.1% were achieved when the SM-OR and SM-CR methods were used, respectively.

  11. 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.

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

    Science.gov (United States)

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

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

  13. The activity of cobalt and silicon in the Co - Si system with special focus on the {alpha} - Co solid solution

    Energy Technology Data Exchange (ETDEWEB)

    Lexa, D.; Kematick, R.J.; Myers, C.E. [Binghamton Univ. - SUNY, NY (United States). Dept. of Chemistry and Institute for Materials Research

    1997-08-01

    The activities of cobalt and silicon at 1463 K have been determined across the whole composition range in the Co - Si system, including the {alpha} - Co solid solution, for which no activity data were previously available. Simple and reactive Knudsen effusion mass spectroscopy employed in this work were shown to successfully overcome problems normally encountered in studying high-temperature solid binary systems, such as slow equilibration and low partial pressures of the components. The composition dependence of the cobalt activities within the {alpha} - Co solid solution phase was used to calculate the self-interaction coefficients of silicon in {alpha} - Co: ln {gamma}{sub Si} = 10.4 {+-} 0.2 and {epsilon}{sub Si}{sup (Si)} = 18.6 {+-} 0.8. The regular solution model was shown to be a fairly good description of the {alpha} - Co solid solution, with an energy parameter Z{sub CoSi} of -120 {+-} 5 kJ{center_dot}mol{sup -1}. The results compare well with literature data on similar systems, such as Fe - Si and Ni - Si.

  14. 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).

  15. Strain effects in Nb3Al multifilamentary conductors prepared by phase transformation from bcc supersaturated-solid solution

    NARCIS (Netherlands)

    Takeuchi, T.; Iijima, Y.; Inoue, K.; Wada, H.; Haken, ten B.; Kate, ten H.H.J.; Fukuda, K.; Iwaki, G.; Sakai, S.; Moriai, H.

    1997-01-01

    Strain effects on critical current densities have been examined for conductors containing nearly stoichiometric Nb3Al filaments with fine grains. The Nb3Al phase in these multifilamentary conductors are prepared by phase transformation from supersaturated Nb(Al) bcc solid solution and show high-fiel

  16. 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.

  17. 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

  18. The solid solution Ba5.78Pb1.22F12Cl2

    Directory of Open Access Journals (Sweden)

    Matthias Weil

    2016-01-01

    Full Text Available The title compound, hexabarium lead(II dodecafluoride dichloride, is a solid solution in the system Pb7F12Cl2–Ba7F12Cl2 and crystallizes isotypically with the ordered modification of the parent compounds in the space group P-6. The coordination polyhedra of the three different metal sites are distorted tricapped trigonal prisms with F7Cl2 coordination sets for two of these sites (Wyckoff positions 3k and 3j, each with site symmetry m.., and the remaining site being exclusively coordinated by fluoride ions (1a, -6... By sharing faces, a three-dimensional structure is accomplished. The three metal sites have remarkably different occupancies by the two types of metal ions. Whereas the site on the 3k position shows only a minor incorporation of Pb2+ [occupancy ratio Ba:Pb = 0.93 (4:0.07 (4], the 3j site shows the highest amount of incorporated Pb2+ [Ba:Pb = 0.71 (5:29 (5]. The occupancy ratio with respect to the 1a site is Ba:Pb = 0.86 (5:0.14 (5.

  19. Carbon enters silica forming a cristobalite-type CO2-SiO2 solid solution

    Science.gov (United States)

    Santoro, Mario; Gorelli, Federico A.; Bini, Roberto; Salamat, Ashkan; Garbarino, Gaston; Levelut, Claire; Cambon, Olivier; Haines, Julien

    2014-04-01

    Extreme conditions permit unique materials to be synthesized and can significantly update our view of the periodic table. In the case of group IV elements, carbon was always considered to be distinct with respect to its heavier homologues in forming oxides. Here we report the synthesis of a crystalline CO2-SiO2 solid solution by reacting carbon dioxide and silica in a laser-heated diamond anvil cell (P=16-22 GPa, T>4,000 K), showing that carbon enters silica. Remarkably, this material is recovered to ambient conditions. X-ray diffraction shows that the crystal adopts a densely packed α-cristobalite structure (P41212) with carbon and silicon in fourfold coordination to oxygen at pressures where silica normally adopts a sixfold coordinated rutile-type stishovite structure. An average formula of C0.6(1)Si0.4(1)O2 is consistent with X-ray diffraction and Raman spectroscopy results. These findings may modify our view on oxide chemistry, which is of great interest for materials science, as well as Earth and planetary sciences.

  20. 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.

  1. 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.

  2. The investigation of phenol removal from aqueous solutions by zeolites as solid adsorbents.

    Science.gov (United States)

    Damjanović, Ljiljana; Rakić, Vesna; Rac, Vladislav; Stošić, Dušan; Auroux, Aline

    2010-12-15

    This work reports results on phenol adsorption from aqueous solutions on synthetic BEA (β) and MFI (ZSM-5) zeolites, studied by heat-flow microcalorimetry. For the sake of comparison, the adsorption was performed on activated carbon, a solid customarily used for removal of phenol from water. The obtained values of heats evolved during phenol adsorption indicate the heterogeneity of active sites present on the investigated systems for the adsorption of phenol. In addition, the amounts of adsorbed pollutant were determined and presented in the form of adsorption isotherms, which were interpreted using Langmuir, Freundlich, Dubinin-Astakov and Sips' equations. The latter was found to express high level of agreement with experimental data. The results obtained in this work reveal that the adsorption of phenol on zeolites depends on both Si/Al ratio and on the pore size. Hydrophobic zeolites that possess higher contents of Si show higher affinities for phenol adsorption. Among investigated zeolites, zeolite β possesses the highest capacity for adsorption of phenol. The possibility of regeneration of used adsorbents was investigated by thermal desorption technique. It has been shown that in the case of β zeolite the majority of adsorbed phenol is easily released in the low temperature region.

  3. Adsorption of Cr(VI) and Pb(II) from aqueous solution using agricultural solid waste.

    Science.gov (United States)

    Geetha, A; Sivakumar, P; Sujatha, M; Palanisamy, P N

    2009-04-01

    Areca nut shell, an agricultural solid waste by-product, has been studied for the removal of heavy metals Cr(VI) and Pb(II) from aqueous solution. Parameters, such as equilibrium time, effect of initial metal ion concentration, effect of pH on the removal, were analyzed. An initial pH of 4.0 was found most favourable for Cr(VI) removal and 5.0 for Pb(II) removal. Two theoretical isotherm models, namely Langmuir and Freundlich, were analyzed for the applicability of the experimental data. The Langmuir adsorption capacity (Q0) was calculated. The results of thermodynamic parameters suggest the exothermic nature of the adsorption. The desorption studies were carried out using dilute hydrochloric acid. Maximum desorption of 88% for Cr(VI) and 91% for Pb(II) were achieved. Areca nut shell waste, the low cost adsorbent is found to be effective in the removal of Cr(VI) and Pb(II) ions, and hence it can be applied for the removal of heavy metals from industrial wastewater.

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

    Science.gov (United States)

    Al-Ghouti, Mohammad A; Li, Juiki; Salamh, Yousef; Al-Laqtah, Nasir; Walker, Gavin; Ahmad, Mohammad N M

    2010-04-15

    A potential usefulness of raw date pits as an inexpensive solid adsorbent for methylene blue (MB), copper ion (Cu(2+)), and cadmium ion (Cd(2+)) 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, Cu(2+), and Cd(2+) 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 Cu(2+) and Cd(2+) 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, Cu(2+), and Cd(2+) 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 Cu(2+) and Cd(2+). For Cu(2+), binding two cellulose/lignin units together is the predominant mechanism. For Cd(2+), the predominant mechanism is by binding itself using two hydroxyl groups in the cellulose/lignin unit. 2009 Elsevier B.V. All rights reserved.

  5. Adsorption of phenol and reactive dye from aqueous solution on activated carbons derived from solid wastes.

    Science.gov (United States)

    Nakagawa, Kyuya; Namba, Akio; Mukai, Shin R; Tamon, Hajime; Ariyadejwanich, Pisit; Tanthapanichakoon, Wiwut

    2004-04-01

    Activated carbons were produced from several solid wastes, namely, waste PET, waste tires, refuse derived fuel and wastes generated during lactic acid fermentation from garbage. Activated carbons having various pore size distributions were obtained by the conventional steam-activation method and via the pre-treatment method (i.e., mixture of raw materials with a metal salt, carbonization and acid treatment prior to steam-activation) that was proposed by the authors. The liquid-phase adsorption characteristics of organic compounds from aqueous solution on the activated carbons were determined to confirm the applicability of these carbons, where phenol and a reactive dye, Black5, were employed as representative adsorbates. The hydrophobic surface of the carbons prepared was also confirmed by water vapor adsorption. The characteristics of a typical commercial activated carbon were also measured and compared. It was found that the activated carbons with plentiful mesopores prepared from PET and waste tires had quite high adsorption capacity for large molecules. Therefore they are useful for wastewater treatment, especially, for removal of bulky adsorbates.

  6. 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.

  7. Thermodynamic and kinetic destabilization of magnesium hydride using Mg-In solid solution alloys.

    Science.gov (United States)

    Zhou, Chengshang; Fang, Zhigang Zak; Lu, Jun; Zhang, Xiaoyi

    2013-07-31

    Efforts to thermodynamically destabilize magnesium hydride (MgH2), so that it can be used for practical hydrogen storage applications, have been a difficult challenge that has eluded scientists for decades. This letter reports that MgH2 can indeed be destabilized by forming solid solution alloys of magnesium with group III and IVB elements, such as indium. Results of this research showed that the equilibrium hydrogen pressure of a Mg-0.1In alloy is 70% higher than that of pure MgH2. The temperature at 1 bar hydrogen pressure (T1bar) of Mg-0.1In alloy was reduced to 262.9 °C from 278.9 °C, which is the T1bar of pure MgH2. Furthermore, the kinetic rates of dehydrogenation of Mg-0.1In alloy hydride doped with a titanium intermetallic (TiMn2) catalyst were also significantly improved compared with those of MgH2.

  8. Carbon enters silica forming a cristobalite-type CO2-SiO2 solid solution.

    Science.gov (United States)

    Santoro, Mario; Gorelli, Federico A; Bini, Roberto; Salamat, Ashkan; Garbarino, Gaston; Levelut, Claire; Cambon, Olivier; Haines, Julien

    2014-04-30

    Extreme conditions permit unique materials to be synthesized and can significantly update our view of the periodic table. In the case of group IV elements, carbon was always considered to be distinct with respect to its heavier homologues in forming oxides. Here we report the synthesis of a crystalline CO2-SiO2 solid solution by reacting carbon dioxide and silica in a laser-heated diamond anvil cell (P = 16-22 GPa, T>4,000 K), showing that carbon enters silica. Remarkably, this material is recovered to ambient conditions. X-ray diffraction shows that the crystal adopts a densely packed α-cristobalite structure (P4(1)2(1)2) with carbon and silicon in fourfold coordination to oxygen at pressures where silica normally adopts a sixfold coordinated rutile-type stishovite structure. An average formula of C0.6(1)Si0.4(1)O2 is consistent with X-ray diffraction and Raman spectroscopy results. These findings may modify our view on oxide chemistry, which is of great interest for materials science, as well as Earth and planetary sciences.

  9. Removal of Cl adsorbed on Mn-Ce-La solid solution catalysts during CVOC combustion.

    Science.gov (United States)

    Wang, Xingyi; Ran, Le; Dai, Yu; Lu, Yuanjiao; Dai, Qiguang

    2014-07-15

    Mn-Ce-La oxide-mixed catalysts prepared by the method of complexation followed by calcination at 750°C were tested in the catalytic combustion of chlorobenzene (CB) taken as a model of chlorinated aromatics. XRD analyses show that Mn and La enter CeO2 matrix with a fluorite-like structure to form solid solution. The catalysts with high ratio of Mn/Mn+Ce+La exhibit high activity for CB combustion, due to high oxygen mobility. For all Mn-Ce-La catalysts, deactivation due to Cl adsorption is observed at different temperatures, depending on composition. At 330°C or higher temperature, the removal of Cl species from the surface in the forms of Cl2 (produced through Deacon reaction) and HCl (produced through hydrolysis of Cl) occurs and the activity of catalysts for CB combustion becomes thus stable. Either the addition of water or the increase in gaseous oxygen concentration can promote the removal of Cl species, and thus to increase the activity for CB combustion. High stable activity of Mn-Ce-La catalysts can be related to the combination of good oxidation and Deacon reaction performances.

  10. 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.

  11. Coatable Li4 SnS4 Solid Electrolytes Prepared from Aqueous Solutions for All-Solid-State Lithium-Ion Batteries.

    Science.gov (United States)

    Choi, Young Eun; Park, Kern Ho; Kim, Dong Hyeon; Oh, Dae Yang; Kwak, Hi Ram; Lee, Young-Gi; Jung, Yoon Seok

    2017-06-22

    Bulk-type all-solid-state lithium-ion batteries (ASLBs) for large-scale energy-storage applications have emerged as a promising alternative to conventional lithium-ion batteries (LIBs) owing to their superior safety. However, the electrochemical performance of bulk-type ASLBs is critically limited by the low ionic conductivity of solid electrolytes (SEs) and poor ionic contact between the active materials and SEs. Herein, highly conductive (0.14 mS cm(-1) ) and dry-air-stable SEs (Li4 SnS4 ) are reported, which are prepared using a scalable aqueous-solution process. An active material (LiCoO2 ) coated by solidified Li4 SnS4 from aqueous solutions results in a significant improvement in the electrochemical performance of ASLBs. Side-effects of the exposure of LiCoO2 to aqueous solutions are minimized by using predissolved Li4 SnS4 solution. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. 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.

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

    Institute of Scientific and Technical Information of China (English)

    LIN Yangzheng; LI Jiding; ZENG Chuyi; CHEN Cuixian

    2005-01-01

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

  14. 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.

  15. Stress Intensity of Antiplane Conjugate Cracks in Cubic Quasicrystal

    Institute of Scientific and Technical Information of China (English)

    ZHANG Lei

    2008-01-01

    Based on the theory of Muskhelishvili, the general solutions for stress and strain of conjugate cracks in cubic quasicrystal are obtained, with which the stress intensity factors of cubic quasicrystal at crack tips and the stress distribution functions of phonon and phason fields are given. The results show that though phason field is coupled with phonon field by constitutive equations, the stress intensity factors are not coupled with any other factors.

  16. Structural, dielectric, and ferroelectric properties of the (1-x)PbTiO₃-xBiAlO₃ solid solution.

    Science.gov (United States)

    Yu, Huichun; Ren, Wei; Ye, Zuo-Guang

    2010-10-01

    Ferroelectric ceramics derived from the solid solution of (1-x)PbTiO₃-xBiAlO₃ (x = 0, 0.05, 0.10, 0.15, and 0.18) have been synthesized by solid-state reactions. A pure perovskite phase is formed for 0 ≤ x ≤ 0.15. The tetragonality (c/a) of the solid solution decreases with the increasing amount of BiAlO₃. Scanning electron microscopic images reveal a microstructure with a fine grain size of less than 1 μm for the solid solution ceramics (x ≥ 0.05). Compared with pure PbTiOPbTiO₃ ceramics whose high conductivity and poor densification were harmful to their dielectric performance, the ceramics of (1-x)PbTiO₃-xBiAlO₃ are well-densified (with a relative density of up to 93%) and their dielectric and ferroelectric properties are significantly improved with the addition of BiAlO₃, exhibiting reduced dielectric losses, well-developed P-E hysteresis loops (for x = 0.05, 0.10, and 0.15) and a high remnant polarization (P(r)) of 64 μC/cm² (for x = 0.15).

  17. Phase Formation and Thermal Stability of fcc (Fluorite) Ce1−xTbxO2−δ Solid Solutions

    NARCIS (Netherlands)

    Vries, de K.J.; Meng, G-Y.

    1998-01-01

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

  18. Tuning of Photoluminescence by Cation Nanosegregation in the (CaMg)(x)(NaSc)(1-x)Si2O6 Solid Solution.

    Science.gov (United States)

    Xia, Zhiguo; Liu, Guokui; Wen, Jianguo; Mei, Zhigang; Balasubramanian, Mahalingam; Molokeev, Maxim S; Peng, Licong; Gu, Lin; Miller, Dean J; Liu, Quanlin; Poeppelmeier, Kenneth R

    2016-02-03

    Controlled photoluminescence tuning is important for the optimization and modification of phosphor materials. Herein we report an isostructural solid solution of (CaMg)x(NaSc)1-xSi2O6 (0 solid solution is energetically unstable. It is shown that nanosegregation allows predictive control of color rendering and therefore provides a new method of phosphor development.

  19. Structure and electrical properties in the K{sub 1/2}Bi{sub 1/2}TiO{sub 3}-K{sub 1/2}Bi{sub 1/2}ZrO{sub 3} solid solution (KBT-KBZ)

    Energy Technology Data Exchange (ETDEWEB)

    Bengagi, M. [Laboratoire de Science des Procedes Ceramiques et de Traitements de Surface (SPCTS), UMR 7315 CNRS, Universite de Limoges, Centre Europeen de la Ceramique, 12 rue Atlantis, 87068 Limoges Cedex (France); Laboratoire de Chimie Minerale Appliquee, Faculte des Sciences, Universite de Tunis El Manar, Campus Universitaire, 2092-El Manar Tunis (Tunisia); Morini, F.; Marchet, P. [Laboratoire de Science des Procedes Ceramiques et de Traitements de Surface (SPCTS), UMR 7315 CNRS, Universite de Limoges, Centre Europeen de la Ceramique, 12 rue Atlantis, 87068 Limoges Cedex (France); El Maaoui, M. [Laboratoire de Chimie Minerale Appliquee, Faculte des Sciences, Universite de Tunis El Manar, Campus Universitaire, 2092-El Manar Tunis (Tunisia)

    2012-10-15

    The present work is devoted to the study of the Zr{sup 4+}/Ti{sup 4} substitution in the K{sub 1/2}Bi{sub 1/2}Ti{sub (1-x)}Zr{sub x}O{sub 3} solid solution (x = 0.0 to x = 1.0), based upon the K{sub 1/2}Bi{sub 1/2}TiO{sub 3} (KBT) ferroelectric compound. The tetragonal distortion of KBT is suppressed by this substitution and leads to the cubic compound K{sub 1/2}Bi{sub 1/2}ZrO{sub 3} (KBZ). These results agree with the values of the ionic radii of the Zr{sup 4+} and Ti{sup 4} ions (r{sub Ti}{sup {sub 4} {sub +}} = 0.605 Aa and r{sub Zr}{sup {sub 4} {sub +}} = 0.72 Aa). Close to KBT (x {<=} 0.05), the symmetry remains tetragonal. For higher values of x, the ''a'' lattice parameter (cubic indexing) follows Vegard's law, thus confirming the formation of a solid solution. The transformation from tetragonal to cubic proceeds via an intermediate pseudocubic symmetry (0.1 {<=} x < 0.5), for which the X-ray diffraction peaks present small broadening and asymmetry. For x {>=} 0.5 and up to the KBZ compound (a {approx} 4.158 Aa), the samples are cubic but some extra peaks are also observed, indicating the occurrence of a secondary phase. The microstructure shows fine-grained ceramic samples for the first range, while for the KBZ-rich range the grains are micrometer-sized and associated to very small grains of the secondary phase. Piezoelectricity is observed for the tetragonal and pseudocubic range, the substitution quickly reducing the piezoelectric properties. The measurement of the dielectric properties revealed close to KBT a dielectric anomaly probably associated to the tetragonal-cubic phase transition. For the pseudocubic and cubic range, a broad dielectric anomaly is observed around 300 C, corresponding to a relaxor behavior. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  20. Characterization of interactions between soil solid phase and soil solution in the initial ecosystem development phase

    Science.gov (United States)

    Zimmermann, Claudia; Schaaf, Wolfgang

    2010-05-01

    In the initial phase of soil formation interactions between solid and liquid phases and processes like mineral weathering, formation of reactive surfaces and accumulation of organic matter play a decisive role in developing soil properties. As part of the Transregional Collaborative Research Centre (SFB/TRR 38) 'Patterns and processes of initial ecosystem development' in an artificial catchment, these interactions are studied at the catchment 'Chicken Creek' (Gerwin et al. 2009). To link the interactions between soil solid phase and soil solution at the micro-scale with observed processes at the catchment scale, microcosm experiments under controlled laboratory conditions were carried out. Main objectives were to determine the transformation processes of C and N from litter decomposition within the gaseous, liquid and solid phase, the interaction with mineral surfaces and its role for the establishment of biogeochemical cycles. The microcosm experiments were established in a climate chamber at constant 10 ° C. In total 48 soil columns (diameter: 14.4 cm; height: 30 cm) were filled with two different quaternary substrates (sand and loamy sand) representing the textural variation within the catchment at a bulk density of 1.4-1.5 g*cm-3. The columns were automatically irrigated four times a day with 6.6 ml each (corresponding to 600 mm*yr-1). The gaseous phase in the headspace of the microcosms was analysed continuously for CO2 and N2O contents. C and N transformation processes were studied using 13C and 15N labelled litter of two different plant species occurring at the catchment (Lotus corniculatus, Calamagrostis epigejos) that was incorporated into the microcosm surface. All treatments including a control ran with four replicates over a period of 40 weeks. Two additional microcosms act as pure litter controls where substrate was replaced by glass pearls. Litter and substrate were analysed before and after the experiment. Percolate was continuously collected and

  1. Nanocrystalline Fe{sub 1-x}Co{sub x}Sn{sub 2} solid solutions prepared by reduction of salts in tetraethylene glycol

    Energy Technology Data Exchange (ETDEWEB)

    Nwokeke, Uche G. [Laboratorio de Quimica Inorganica, Universidad de Cordoba, Edificio C3, Campus de Rabanales, 14071 Cordoba (Spain); Chadwick, Alan V. [Functional Materials Group, School of Physical Sciences, University of Kent, Canterbury, Kent CT2 7NH (United Kingdom); Alcantara, Ricardo [Laboratorio de Quimica Inorganica, Universidad de Cordoba, Edificio C3, Campus de Rabanales, 14071 Cordoba (Spain); Alfredsson, Maria [Functional Materials Group, School of Physical Sciences, University of Kent, Canterbury, Kent CT2 7NH (United Kingdom); Tirado, Jose L., E-mail: iq1ticoj@uco.es [Laboratorio de Quimica Inorganica, Universidad de Cordoba, Edificio C3, Campus de Rabanales, 14071 Cordoba (Spain)

    2011-02-10

    Research highlights: > New nanoparticulate materials in the ternary system Fe{sub 1-x}Co{sub x}Sn{sub 2} are reported. > The electrochemical behaviour of the intermediate nano-Fe{sub 1-x}Co{sub x}Sn{sub 2} compositions is better than the corresponding micro-CoSn{sub 2} and FeSn{sub 2}. > The samples that contain iron form Li{sub x}Sn phases during the discharge of the cell and exhibit capacities over 500 mAh g{sup -1} during the first 30 cycles. > The partial replacement of cobalt by iron could moderate the potential cost and toxicity of the materials in Li-ion batteries. - Abstract: In an effort to improve the electrochemical performance of tin intermetallic phases as electrode active material for lithium-ion batteries, Fe{sub 1-x}Co{sub x}Sn{sub 2} solid solutions with x = 0.0, 0.25, 0.3, 0.5, 0.6 and 0.8 were prepared by chemical reduction in tetraethylene glycol. Precise control of the synthesis conditions allowed single-phase nanocrystalline materials to be prepared, with particle diameters of about 20 nm and cubic, nanorods, and U-shaped morphologies. The substitution of iron by cobalt induced a contraction of the unit cell volume. The hyperfine parameters of the {sup 57}Fe Moessbauer spectra were sensitive to the Co/Fe substitution and revealed a superparamagnetic behaviour. In lithium cells nanocrystalline Fe{sub 1-x}Co{sub x}Sn{sub 2} active materials delivered reversible capacities above 500 mAh g{sup -1} that depended on the composition and cycling conditions. The intermediate compositions exhibit better electrochemical performance than the end compositions CoSn{sub 2} and FeSn{sub 2}.

  2. 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.

  3. 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.

  4. 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.

  5. Quantum statistical effects in the mass transport of interstitial solutes in a crystalline solid

    Science.gov (United States)

    Woo, C. H.; Wen, Haohua

    2017-09-01

    The impact of quantum statistics on the many-body dynamics of a crystalline solid at finite temperatures containing an interstitial solute atom (ISA) is investigated. The Mori-Zwanzig theory allows the many-body dynamics of the crystal to be formulated and solved analytically within a pseudo-one-particle approach using the Langevin equation with a quantum fluctuation-dissipation relation (FDR) based on the Debye model. At the same time, the many-body dynamics is also directly solved numerically via the molecular dynamics approach with a Langevin heat bath based on the quantum FDR. Both the analytical and numerical results consistently show that below the Debye temperature of the host lattice, quantum statistics significantly impacts the ISA transport properties, resulting in major departures from both the Arrhenius law of diffusion and the Einstein-Smoluchowski relation between the mobility and diffusivity. Indeed, we found that below one-third of the Debye temperature, effects of vibrations on the quantum mobility and diffusivity are both orders-of-magnitude larger and practically temperature independent. We have shown that both effects have their physical origin in the athermal lattice vibrations derived from the phonon ground state. The foregoing theory is tested in quantum molecular dynamics calculation of mobility and diffusivity of interstitial helium in bcc W. In this case, the Arrhenius law is only valid in a narrow range between ˜300 and ˜700 K. The diffusivity becomes temperature independent on the low-temperature side while increasing linearly with temperature on the high-temperature side.

  6. Lithium ion conductivity of A-site deficient perovskite solid solutions

    Energy Technology Data Exchange (ETDEWEB)

    Harada, Yasuhiro; Watanabe, Hiroyuki; Kuwano, Jun; Saito, Yasukazu [Science Univ. of Tokyo (Japan). Faculty of Engineering

    1999-09-01

    Over twenty of A-site deficient perovskite solid solution with Li{sup +} ion conductivity (Li-ADPESSs) were prepared with the M and Li concentration fixed at M{sub 0.56}Li{sub 0.33}TiO{sub 3} in the five series: (A) (La{sub 1-X}Nd{sub X}){sub 0.56}Li{sub 0.33}TiO{sub 3}, (B) La{sub 0.56}Li{sub 0.33}M(IV){sub X}Ti{sub 1-X}O{sub 3}[M(IV)=Zr,Hf], (C) (Ca{sub 1-X}Sr{sub X}){sub 0.56}Li{sub 0.33}Ta{sub 0.56}Ti{sub 0.44}O{sub 3}, (D) (Ca{sub 1-X}Sr{sub X}){sub 0.56}Li{sub 0.33}Fe{sub 0.225}Ta{sub 0.775}O{sub 3}, (E) Sr{sub 0.56}Li{sub 0.33}M(vertical stroke vertical stroke vertical stroke){sub 0.225}Ta{sub 0.775}O{sub 3}[M(vertical stroke vertical stroke vertical stroke)=Cr,Fe,Co,Ga,Y]. Except for the few, the quenched samples were the {alpha}-form with disordered arrangement of the A-site ions. The relation between bulk conductivity ({sigma}{sub b}) and the cube root (V{sup 1/3}) of the perovskite cell volume showed a maximum at V{sup 1/3}{approx}387 pm for the series A, B and at V{sup 1/3}{approx}395 pm for the series C-E, respectively. The perovskite framework containing less covalent, large cations calls for a large optimal cell volume for fast conduction. (orig.)

  7. Thermoelastic properties of grossular–andradite solid solution at high pressures and temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Fan, Dawei; Kuang, Yunqian; Xu, Jingui; Li, Bo; Zhou, Wenge; Xie, Hongsen

    2016-09-21

    The pressure–volume–temperature (P–V–T) equation of state (EoS) of synthetic grossular (Grs)–andradite (And) solid-solution garnet sample have been measured at high temperature up to 900 K and high pressures up to 22.75 GPa for Grs50And50, by using in situ angle-dispersive X-ray diffraction and diamond anvil cell. Analysis of room-temperature P–V data to a third-order Birch–Murnaghan (BM) EoS yields: V0 = 1706.8 ± 0.2 Å3, K0 = 164 ± 2 GPa and K'0 = 4.7 ± 0.5. Fitting of our P–V–T data by means of the high-temperature third-order BM EoS gives the thermoelastic parameters: V0 = 1706.9 ± 0.2 Å3, K0 = 164 ± 2 GPa, K'0 = 4.7 ± 0.2, (∂K/∂T)P = -0.018 ± 0.002 GPa K-1, and α0 = (2.94 ± 0.07) × 10-5 K-1. The results also confirm that grossular content increases the bulk modulus of the Grs-And join following a nearly ideal mixing model. The relation between bulk modulus and Grs mole fraction (XGrs) in this garnet join is derived to be K0 (GPa) = (163.7 ± 0.7) + (0.14 ± 0.02) XGrs (R2 = 0.985). Present results are also compared to previously studies determined the thermoelastic properties of Grs-And garnets.

  8. Thermoelastic properties of grossular-andradite solid solution at high pressures and temperatures

    Science.gov (United States)

    Fan, Dawei; Kuang, Yunqian; Xu, Jingui; Li, Bo; Zhou, Wenge; Xie, Hongsen

    2017-02-01

    The pressure-volume-temperature ( P- V- T) equation of state (EoS) of synthetic grossular (Grs)-andradite (And) solid-solution garnet sample have been measured at high temperature up to 900 K and high pressures up to 22.75 GPa for Grs50And50, by using in situ angle-dispersive X-ray diffraction and diamond anvil cell. Analysis of room-temperature P- V data to a third-order Birch-Murnaghan (BM) EoS yields: V 0 = 1706.8 ± 0.2 Å3, K 0 = 164 ± 2 GPa and K' 0 = 4.7 ± 0.5. Fitting of our P- V- T data by means of the high-temperature third-order BM EoS gives the thermoelastic parameters: V 0 = 1706.9 ± 0.2 Å3, K 0 = 164 ± 2 GPa, K' 0 = 4.7 ± 0.2, (∂K/∂T) P = -0.018 ± 0.002 GPa K-1, and α 0 = (2.94 ± 0.07) × 10-5 K-1. The results also confirm that grossular content increases the bulk modulus of the Grs-And join following a nearly ideal mixing model. The relation between bulk modulus and Grs mole fraction ( X Grs) in this garnet join is derived to be K 0 (GPa) = (163.7 ± 0.7) + (0.14 ± 0.02) X Grs ( R 2 = 0.985). Present results are also compared to previously studies determined the thermoelastic properties of Grs-And garnets.

  9. 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.

  10. Black holes in Einsteinian cubic gravity

    CERN Document Server

    Hennigar, Robie A

    2016-01-01

    Using numerical and perturbative methods, we construct the first examples of black hole solutions in Einsteinian cubic gravity and study their thermodynamics. Focusing first on four dimensional solutions, we show that these black holes have a novel equation of state in which the pressure is a quadratic function of the temperature. Despite this, they undergo a first order phase transition with associated van der Waals behaviour. We then construct perturbative solutions for general $D \\ge 5$ and study the properties of these solutions for $D=5$ and $D=6$ in particular. We find novel examples of zeroth order phase transitions and find super-entropic behaviour over a large portion of the parameter space. We analyse the specific heat, determining that the black holes are thermodynamically stable over large regions of parameter space.

  11. Synthesis of nano-scale fast ion conducting cubic Li7La3Zr2O12

    Science.gov (United States)

    Sakamoto, Jeff; Rangasamy, Ezhiylmurugan; Kim, Hyunjoung; Kim, Yunsung; Wolfenstine, Jeff

    2013-10-01

    A solution-based process was investigated for synthesizing cubic Li7La3Zr2O12 (LLZO), which is known to exhibit the unprecedented combination of fast ionic conductivity, and stability in air and against Li. Sol-gel chemistry was developed to prepare solid metal-oxide networks consisting of 10 nm cross-links that formed the cubic LLZO phase at 600 ° C. Sol-gel LLZO powders were sintered into 96% dense pellets using an induction hot press that applied pressure while heating. After sintering, the average LLZO grain size was 260 nm, which is 13 times smaller compared to LLZO prepared using a solid-state technique. The total ionic conductivity was 0.4 mS cm-1 at 298 K, which is the same as solid-state synthesized LLZO. Interestingly, despite the same room temperature conductivity, the sol-gel LLZO total activation energy is 0.41 eV, which 1.6 times higher than that observed in solid-state LLZO (0.26 eV). We believe the nano-scale grain boundaries give rise to unique transport phenomena that are more sensitive to temperature when compared to the conventional solid-state LLZO.

  12. A Cubic Tree Taper Model

    National Research Council Canada - National Science Library

    Goodwin, Adrian N

    2009-01-01

    A flexible tree taper model based on a cubic polynomial is described. It is algebraically invertible and integrable, and can be constrained by one or two diameters, neither of which need be diameter at breast height (DBH...

  13. Synthesis of Ba3ZnNb2O9–Sr3ZnNb2O9 solid solution and their dielectric properties

    Indian Academy of Sciences (India)

    M Thirumal; A K Ganguli

    2002-08-01

    Oxides of the type, Ba3–SrZnNb2O9 (0 ≤ ≤ 3), were synthesized by the solid state route. Oxides calcined at 1000°C show single cubic phase for all the compositions. The cubic lattice parameter (a) decreases with increase in Sr concentration from 4.0938(2) for = 0 to 4.0067(2) for = 3. Scanning electron micrographs show maximum grain size for the = 1 composition (∼ 2 m) at 1200°C. Disks sintered at 1200°C show dielectric constant variation between 28 and 40 (at 500 kHz) for different values of with the maximum dielectric constant at = 1.

  14. (CdTe)0.05(ZnSe)0.95 solid solution application in carbon monoxide diagnostics

    Science.gov (United States)

    Podgornyi, S. O.; Podgornaya, O. T.; Demeshko, I. P.; Lukoyanova, O. V.; Muromtsev, I. V.

    2017-08-01

    The research centered on (CdTe)0.05(ZnSe)0.95 solid solutions. The article is aimed at developing innovative primary transducer material for semi-conductor sensors, investigating their surface physicochemical properties and evaluation their applicability in carbon monoxide diagnostics. Powders and nanofilms of (CdTe)0.05(ZnSe)0.95 solid solutions were obtained by isothermal diffusion and discrete thermal evaporation in vacuum. (CdTe)0.05(ZnSe)0.95 applicability in gas analysis was investigated. Adsorption properties of the given material for carbon oxide (II) were studied by the piezoquartz microweighing, volumetrically and IR spectroscopy of multiple disturbed complete internal reflections. The principles of adsorption, depending on the process conditions, were established. Based on the obtained experimental data, CO micro-impurities sensors were developed, the laboratory tests passed successfully.

  15. Phase equilibria diagrams, crystal growth peculiarities and Raman investigations of lead and sodium-bismuth tungstate-molybdate solid solutions

    Science.gov (United States)

    Lebedev, Andrei V.; Avanesov, Samvel A.; Yunalan, Tyliay M.; Klimenko, Valeriy A.; Ignatyev, Boris V.; Isaev, Vladislav A.

    2016-02-01

    In this paper a comprehensive study of lead and sodium-bismuth tungstate-molybdate solid solutions was carried out, including the clarification of their structural peculiarities and phase diagrams of PbMoO4-PbWO4 and NaBi(MoO4)2-NaBi(WO4)2 systems, the study of spontaneous Raman spectra of these compounds, as well as preliminary experiments on single crystals growth of lead tungstate-molybdate. The linewidths, peak and integral intensities of the totally symmetric Raman vibrations of solid solutions were estimated in comparison with known SRS-active crystals. The conditions of the Czochralski growth of optically transparent lead tungstate-molybdate mixed crystals were found and SRS effect was observed in these crystals when pumping by 12 ns 1064 nm laser pulses.

  16. 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.

  17. Efficient Syntheses of 1,2,3-Triazoloamide Derivatives Using Solid- and Solution-Phase Synthetic Approaches

    Directory of Open Access Journals (Sweden)

    Doohyun Lee

    2015-11-01

    Full Text Available Efficient synthetic routes for the preparation of secondary and tertiary 1,2,3-triazoloamide derivatives were developed. A secondary α-1,2,3-triazoloamide library was constructed and expanded by a previously developed solid-phase synthetic route and a tertiary 1,2,3-triazoloamide library was constructed by a parallel solution-phase synthetic route. The synthetic routes rely on amide formation with secondary amines and chloro-acid chlorides; SN2 reaction with sodium azide; and the selective [3 + 2] Hüisgen cycloaddition with appropriate terminal alkynes. The target secondary and tertiary 1,2,3-triazoloamide derivatives were obtained with three-diversity points in excellent overall yields and purities using the reported solid- and solution-phase synthetic routes, respectively.

  18. Growth and structural investigations of La1-xPrxCaO3 solid solution single crystals

    NARCIS (Netherlands)

    Berkowski, M; Fink-Finowicki, J; Byszewski, P; Diduszko, R; Kowalska, E; Aleksiyko, R; Piekarczyk, W; Vasylechko, LO; Savytskij, DI; Perchuc, L

    Growth of single crystals in the pseudobinary LaGaO3-PrGaO3 system by the Czochralski and floating-zone methods was investigated. It has been found that solid solution crystals La1-xPrxGaO3 exist in the whole concentration range x, The segregation coefficients of Pr in LaGaO3 and La in PrGaO3 have

  19. 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.

  20. Growth and structural investigations of La1-xPrxCaO3 solid solution single crystals

    NARCIS (Netherlands)

    Berkowski, M; Fink-Finowicki, J; Byszewski, P; Diduszko, R; Kowalska, E; Aleksiyko, R; Piekarczyk, W; Vasylechko, LO; Savytskij, DI; Perchuc, L

    2001-01-01

    Growth of single crystals in the pseudobinary LaGaO3-PrGaO3 system by the Czochralski and floating-zone methods was investigated. It has been found that solid solution crystals La1-xPrxGaO3 exist in the whole concentration range x, The segregation coefficients of Pr in LaGaO3 and La in PrGaO3 have b

  1. Microwave dielectric properties of Na(x)Nd((2-x)/3)TiO(3) solid solutions.

    Science.gov (United States)

    Kagomiya, Isao; Yamada, Yuko; Kakimoto, Ken-ichi; Ohsato, Hitoshi

    2008-12-01

    Na(x)Nd((2-x)/3)TiO(3) solid solutions possess tetragonal or orthorhombic perovskite structure, where the A-sites are characterized by 2 kinds of cations (Na(+), Nd(3+)) and vacancies. We have measured microwave dielectric properties of Na(x)Nd((2-x)/3)TiO(3) solid solutions (x = 0.05 to 0.5) to investigate an effect of the compositional ordering in the A-sites of the perovskite structure. According to powder x-ray diffraction, the A-site is disordered in the composition range of x = 0.29 to 0.5. A compositional ordering (Na(+), vacancy / Nd(3+)) in A-sites appeared when x = 0.05 to 0.2. The quality factor (Q x f), where Q is the inverse of dielectric loss and f is frequency, was found to be slightly improved with decreasing Na content in the range of x = 0.05 to 0.2, suggesting that the Q x f of the Na(x)Nd((2-x)/3)TiO(3) solid solutions depends on the compositional ordering in A-sites.

  2. Crystal-chemistry insight into the photocatalytic activity of BiOCl x Br1- x nanoplate solid solutions

    Science.gov (United States)

    Xu, Huan-Yan; Han, Xu; Tan, Qu; Wu, Ke-Jia; Qi, Shu-Yan

    2017-06-01

    In this study, a facile alcoholysis method was developed to synthesize BiOCl x Br1- x nanoplates at room temperature and atmospheric pressure. In this route, strong acid or alkaline environment was absolutely avoided to realize the high exposure of {001} crystal facets. The regular changes in XRD peaks and cell parameters as a function of the Br content strongly declared that the obtained BiOCl x Br1- x products belonged to a group of solid solutions. The 2D nanosheets with in-plane wrinkles were clearly observed in TEM images. Interestingly, as the Br content increased, band gaps of BiOCl x Br1- x solid solutions gradually decreased. The photocatalytic degradation of RhB under simulated sunlight irradiation indicated that BiOCl0.5Br0.5 had the best photocatalytic activity. From the viewpoint of crystal chemistry, the photocatalytic activity of BiOCl x Br1- x solid solutions was closely related with the exposure amount of {001} facets, interlayer spacing of (001) plane and energy-level position of valence band.

  3. The role of hematite ilmenite solid solution in the production of magnetic anomalies in ground- and satellite-based data

    Science.gov (United States)

    Kletetschka, Gunther; Wasilewski, Peter J.; Taylor, Patrick T.

    2002-03-01

    Remanent magnetization (RM) of rocks with hematite-ilmenite solid solution (HISS) minerals, at all crustal levels, may be an important contribution to magnetic anomalies measured by ground and satellite altitude surveys. The possibility that lower thermal gradient relatively deep in the crust can result in exsolution of HISS compositions with strong remanent magnetizations (RM) was studied for two bulk compositions within the HISS system. Samples from granulite-terrane around Wilson Lake, Labrador, Canada contains titanohematite with exsolved ferrian ilmenite lamellae. Other samples from the anorthosite-terrane of Allard Lake, Quebec, Canada contain ferrian ilmenite with exsolved titanohematite lamellae. In both cases, the final exsolved titanohematite has similar Ti content and carries dominant magnetic remanence with REM (=NRM/SIRM, where NRM is the natural remanent magnetization and SIRM is the saturation isothermal remanent magnetization) that is comparable to the Ti-free end member. The RM was acquired prior to exsolution and the ilmeno-hematite-rich rock possesses thermal remanent magnetization (TRM), whereas rocks with hemo-ilmenite possess chemical remanent magnetization (CRM). In both cases, we found fairly large homogeneous grains with low demagnetizing energy that acquired intense RM. The magnetism of the ilmeno-hematite solid solution phases is not significantly perturbed by the continuous reaction: ilmeno-hematite≧titanohematite solid solution. Hence, the occurrence of HISS in rocks that cooled slowly in a low intensity magnetic field will have an intense magnetic signature characterized by a large REM.

  4. Impact of Mg2+ ion incorporation on the phase development of ZrO2-type solid solutions and their application in the catalytic oxidation of carbon monoxide

    Science.gov (United States)

    Nemec, Vinko; Kaper, Helena; Pétaud, Guillaume; Ivanda, Mile; Štefanić, Goran

    2017-07-01

    The precursors of ZrO2-MgO system covering the whole concentration range were prepared by co-precipitation of the corresponding nitrate salts. The obtained precursors were calcined in air at different temperatures up to 1000 °C and analyzed at room temperature using X-ray powder diffraction (XRD), Raman spectroscopy, field emission scanning electron microscopy (FESM) and energy dispersive X-ray spectrometry (EDS). Maximum solubility of Mg2+ ions (∼32 mol%) was obtained in the amorphous precursor. After crystallization at 600 °C the solid solubility of Mg2+ ions decreases to ∼26 mol% of which ∼22 mol% was incorporated inside ZrO2-type lattice while the remaining part of Mg2+ ions was adsorbed on the surface of the particles. Further thermal treatment decreases solubility of Mg2+ ions to 18 mol% (800 °C) and finally to 9 mol% (1000 °C). On the other side of the concentration range, the solubility of Zr4+ ions in MgO lattice was 10 mol%) polymorphs. A precise determination of unit-cell parameters shows that the increase in the Mg2+ content causes a decrease in the parameter c of tetragonal ZrO2 lattice, which in a solid solution with a Mg2+ content ≥10 mol% becomes very close to the lattice parameter a (approaching cubic lattice). The results of FE-SEM analysis show that the addition of Mg2+ ions promotes sintering of samples. The influence of thermal treatment on the crystallization of the amorphous precursors to ZrO2-type lattice was examined by differential thermal analysis and thermogravimetric measurement. The obtained results show that the crystallization temperature increases with increasing Mg content, from 445 °C (0 mol% MgO) to 625 °C (∼50 mol% MgO). The ZrO2 doped with 3 mol% MgO was used as catalyst support for platinum nanoparticles and compared to commercially available 3% yttria-doped stabilized zirconia (3YSZ). The catalysts were used for catalytic CO oxidation and show slightly better performance of the ZrO2-MgO system, which

  5. 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.

  6. Computational modeling of chemical reactions and interstitial growth and remodeling involving charged solutes and solid-bound molecules.

    Science.gov (United States)

    Ateshian, Gerard A; Nims, Robert J; Maas, Steve; Weiss, Jeffrey A

    2014-10-01

    Mechanobiological processes are rooted in mechanics and chemistry, and such processes may be modeled in a framework that couples their governing equations starting from fundamental principles. In many biological applications, the reactants and products of chemical reactions may be electrically charged, and these charge effects may produce driving forces and constraints that significantly influence outcomes. In this study, a novel formulation and computational implementation are presented for modeling chemical reactions in biological tissues that involve charged solutes and solid-bound molecules within a deformable porous hydrated solid matrix, coupling mechanics with chemistry while accounting for electric charges. The deposition or removal of solid-bound molecules contributes to the growth and remodeling of the solid matrix; in particular, volumetric growth may be driven by Donnan osmotic swelling, resulting from charged molecular species fixed to the solid matrix. This formulation incorporates the state of strain as a state variable in the production rate of chemical reactions, explicitly tying chemistry with mechanics for the purpose of modeling mechanobiology. To achieve these objectives, this treatment identifies the specific theoretical and computational challenges faced in modeling complex systems of interacting neutral and charged constituents while accommodating any number of simultaneous reactions where reactants and products may be modeled explicitly or implicitly. Several finite element verification problems are shown to agree with closed-form analytical solutions. An illustrative tissue engineering analysis demonstrates tissue growth and swelling resulting from the deposition of chondroitin sulfate, a charged solid-bound molecular species. This implementation is released in the open-source program FEBio ( www.febio.org ). The availability of this framework may be particularly beneficial to optimizing tissue engineering culture systems by examining the

  7. 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

    2015-11-02

    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.

  8. 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

  9. Synthesis of New Solid Solutions on Neodymium-stabilized La2Mo2O9

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    A new ionic conductor La2-xNdxMo2O9 (x=0.0-2.0) has been synthesized by wet- chemistry method. The precursors and the resultant oxide powders were characterized by DTA/TG, DSC, XRD and XPS techniques. Effect of substituting Nd for La reveals that the phase transition which occurs in La2Mo2O9 around 565℃ disappears when x>0.2. And the maximum amount of Nd stabilized the high temperature phase of β-La2Mo2O9 from cubic to tetragonal is about x =1.6. The measurements of impedance spectroscopy indicate that the ionic conductivity becomes considerably higher in comparison to that of La2Mo2O9.

  10. 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

    2016-08-23

    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.

  11. Comparison of solid-state dipolar couplings and solution relaxation data provides insight into protein backbone dynamics.

    Science.gov (United States)

    Chevelkov, Veniamin; Xue, Yi; Linser, Rasmus; Skrynnikov, Nikolai R; Reif, Bernd

    2010-04-14

    Analyses of solution (15)N relaxation data and solid-state (1)H(N)-(15)N dipolar couplings from a small globular protein, alpha-spectrin SH3 domain, produce a surprisingly similar pattern of order parameters. This result suggests that there is little or no ns-mus dynamics throughout most of the sequence and, in particular, in the structured portion of the backbone. At the same time, evidence of ns-mus motions is found in the flexible loops and termini. These findings, corroborated by the MD simulations of alpha-spectrin SH3 in a hydrated crystalline environment and in solution, are consistent with the picture of protein dynamics that has recently emerged from the solution studies employing residual dipolar couplings.

  12. Clean Grain Boundary Found in C14/Body-Center-Cubic Multi-Phase Metal Hydride Alloys

    Directory of Open Access Journals (Sweden)

    Hao-Ting Shen

    2016-06-01

    Full Text Available The grain boundaries of three Laves phase-related body-center-cubic (bcc solid-solution, metal hydride (MH alloys with different phase abundances were closely examined by scanning electron microscopy (SEM, transmission electron microscopy (TEM, and more importantly, electron backscatter diffraction (EBSD techniques. By using EBSD, we were able to identify the alignment of the crystallographic orientations of the three major phases in the alloys (C14, bcc, and B2 structures. This finding confirms the presence of crystallographically sharp interfaces between neighboring phases, which is a basic assumption for synergetic effects in a multi-phase MH system.

  13. Quadratic and Cubic Nonlinear Oscillators with Damping and Their Applications

    Science.gov (United States)

    Li, Jibin; Feng, Zhaosheng

    We apply the qualitative theory of dynamical systems to study exact solutions and the dynamics of quadratic and cubic nonlinear oscillators with damping. Under certain parametric conditions, we also consider the van der Waals normal form, Chaffee-Infante equation, compound Burgers-KdV equation and Burgers-KdV equation for explicit representations of kink-profile wave solutions and unbounded traveling wave solutions.

  14. 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.

  15. 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.

  16. Universal Reconfiguration of (Hyper-)cubic Robots

    OpenAIRE

    Abel, Zachary; Kominers, Scott D.

    2008-01-01

    We study a simple reconfigurable robot model which has not been previously examined: cubic robots comprised of three-dimensional cubic modules which can slide across each other and rotate about each others' edges. We demonstrate that the cubic robot model is universal, i.e., that an n-module cubic robot can reconfigure itself into any specified n-module configuration. Additionally, we provide an algorithm that efficiently plans and executes cubic robot motion. Our results directly extend to a...

  17. The Precise Inner Solutions of Gravity field Equations of Hollow and Solid Spheres and the Theorem of Singularity

    CERN Document Server

    Xiaochun, Mei

    2011-01-01

    In the present calculation of the inner solution of gravity field equation with spherical symmetry, in order to avoid the singularity appearing in the center of sphere, we actually let the integral constant to be zero. It is proved in this paper that the constant can not be zero. The metric of inner gravity field of hollow sphere is calculated at first. Then let the inner radius of hollow sphere become zero, we obtain the metric of inner gravity field of solid sphere. Based on the definition of energy momentum tensor of general relativity, the gravity masses of hollow and solid spheres in curved space are calculated strictly. The results indicate that no matter what the masses and densities of hollow sphere and solid sphere are, space-time singularities would appear in the centers of spheres. Meanwhile, no matter what the mass and density are, the intensity of pressure at the center point of solid sphere can not be infinite. That is to say, the material can not collapse towards the center of so-called black h...

  18. 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.

  19. 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.

  20. Structure and electronic properties and phase stabilities of the Cd(1-x)Zn(x)S solid solution in the range of 0≤x≤1.

    Science.gov (United States)

    Lu, Jibao; Dai, Ying; Guo, Meng; Wei, Wei; Ma, Yandong; Han, Shenghao; Huang, Baibiao

    2012-01-16

    As an excellent bandgap-engineering material, the Cd(1-x)Zn(x)S solid solution, is found to be an efficient visible light response photocatalyst for water splitting, but few theoretical studies have been performed on it. A better characterization of the composition dependence of the physical and optical properties of this material and a thorough understanding of the bandgap-variation mechanism are necessary to optimize the design of high-efficience photocatalysts. In order to get an insight into these problems, we systematically investigated the crystal structure, the phase stability, and the electronic structures of the Cd(1-x)Zn(x)S solid solution by means of density functional theory calculations. The most energetically favorable arrangement of the Cd, Zn, S atoms and the structural disorder of the solid solution are revealed. The phase diagram of the Cd(1-x)Zn(x)S solid solution is calculated based on regular-solution model and compared with the experimental data. This is the first report on the calculated phase diagram of this solid solution, and can give guidance for the experimental synthesis of this material. Furthermore, the variation of the electronic structures versus x and its mechanism are elaborated in detail, and the experimental bandgap as a function of x is well predicted. Our findings provide important insights into the experimentally observed structural and electronic properties, and can give theoretical guidelines for the further design of the Cd(1-x)Zn(x)S solid solution.

  1. Crystal phase transition in LixNa1-xGdF4 solid solution nanocrystals - Tuning of optical properties

    KAUST Repository

    Bański, Mateusz

    2014-01-01

    The influence of precursor composition on the crystallization of LixNa1-xGdF4 is investigated and discussed. Nanocrystals are prepared from the thermal decomposition of trifluoroacetates in the presence of trioctylphosphine oxide to provide control over particle size. A crystal phase transition from hexagonal to cubic and to tetragonal is observed by increasing lithium trifluoroacetate (Li-TFA) in the solution. Controlling the composition of LixNa1-xGdF4 nanocrystals results in modified crystal field symmetry and emission properties from doped europium (Eu3+) ions. We report that for lithium (Li+) substitution <15%, the hexagonal crystal field is preferred, while the Eu3+ emission is already tuned, whereas at higher Li+ substitution, a phase change takes place and the number of crystalline matrix defects increases which is reflected in the optical properties of Eu3+. From Eu3+ emission properties, the optimum Li+ content is determined to be ∼6.2% in the prepared LixNa1-xGdF4 nanocrystals.

  2. Synthesis of Nano-Scale Fast Ion Conducting Cubic Li7La3Zr2O12

    Science.gov (United States)

    2013-09-25

    0.24 moles of aluminum was added using aluminum oxide (50 nm, Merck) to the precursor solution before gelation occurs. The process flow diagram...cubic Li A solution-based process was investigated for synthesizing cubic Li7La3Zr2O12 (LLZO), which is known to exhibit the unprecedented combination of...Park, NC 27709-2211 batteries, solution based process , synthesizing cubic LLZO, fast ionic conductivity REPORT DOCUMENTATION PAGE 11. SPONSOR

  3. Comparison of the Solid Solution Properties of Mg-RE (Gd, Dy, Y Alloys with Atomistic Simulation

    Directory of Open Access Journals (Sweden)

    Yurong Wu

    2008-01-01

    Full Text Available Molecular dynamic simulations have been performed to study the solid solution mechanism of Mg100-xREx (RE=Gd,Dy,Y, x=0.5,1,2,3,4  at.%. The obtained results reveal that the additions of Gd, Dy and Y increase the lattice constants of Mg-RE alloys. Also the axis ratio c/a remains unchanged with increase in temperature, restraining the occurrence of nonbasal slip and twinning. Furthermore, it is confirmed that bulk modulus of Mg alloys can be increased remarkably by adding the Gd, Dy, Y, especially Gd, because the solid solubility of Gd in Mg decrease sharply with temperature in comparison with Dy and Y. Consequently, the addition of the RE can enhance the strength of Mg-based alloys, which is in agreement with the experimental results.

  4. Zr and Sn substituted (Na0.5Bi0.5)TiO3 -based solid solutions

    Science.gov (United States)

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

    2016-02-01

    The paper attempts to investigate the phase formation of a Zr- and Sn-substituted [(Na0.5Bi0.5)0.80Ba0.20](Ti1-yBy)O3 system during its solid state synthesis. The synthesis was found to be a multi-step process associated with the formation of a number of intermediate phases which however depended on the compositions and sintering temperatures. Single phase solid solutions were obtained when the sintering temperature was increased to 1000 °C-1100 °C. Increase in the concentration of substituting ions, on the one hand, tends to linearly increase the crystal cell size whereas the tolerance factor, on the other hand, gets reduced bolstering the stability of anti-ferroelectric phase as compared to that of ferroelectric phase’.

  5. 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.

  6. Community Solutions for Solid Waste Pollution, Level 6. Teacher Guide. Operation Waste Watch.

    Science.gov (United States)

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

    Operation Waste Watch is a series of seven sequential learning units which addresses the subject of litter control and solid waste management. Each unit may be used in a variety of ways, depending on the needs and schedules of individual schools, and may be incorporated into various social studies, science, language arts, health, mathematics, and…

  7. Extremely thin bilayer electrolyte for solid oxide fuel cells (SOFCs) fabricated by chemical solution deposition (CSD).

    Science.gov (United States)

    Oh, Eun-Ok; Whang, Chin-Myung; Lee, Yu-Ri; Park, Sun-Young; Prasad, Dasari Hari; Yoon, Kyung Joong; Son, Ji-Won; Lee, Jong-Ho; Lee, Hae-Weon

    2012-07-03

    An extremely thin bilayer electrolyte consisting of yttria-stabilized zirconia (YSZ) and gadolinia-doped ceria (GDC) is successfully fabricated on a sintered NiO-YSZ substrate. Major processing flaws are effectively eliminated by applying local constraints to YSZ nanoparticles, and excellent open circuit voltage and cell performance are demonstrated in a solid oxide fuel cell (SOFC) at intermediate operating temperatures.

  8. Thermal decomposition of solid solutions in systems of Fe(II), Co(II), and Ni(II) hydrogen maleates with the formation of bimetallic nanoparticles

    Science.gov (United States)

    Yudanova, L. I.; Logvinenko, V. A.; Sheludyakova, L. A.; Ishchenko, A. V.; Rudina, N. A.

    2017-01-01

    XRD phase analysis and thermal analysis are used to confirm the formation of a continuous series of solid solutions in which one cation is substituted for another in the systems Co(II) hydrogen maleate-Ni(II) hydrogen maleate; Fe(II) hydrogen maleate-Co(II) hydrogen maleate; and Fe(II) hydrogen maleate-Ni(II) hydrogen maleate. The unit cell volume of these solid solutions is shown to depend linearly on their composition. The linear character of changes in the initial temperatures of dehydration and thermal decomposition is established. Using the example of the first of these systems, it is shown that when heated, bimetallic nanoparticles embedded in the polymeric matrix of composites obtained via the thermal decomposition of solid solutions of hydrogen maleates undergo a second-order phase transition, resulting in decomposition of the solid solutions of metals at the Curie temperature.

  9. On the Stability of Cubic Galileon Accretion

    CERN Document Server

    Bergliaffa, Santiago P E

    2016-01-01

    We examine the stability of steady-state galileon accretion for the case of a Schwarzshild black hole. Considering the galileon action up to the cubic term in a static and spherically symmetric background we obtain the general solution for the equation of motion which is divided in two branches. By perturbing this solution we define an effective metric which determines the propagation of fluctuations. In this general picture we establish the position of the sonic horizon together with the matching condition of the two branches on it. Restricting to the case of a Schwarzschild background, we show, via the analysis of the energy of the perturbations and its time derivative, that the accreting field is linearly stable.

  10. Simultaneous monitoring of protein adsorption at the solid-liquid interface from sessile solution droplets by ellipsometry and axisymmetric drop shape analysis by profile

    NARCIS (Netherlands)

    Wormeester, H; Busscher, HK

    1999-01-01

    In this paper two in situ techniques are combined to simultaneously examine protein adsorption at the solid-liquid interface from sessile solution droplets. With axisymmetric drop shape analysis by profile (ADSA-P) the change in solid-liquid interfacial tension is determined, while ellipsometry is e

  11. 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

  12. 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

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

    Energy Technology Data Exchange (ETDEWEB)

    Mojtahedi, M., E-mail: m.mojtahedi@gmail.com [School of Materials Science and Engineering, Iran University of Science and Technology, Narmak, Tehran 16846-13114 (Iran, Islamic Republic of); Goodarzi, M.; Aboutalebi, M.R. [School of Materials Science and Engineering, Iran University of Science and Technology, Narmak, Tehran 16846-13114 (Iran, Islamic Republic of); Ghaffari, M. [Department of Electrical and Electronics Engineering, UNAM-Institute of Materials Science and Nanotechnology, Bilkent University, Ankara 06800 (Turkey); Soleimanian, V. [Department of Physics, Faculty of Science, Shahrekord University, P.O. Box 115, Shahrekord (Iran, Islamic Republic of)

    2013-02-15

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

  14. Some Physicochemical Properties of Yb14MnSb11 and Its Solid Solutions with Gadolinium Yb14-xGdxMnSb11 Type

    Directory of Open Access Journals (Sweden)

    Abdusalyamova Makhsuda

    2016-01-01

    Full Text Available Data on structure, melting temperatures, density, thermal dilatation, kinetic of oxidation of Yb14MnSb11 and its solid solutions with gadolinium are presented in this article. All solid solutions are isostructural with Zintlcompound Ca14AlSb11 and crystallizes in tetragonal structure. Investigations melting temperatures, thermal dilatation, oxidation have shown that GdincorporatenearGd≈ 0.5 and increased melting point and thermal dilatation.

  15. Some Physicochemical Properties of Yb14MnSb11 and Its Solid Solutions with Gadolinium Yb14-xGdxMnSb11 Type

    OpenAIRE

    Abdusalyamova Makhsuda; Vasilyeva Inga

    2016-01-01

    Data on structure, melting temperatures, density, thermal dilatation, kinetic of oxidation of Yb14MnSb11 and its solid solutions with gadolinium are presented in this article. All solid solutions are isostructural with Zintlcompound Ca14AlSb11 and crystallizes in tetragonal structure. Investigations melting temperatures, thermal dilatation, oxidation have shown that GdincorporatenearGd≈ 0.5 and increased melting point and thermal dilatation.

  16. FABRICATION AND PLASTIC BEHAVIOR OF SINGLE CRYSTAL MgO-NiO AND MgO-MnO SOLID SOLUTION ALLOYS,

    Science.gov (United States)

    A method of producing solid solution MgO-NiO and MgO-MnO single-crystals is presented. The com presive yield strength of MgO is shown to in crease...nearly four-fold when small amounts of either NiO or MnO is in solid solution in MgO. The cleavage and slip behavior of these alloy crystals are found to be identical to that of MgO. (Author)

  17. EXACT SOLUTION OF AN EXTERNAL CIRCULAR CRACK IN A PIEZOELECTRIC SOLID SUBJECTED TO SHEAR LOADING

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    A three-dimensional, exact analysis is presented in this paperfor the problem of an external circular crack in a transversely isotropic piezoelectric medium subjected to arbitrary antisymmetric shear loading. A recently proposed general solution of three-dimensional piezoelectricity is employed. It is shown that four quasi harmonic functions involved in the general solution can be represented by just one complex potential. Previous results in potential theory are then used to obtain the exact solution of the problem. For point shear loading, Green's functions for the elastoelectric field are derived in terms of elementary functions.

  18. Cubication of Conservative Nonlinear Oscillators

    Science.gov (United States)

    Belendez, Augusto; Alvarez, Mariela L.; Fernandez, Elena; Pascual, Immaculada

    2009-01-01

    A cubication procedure of the nonlinear differential equation for conservative nonlinear oscillators is analysed and discussed. This scheme is based on the Chebyshev series expansion of the restoring force, and this allows us to approximate the original nonlinear differential equation by a Duffing equation in which the coefficients for the linear…

  19. Cryptographic Analysis in Cubic Time

    DEFF Research Database (Denmark)

    Nielson, Flemming; Nielson, Hanne Riis; Seidl, H.

    2004-01-01

    The spi-calculus is a variant of the polyadic pi-calculus that admits symmetric cryptography and that admits expressing communication protocols in a precise though still abstract way. This paper shows that context-independent control flow analysis can be calculated in cubic time despite the fact ...

  20. The diagonalization of cubic matrices

    Science.gov (United States)

    Cocolicchio, D.; Viggiano, M.

    2000-08-01

    This paper is devoted to analysing the problem of the diagonalization of cubic matrices. We extend the familiar algebraic approach which is based on the Cardano formulae. We rewrite the complex roots of the associated resolvent secular equation in terms of transcendental functions and we derive the diagonalizing matrix.

  1. Crystallographic analysis of the solid solution of iron doped potassium strontium niobate with tetragonal tungsten bronze structure

    OpenAIRE

    Silvania Lanfredi; Nobre,Marcos A. L.; Lima,Alan R. F.

    2010-01-01

    Solid solution of iron doped potassium strontium niobate with KSr2(FeNb4)O15-Δ stoichiometry was prepared by high efficiency ball milling method. Structural characterization was carried out by X-ray diffraction. Crystalline structure was analyzed by the Rietveld refinements using the FullProf software. The results showed a tetragonal system with the tetragonal tungsten bronze structure - TTB (a = 12.4631 (2) Å and c = 3.9322 (6) Å, V = 610.78 (2) ų). In this work, the sites occupancy by...

  2. 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.

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

    Science.gov (United States)

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

    2016-03-01

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

  4. Interstitial positions of tin ions in alpha-(FerichSn)(2)O-3 solid solutions prepared by mechanical alloying

    DEFF Research Database (Denmark)

    Jiang, Jianzhong; Lin, Rong; Nielsen, Kurt

    1997-01-01

    The microstructure of samples of 91, 85, and 71 mol % alpha-Fe-2-O-3-SnO2. prepared by mechanical alloying, has been studied by x-ray diffraction with Rietveld structure refinements, On the basis of the structure refinements to the whole x-ray diffraction patterns for the four as-milled samples......, it is found that tin ions do not substitute iron ions in the solid solution, although this model is generally assumed in the literature. The Sn4+ ions occupy the empty octahedral holes in the lattice of the alpha-Fe2O3 phase....

  5. αB-Crystallin. A Hybrid Solid-State/Solution-State NMR Investigation Reveals Structural Aspects of the Heterogeneous Oligomer

    Energy Technology Data Exchange (ETDEWEB)

    Jehle, Stefan [Freie Univ., Berlin (Germany); Leibniz Inst. for Molecular Pharmacology, Berlin (Germany); van Rossum, Barth [Leibniz Inst. for Molecular Pharmacology, Berlin (Germany); Stout, Joseph R. [Univ. of Washington, Seattle, WA (United States); Noguchi, Satoshi M. [Univ. of Washington, Seattle, WA (United States); Falber, Katja [Leibniz Inst. for Molecular Pharmacology, Berlin (Germany); Rehbein, Kristina [Leibniz Inst. for Molecular Pharmacology, Berlin (Germany); Oschkinat, Hartmut [Freie Univ., Berlin (Germany); Leibniz Inst. for Molecular Pharmacology, Berlin (Germany); Klevit, Rachel E. [Univ. of Washington, Seattle, WA (United States); Rajagopal, Ponni [Univ. of Washington, Seattle, WA (United States)

    2008-11-14

    Atomic-level structural information on αB-Crystallin (αB), a prominent member of the small heat-shock protein family, has been a challenge to obtain due its polydisperse oligomeric nature. We show that magic-angle spinning solid-state NMR can be used to obtain high-resolution information on an ~580-kDa human αB assembled from 175-residue 20-kDa subunits. An ~100-residue α-crystallin domain is common to all small heat-shock proteins, and solution-state NMR was performed on two different α- crystallin domain constructs isolated from αB. In vitro, the chaperone-like activities of full-length αB and the isolated α-crystallin domain are identical. Chemical shifts of the backbone and Cβ resonances have been obtained for residues 64–162 (α-crystallin domain plus part of the C-terminus) in αB and the isolated α-crystallin domain by solid-state and solution-state NMR, respectively. Both sets of data strongly predict six β-strands in the α-crystallin domain. A majority of residues in the α-crystallin domain have similar chemical shifts in both solid-state and solution-state, indicating similar structures for the domain in its isolated and oligomeric forms. Sites of intersubunit interaction are identified from chemical shift differences that cluster to specific regions of the α-crystallin domain. Multiple signals are observed for the resonances of M68 in the oligomer, identifying the region containing this residue as existing in heterogeneous environments within αB. Evidence for a novel dimerization motif in the human α-crystallin domain is obtained by a comparison of (i) solid-state and solution-state chemical shift data and (ii) 1H–15N heteronuclear single quantum coherence spectra as a function of pH. The isolated α-crystallin domain undergoes a dimer–monomer transition over the pH range 7.5–6.8. This steep pHdependent switch may be important for αB to function optimally (e.g., to preserve the filament integrity

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. The Modelling of The Solids Solution Formation Mechanism in Systems In2O3-ZrO2 at Heating in Air

    Directory of Open Access Journals (Sweden)

    A.E. Soloviova

    2011-01-01

    Full Text Available The mathematical model for the simulation of the formation and dissociation processes of solid solutions in In2O3-ZrО2 system are proposed. It permit us to calculate the ionic radii of cations: indium, zirconium, anion and anion vacancy. Solid solutions in the system formed by the disordered phase of indium oxide type C1. It was revealed that at temperatures 1450, 1600° C in air d of the system formed limited solid solutions such as: subtraction – substitution, subtraction – replacement – introduction. It was established, the size of the cations of indium, zirconium, and the number of defects determines the type of solid solution in the system In2O3-ZrО2. The energies of the formation of solid solutions, energy of the electrical conductivity in this system were calculated. Using the sale conductivities data it was revealed that the conduction current density and charge carrier mobility depends on the type of solid solution, rather than on the valence of the cations of zirconium.

  11. 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.

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

    Science.gov (United States)

    Kobayashi, Hirokazu; Kusada, Kohei; Kitagawa, Hiroshi

    2015-06-16

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

  13. Numerical solution of moving boundary problem for deposition process in solid fuel gas generator

    Science.gov (United States)

    Volokhov, V. M.; Dorofeenko, S. O.; Sharov, M. S.; Toktaliev, P. D.

    2016-11-01

    Moving boundary problem in application to process of depositions formation in gas generator are considered. Gas generator, as a part of fuel preparation system of high-speed vehicle, convert solid fuel into multicomponent multiphase mixture, which further burned down in combustion chamber. Mathematical model of two-phase “gas-solid particles” flow, including Navier-Stokes equations for turbulent flow in gas generator and mass, impulse conservations laws for elementary depositions layer are proposed. Verification of proposed mathematical model for depositions mass in gas generator conditions is done. Further possible improvements of proposed model, based on more detail accounting of particle-wall interaction and wall's surface adhesion properties are analyzed.

  14. 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.

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

    Science.gov (United States)

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

    2010-10-01

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

  16. Phase diagrams and synthesis of cubic boron nitride

    CERN Document Server

    Turkevich, V Z

    2002-01-01

    On the basis of phase equilibria, the lowest temperatures, T sub m sub i sub n , above which at high pressures cubic boron nitride crystallization from melt solution is allowable in terms of thermodynamics have been found for a number of systems that include boron nitride.

  17. A Unified Approach to Teaching Quadratic and Cubic Equations.

    Science.gov (United States)

    Ward, A. J. B.

    2003-01-01

    Presents a simple method for teaching the algebraic solution of cubic equations via completion of the cube. Shows that this method is readily accepted by students already familiar with completion of the square as a method for quadratic equations. (Author/KHR)

  18. Global Well-Posedness for Cubic NLS with Nonlinear Damping

    KAUST Repository

    Antonelli, Paolo

    2010-11-04

    We study the Cauchy problem for the cubic nonlinear Schrödinger equation, perturbed by (higher order) dissipative nonlinearities. We prove global in-time existence of solutions for general initial data in the energy space. In particular we treat the energy-critical case of a quintic dissipation in three space dimensions. © Taylor & Francis Group, LLC.

  19. Computing phase relations involving ordered solid solutions ab initio: Three thermodynamic approaches to the Fe-Si binary

    Science.gov (United States)

    Asimow, P. D.; Caracas, R.; Wolf, A. S.; Harvey, J. P.

    2016-12-01

    To find inner core compositions (X) consistent with geophysical data, we need phase relations of multicomponent metallic systems at high pressure (P) and temperature (T); the stable phase at a given (P,T,X) determines the physical properties. Given the difficulty of experiments under inner core conditions, reliable computations of such phase relations are needed. Despite advances in computational methods and computing power, challenges include proper treatment of solid solutions with their continuous variation in composition and ordering phenomena. We consider here how to predict phase diagrams from thermodynamic models of partly ordered solid solution phases calibrated with density functional theory to obtain static enthalpy (H) and volume (V), density functional perturbation theory and quasiharmonic approximation for vibrational heat capacity, and three approaches to solution theory to parameterize mixing properties. This approach is applied to B2 and HCP structures in the system Fe-FeSi for comparison to experimental data such as Fischer et al. (2013). We computed H and V of 7 compositions across the Fe-FeSi binary for both B2 and HCP structures, every 20 or 40 GPa from 0 to 400 GPa. We used supercells with up to 24 atoms to explore multiple configurations of the atoms. The H differences among clustered, random, and ordered arrangments of the atoms are neither so small as to imply random mixing nor so large that one configuration will dominate. We computed phonon density of states of at least three compositions for each structure in order to define vibrational heat capacity across each binary using ideal mixing and to test this approximation. We then used three different approaches to solid solution theory to fit the mixing properties: (1) Asymmetric regular solution theory, with (P,T)-dependent Margules parameters to describe the excess H but assuming ideal one-site entropy (S) of mixing; (2) the quasichemical model, accounting for optimized Fe-Si pair

  20. PepFect 14, a novel cell-penetrating peptide for oligonucleotide delivery in solution and as solid formulation.

    Science.gov (United States)

    Ezzat, Kariem; Andaloussi, Samir E L; Zaghloul, Eman M; Lehto, Taavi; Lindberg, Staffan; Moreno, Pedro M D; Viola, Joana R; Magdy, Tarek; Abdo, Rania; Guterstam, Peter; Sillard, Rannar; Hammond, Suzan M; Wood, Matthew J A; Arzumanov, Andrey A; Gait, Michael J; Smith, C I Edvard; Hällbrink, Mattias; Langel, Ülo

    2011-07-01

    Numerous human genetic diseases are caused by mutations that give rise to aberrant alternative splicing. Recently, several of these debilitating disorders have been shown to be amenable for splice-correcting oligonucleotides (SCOs) that modify splicing patterns and restore the phenotype in experimental models. However, translational approaches are required to transform SCOs into usable drug products. In this study, we present a new cell-penetrating peptide, PepFect14 (PF14), which efficiently delivers SCOs to different cell models including HeLa pLuc705 and mdx mouse myotubes; a cell culture model of Duchenne's muscular dystrophy (DMD). Non-covalent PF14-SCO nanocomplexes induce splice-correction at rates higher than the commercially available lipid-based vector Lipofectamine 2000 (LF2000) and remain active in the presence of serum. Furthermore, we demonstrate the feasibility of incorporating this delivery system into solid formulations that could be suitable for several therapeutic applications. Solid dispersion technique is utilized and the formed solid formulations are as active as the freshly prepared nanocomplexes in solution even when stored at an elevated temperatures for several weeks. In contrast, LF2000 drastically loses activity after being subjected to same procedure. This shows that using PF14 is a very promising translational approach for the delivery of SCOs in different pharmaceutical forms.