WorldWideScience

Sample records for liquid binary alloys

  1. Electrical Resistivity of Na-K Binary Liquid Alloy Using Ab-Initio Pseudopotentials

    Institute of Scientific and Technical Information of China (English)

    Anil Thakur; P. K. Ahluwalia

    2005-01-01

    @@ The study of electrical resistivity of simple binary liquid alloy Na-K is presented as a function of concentration.Hard sphere diameters of sodium (Na) and potassium (K) are obtained through the inter ionic pair potentials evaluated using Troullier and Martins ab-initio pseudopotentials, which have been used to calculate partial structure factors S(q). The Ziman formula for calculating resistivity of binary liquid alloys has been used. Form factors are calculated using ab-initio pseudopotentials. The results suggest that the first principle approach for calculating pseudopotentials with in the frame work of Ziman formalism is quite successful in explaining the electrical resistivity data of compound forming binary liquid alloys.

  2. Correlation between liquid structure and glass forming ability in glassy Ag-based binary alloys

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    The atomic structures of liquid Ag-based binary alloys have been investigated in the solidification process by means of X-ray diffraction. The results of liquid structure show that there is a break point in the mean nearest neighbor distance r1 and the coordination number Nmin for glass-forming liquid, while the correlation radius rc and the coordination number Nmin display a monotone variational trend above the break point. It means glass-forming liquids have a steady changing in structure above liquidus and more inhomogeneous state at liquidus. We conclude that there is a strong correlation between liquid structure and glass forming ability in Ag-based binary alloys.

  3. PREDICTION OF THE MIXING ENTHALPIES OF BINARY LIQUID ALLOYS BY MOLECULAR INTERACTION VOLUME MODEL

    Institute of Scientific and Technical Information of China (English)

    H.W.Yang; D.P.Tao; Z.H.Zhou

    2008-01-01

    The mixing enthalpies of 23 binary liquid alloys are calculated by molecular interaction volume model (MIVM), which is a two-parameter model with the partial molar infinite dilute mixing enthalpies. The predicted values are in agreement with the experimental data and then indicate that the model is reliable and convenient.

  4. Energy of formation for AgIn liquid binary alloys along the line of phase separation

    CERN Document Server

    Bhuiyan, G M; Ziauddin-Ahmed, A Z

    2003-01-01

    We have investigated the energy of formation for AgIn liquid binary alloys along the solid-liquid phase separation line. A microscopic theory based on the first order perturbation has been applied. The interionic interaction and a reference liquid are the fundamental components of the theory. These are described by a local pseudopotential and the hard sphere liquids, respectively. The results of calculations reveal a characteristic feature that the energy of formation becomes minimum at the equiatomic composition, and thus indicates maximal mix-ability at this concentration. The energy of formation at a particular thermodynamic state that is at T 1173 K predicts the experimental trends fairly well.

  5. Optimization method for the study of the properties of Al-Sn binary liquid alloys

    Energy Technology Data Exchange (ETDEWEB)

    Shrestha, G.K. [University Department of Physics, T.M. Bhagalpur University, Bhagalpur (India); Pulchowk Campus, IOE, Tribhuvan University, Lalitpur (Nepal); Singh, B.K. [University Department of Physics, T.M. Bhagalpur University, Bhagalpur (India); Jha, I.S. [M.M.A.M. Campus, Tribhuvan University, Biratnagar (Nepal); Singh, B.P. [University Department of Physics, T.M. Bhagalpur University, Bhagalpur (India); Adhikari, D., E-mail: adksbdev@yahoo.com [M.M.A.M. Campus, Tribhuvan University, Biratnagar (Nepal)

    2017-06-01

    The best fit value of order energy parameter (W) has been estimated over the entire range of concentration in Al-Sn binary liquid alloy at a specified temperature to determine the thermodynamic properties and concentration fluctuations, obtained by a theoretical formalism in which the combined effect of size ratio, entropic and enthalpic effect is considered. The values of W at different temperatures have been determined by finding the temperature derivative of W which are then used for the optimization procedure in order to determine the corresponding values of excess free energy of mixing, partial excess free energy of mixing and activity of the components involved in the alloy. These parameters have been used to calculate the concentration fluctuations in long wavelength limit {S_c_c(0)} at different temperatures over the entire range of concentration which predict the stability of the alloy at different temperatures.

  6. Atomic transport properties of Ag xSn 1-x liquid binary alloys

    Science.gov (United States)

    Bhuiyan, E. H.; Ziauddin Ahmed, A. Z.; Bhuiyan, G. M.; Shahjahan, M.

    2008-05-01

    Atomic transport properties, in particular the shear viscosity and diffusion constants for Ag xSn 1-x less simple liquid binary alloys are theoretically studied from a statistical mechanical theory called the distribution function method. The essential ingredients of this theory are the interionic interaction and the pair distribution function for hard spheres. The interionic interaction are described from a local pseudopotential model and the effective hard sphere diameters are obtained from the thermodynamic perturbative method known as the linearized Weeks-Chandler-Andersen (LWCA). Results of calculations for shear viscosities agree well with the available experimental data.

  7. Enthalpies of mixing in binary liquid alloys of lutetium with 3d metals

    Energy Technology Data Exchange (ETDEWEB)

    Ivanov, Michael; Berezutski, Vadim [National Academy of Sciences, Kyiv (Ukraine). I. Frantsevich Institute for Problems of Materials Science; Usenko, Natalia; Kotova, Natalia [Taras Shevchenko National Univ., Kyiv (Ukraine). Dept. of Chemistry

    2017-01-15

    The enthalpies of mixing in binary liquid alloys of lutetium with chromium, cobalt, nickel and copper were determined at 1 773 - 1 947 K by isoperibolic calorimetry. The enthalpies of mixing in the Lu-Cr melts (measured up to 40 at.% Cr) demonstrate endothermic effects (ΔH = 6.88 ± 0.66 kJ . mol{sup -1} at x{sub Lu} = 0.60), whereas significant exothermic enthalpies of mixing have been established within a wide composition region for the Co-Lu, Ni-Lu and Cu-Lu liquid alloys. Minimum values of the integral enthalpy of mixing are as follows: ΔH{sub min} = -23.57 ± 1.41 kJ . mol{sup -1} at x{sub Lu} = 0.38 for the Co-Lu system; ΔH{sub min} = -48.65 ± 2.83 kJ . mol{sup -1} at x{sub Lu} = 0.40 for the Ni-Lu system; ΔH{sub min} = -24.63 ± 1.52 kJ . mol{sup -1} at x{sub Lu} = 0.37 for the Cu-Lu system.

  8. The solubility of hydrogen in liquid binary Al-Li alloys

    Science.gov (United States)

    Anyalebechi, P. N.; Talbot, D. E. J.; Granger, D. A.

    1988-04-01

    The solubility of hydrogen in liquid binary aluminum alloys with 1, 2, and 3 wt pct lithium has been determined for the temperature range of 913 to 1073 K and pressure 5.3 × 104 to 10.7 × 104 Pa, using an appropriate version of Sieverts’ method. The results fit the Van’t Hoff isobar and Sieverts’ isotherm and the solubility, S, is given by: Al-1 pct Li: log( S/S°) - 1/2 log( P/P°) = -2113/T/k + 2.568 Al-1 pct Li: log( S/S°) - 1/2 log( P/P°) = -2797/T/k + 3.329 Al-1 pct Li: log( S/S°) - 1/2 log( P/P°) = -2889/T/k + 3.508 where S° is a standard value of solubility equal to 1 cm3 of diatomic hydrogen measured at 273 K and 101,325 Pa per 100 g of metal, and P° is a standard pressure equal to 101,325 Pa. Added lithium progressively increases the solubility of hydrogen in liquid aluminum, due more to its effect on the entropy of solution of hydrogen, through its influence on the liquid metal structure than to an increase in the solute hydrogen atom binding enthalpy.

  9. Faceted to non-faceted transition of solid-liquid interface in binary alloys

    Energy Technology Data Exchange (ETDEWEB)

    Yumoto, H.; Hasiguti, R.R.; Kaneko, T.

    1987-03-01

    Jackson's theory on the interfacial roughening transition of pure materials is extended to that of AB binary alloys. In this model, the concept of quasi-dangling bonds is introduced. The bonds are produced by the difference between the number of the interfacial component of nearest neighbors of the A atom and that of the B atom. The roughening temperatures calculated from this model coincide with the faceted - non-faceted transition temperatures obtained experimentally by Miller and Chadwick and by the present authors.

  10. Collective Modes and Elastic Constants of Liquid Al83Cu17 Binary Alloy

    Institute of Scientific and Technical Information of China (English)

    B.Y.Thakore; S.G.Khambholja; P.H.Suthar; N.K.Bhatt; A.R.Jani

    2010-01-01

    @@ The collective dynamics(longitudinal and transverse phonon modes)are studied for aluminum-copper(Al-Cu)binary alloy in terms of the eigen-frequencies of the localized collective excitations.The model pseudopotential formalism is employed using a self-consistent phonon scheme by involving multiple scattering and phonon eigenfrequencies.These frequencies are expressed in terms of many-body correlation functions of atoms as well as of interatomic potential.The important ingredients in the present study are the pair-potential and pair-correlation functions.

  11. Analysis of stability of a planar solid-liquid interface in a dilute binary alloy

    Science.gov (United States)

    Laxmanan, V.

    1990-01-01

    This paper reconsiders the question of stability of a planar solid-liquid interface in an undercooled alloy melt without making the restrictive assumption of no heat flow in the solid (i.e., Gs = 0). The results of this analysis indicate that, provided the thermal gradient on the solid side of the interface, Gs, is positive, stability can be achieved in an undercooled alloy melt for growth rates R greater than Ra (where Ra is the absolute stability limit of Mullins and Sekerka, 1964). Thus, the absolute stability criterion for steady-state planar growth in an undercooled alloy melt is the same as derived earlier by Mullins and Sekerka for directional solidification. Relaxing the restrictive assumption of Gs = 0 also reveals that there is a regime of stability for low growth rates and low supercoolings.

  12. The Knight Shift in Liquid Binary Alloys : An Application of Quantum Chemistry in Liquid- and Solid-state Physics

    NARCIS (Netherlands)

    De Hosson, J. Th. M.; Van Der Lugt, W.

    1979-01-01

    We outline a model for calculating the Knight shifts of Na-23 and Li-7 nuclei in liquid sodium-lithium alloys. The model used for the calculations is based on the "multiple-scattering" model (self-consistent scattered wave). Bearing in mind that there exists an uncertainty of about 5-10% in the valu

  13. A systematic study of segregation for Zn{sub x}Bi{sub 1−x} liquid binary alloys

    Energy Technology Data Exchange (ETDEWEB)

    Kasem, Md. Riad; Maruf, Md. Helal Uddin [Department of Physics, University of Dhaka, Dhaka (Bangladesh); Bhuiyan, G. M., E-mail: gbhuiyan@du.ac.bd [Department of Theoretical Physics, University of Dhaka, Dhaka (Bangladesh)

    2015-07-21

    We have investigated the segregating properties of Zn{sub x}Bi{sub 1−x} liquid binary alloys through the thermodynamic route that involves both energy of mixing and entropy of mixing. The perturbation approach is used for effective numerical calculations. Results of our calculations agree well with corresponding experimental data for energy and entropy of mixing in the mixed state. The final prediction of segregating properties such as critical concentration and critical temperature also matches reasonably well with experimental data. Most importantly, both energy of mixing and entropy of mixing have produced almost same values for critical concentration and critical temperature of segregation and thus confirm the reliability of the present approach.

  14. Simulation of nuclei morphologies for binary alloy

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    We study the critical nuclei morphologies of a binary alloy by the string method. The dynamic equation of the string, connecting the metastable phase (liquid) and stable phase (solid), is governed by Helmholtz free energy for the binary alloy system at a given temperature. The stationary string through the critical nucleus (saddle point) is obtained if the relaxation time of the string is su?ciently large. The critical nucleus radius and energy barrier to nucleation of a pure alloy with isotropic interface energy in two and three dimensions are calculated, which are consistent with the classical nucleation theory. The critical nuclei morphologies are sensitive to the anisotropy strength of interface energy and interface thickness of alloy in two and three dimensions. The critical nucleus and energy barrier to nucleation become smaller if the anisotropy strength of the interface energy is increased, which means that it is much easier to form a stable nucleus if the anisotropy of the interface energy is considered.

  15. Effect of atomic size on undercoolability of binary solid solution alloy liquids with Zr, Ti, and Hf using electrostatic levitation.

    Science.gov (United States)

    Jeon, S; Kang, D-H; Lee, Y H; Lee, S; Lee, G W

    2016-11-07

    We investigate the relationship between the excess volume and undercoolability of Zr-Ti and Zr-Hf alloy liquids by using electrostatic levitation. Unlike in the case of Zr-Hf alloy liquids in which sizes of the constituent atoms are matched, a remarkable increase of undercoolability and negative excess volumes are observed in Zr-Ti alloy liquids as a function of their compositional ratios. In this work, size mismatch entropies for the liquids were obtained by calculating their hard sphere diameters, number densities, and packing fractions. We also show that the size mismatch entropy, which arises from the differences in atomic sizes of the constituent elements, plays an important role in determining the stabilities of metallic liquids.

  16. Selective dissolution in binary alloys

    Science.gov (United States)

    McCall, Carol Rene

    Corrosion is an important issue in the design of engineering alloys. De-alloying is an aspect of alloy corrosion related to the selective dissolution of one or more of the components in an alloy. The work reported herein focuses on the topic of de-alloying specific to single-phase binary noble metal alloy systems. The alloy systems investigated were gold-silver and gold-copper. The onset of a bulk selective dissolution process is typically marked by a critical potential whereby the more reactive component in the alloy begins dissolving from the bulk, leading to the formation of a bi-continuous solid-void morphology. The critical potential was investigated for the entire composition range of gold-silver alloys. The results presented herein include the formulation of an expression for critical potential as a function of both alloy and electrolyte composition. Results of the first investigation of underpotential deposition (UPD) on alloys are also presented herein. These results were implemented as an analytical tool to provide quantitative measurements of the surface evolution of gold during de-alloying. The region below the critical potential was investigated in terms of the compositional evolution of the alloy surface. Below the critical potential, there is a competition between the dissolution of the more reactive alloying constituent (either silver or copper) and surface diffusion of gold that serves to cover dissolution sites and prevent bulk dissolution. By holding the potential at a prescribed value below the critical potential, a time-dependent gold enrichment occurs on the alloy surface leading to passivation. A theoretical model was developed to predict the surface enrichment of gold based on the assumption of layer-by-layer dissolution of the more reactive alloy constituent. The UPD measurements were used to measure the time-dependent surface gold concentration and the results agreed with the predictions of the theoretical model.

  17. A New Thermodynamic Calculation Method for Binary Alloys: Part I: Statistical Calculation of Excess Functions

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The improved form of calculation formula for the activities of the components in binary liquids and solid alloys has been derived based on the free volume theory considering excess entropy and Miedema's model for calculating the formation heat of binary alloys. A calculation method of excess thermodynamic functions for binary alloys, the formulas of integral molar excess properties and partial molar excess properties for solid ordered or disordered binary alloys have been developed. The calculated results are in good agreement with the experimental values.

  18. Binary Colloidal Alloy Test-3 and 4: Critical Point

    Science.gov (United States)

    Weitz, David A.; Lu, Peter J.

    2007-01-01

    Binary Colloidal Alloy Test - 3 and 4: Critical Point (BCAT-3-4-CP) will determine phase separation rates and add needed points to the phase diagram of a model critical fluid system. Crewmembers photograph samples of polymer and colloidal particles (tiny nanoscale spheres suspended in liquid) that model liquid/gas phase changes. Results will help scientists develop fundamental physics concepts previously cloaked by the effects of gravity.

  19. 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.

  20. Density of Liquid Binary Ni-W Alloys Measured by Modified Sessile Drop Method%用改良静滴法测量液态Ni-W二元合金的密度

    Institute of Scientific and Technical Information of China (English)

    方亮; 肖锋; 陶再南

    2004-01-01

    In order ot provide a scientific base for studying the shrinkage, transport phenomena and macrosegregation during the solidification of an alloy, the density of liquid binary Ni-W alloys with tungsten concentration from 0 to 15 mass% was measured by a modified sessile drop method. It has been found that the density of the liquid Ni-W alloys decreases with increasing temperature, but increases with the increase of tungsten concentration in the alloys. The molar volume of liquid Ni-W binary alloys increases with the increase of temperature and tungsten concentration. The partial molar volume of tungsten in Ni-W binary alloy has been evaluated approximately as (10.80-1.35× 10-3T) × 10-6 m3·mol-1.%为了给研究合金在凝固过程中发生收缩、迁移现象和偏析提供科学依据,我们用改良静滴法对钨浓度为0到15%的液态Ni-W二元合金的密度进行了测量.结果表明:Ni-W二元合金的液态密度随温度的增加而减少,但随合金中钨浓度的增加而增加;液态Ni-W二元合金的摩尔体积随温度和合金中钨浓度的增加而增加.金属钨在Ni-W二元合金中的偏摩尔体积约为(10.80-1.35×10-3T)×10-6m3·mol-1.

  1. Free energy change of off-eutectic binary alloys on solidification

    Science.gov (United States)

    Ohsaka, K.; Trinh, E. H.; Lin, J.-C.; Perepezko, J. H.

    1991-01-01

    A formula for the free energy difference between the undercooled liquid phase and the stable solid phase is derived for off-eutectic binary alloys in which the equilibrium solid/liquid transition takes place over a certain temperature range. The free energy change is then evaluated numerically for a Bi-25 at. pct Cd alloy modeled as a sub-subregular solution.

  2. Density of Ni-Al Alloys in Liquid and Solid-Liquid Coexistence State Measured by a Modified Pycnometric Method

    Institute of Scientific and Technical Information of China (English)

    Liang FANG; Feng XIAO; Zushu LI; Zainan TAO

    2004-01-01

    The density of Ni-Al alloys in both liquid state and solid-liquid coexistence state was measured with a modified pycnometric method. It was found that the density of NI-Al alloys decreases with increasing temperature and Al concentration in the alloys. The molar volume of liquid Ni-Al binary alloys increases with the increase of temperature and Al concentration. The partial molar volume of Al in NI-Al binary alloy was calculated approximately. The molar volume of liquid NI-Al alloy determined in the present work shows a negative deviation from the ideal linear molar volume.

  3. Numerical modelling of the binary alloys solidification with solutal undercooling

    Directory of Open Access Journals (Sweden)

    T. Skrzypczak

    2008-03-01

    Full Text Available In thc papcr descrip~ion of mathcmn~icaI and numerical modcl of binay alloy sot idification is prcscntcd. Mctal alloy consisting of maincomponent and solulc is introduced. Moving, sharp solidification rmnt is assumcd. Conaitulional undcrcooling phcnomcnon is tnkcn intoconsidcralion. As a solidifica~ionf ront advances, solutc is rcdistributcd at thc intcrfacc. Commonly, solutc is rejccted into Itlc liquid. whcrcit accumuIatcs into solittc boundary laycr. Depending on thc tcmpcrature gradient, such tiquid may be undcrcoolcd hclow its mclting point,cvcn though it is hot~crth an liquid at thc Front. This phcnomcnon is orten callcd constitutional or soIr~talu ndcrcool ing, to cmphasizc that itariscs from variations in solutal distribution or I iquid. An important conscqucncc of this accurnulntion of saIutc is that it can cause thc frontto brcak down into cclls or dendri~csT. his occurs bccausc thcrc is a liquid ahcad of thc front with lowcr solutc contcnt, and hcncc a highcrme1 ting tcmpcraturcs than liquid at thc front. In rhc papcr locarion and shapc of wndcrcoolcd rcgion dcpcnding on solidification pararnctcrsis discussed. Nurncrical mcthod basing on Fini tc Elelncnt Mctbod (FEM allowi~lgp rcdiction of breakdown of inoving planar front duringsolidification or binary alloy is proposed.

  4. Density Measurement of Liquid Ni-Ta Alloys by a Modified Sessile Drop Method

    Institute of Scientific and Technical Information of China (English)

    FANG Liang; XIAO Feng; TAO Zainan; Kusuhiro Mukai

    2005-01-01

    The density of liquid Ni-Ta alloys was measured by using a modified sessile drop method. It is found that the density of the liquid Ni-Ta alloys decreases with the increasing temperature, but increases with the increase of tantalum concentration in the alloys. The molar volume of liquid Ni-Ta binary alloys increases with the increase of temperature and tantalum concentration.

  5. Binary Colloidal Alloy Test-5: Phase Separation

    Science.gov (United States)

    Lynch, Matthew; Weitz, David A.; Lu, Peter J.

    2008-01-01

    The Binary Colloidal Alloy Test - 5: Phase Separation (BCAT-5-PhaseSep) experiment will photograph initially randomized colloidal samples onboard the ISS to determine their resulting structure over time. This allows the scientists to capture the kinetics (evolution) of their samples, as well as the final equilibrium state of each sample. BCAT-5-PhaseSep studies collapse (phase separation rates that impact product shelf-life); in microgravity the physics of collapse is not masked by being reduced to a simple top and bottom phase as it is on Earth.

  6. Density of Liquid Ni-Cr Alloy

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    The density of liquid Ni-Cr alloy was measured by a modified sessile drop method. The density of liquid Ni-Cr alloywas found to decrease with increasing temperature and Cr concentration in the alloy. The molar volume of liquidNi-Cr alloy increases with increasing the Cr concentration in the alloy. The molar volume of Ni-Cr alloy determinedin the present work shows a positive deviation from the linear molar volume.

  7. Film induced intergranular cracking of binary noble alloys

    Energy Technology Data Exchange (ETDEWEB)

    Friedersdorf, F. [Bureau of Mines, Albany, OR (United States); Sieradzki, K. [Arizona State Univ., Tempe, AZ (United States)

    1995-10-01

    Dealloying of a binary noble alloy produces a porous layer rich in the more noble element. Application of a tensile load may initiate a brittle intergranular crack in the dealloyed layer that advances into the unattached material. The relationships between the dealloying potential, dealloyed layer thickness and alloy susceptibility to film induced intergranular cracking have been studied. Ag-Au alloys were studied.

  8. Thermodynamics of oxygen in dilute liquid silver-tellurium alloys.

    Science.gov (United States)

    Nyk, Justyna; Onderka, Bogusław

    The activity coefficient of oxygen [Formula: see text] in liquid Ag and binary Ag-Te dilute alloys were determined between 1,285 and 1,485 K by coulometric titration using the electrochemical cell (Ir, [O] in liquid metal or alloy | yttria stabilized zirconia | air, Pt). The experimental and evaluation procedures described in the literature were adopted. The oxygen activity coefficient was determined in pure liquid silver to be [Formula: see text]. Next, the oxygen activity coefficient in dilute Ag-(Te)-O alloys for variable XTe content (from 0.01 to 0.06) was measured. From the obtained results, Wagner's interaction parameter [Formula: see text] as a function of temperature was derived in the form [Formula: see text]. The electrochemical coulometric titration method seems to be very useful to study the thermodynamics of oxygen interaction in liquid silver and its alloys.

  9. Nonlinear equations on controlling interface patterns during solidification of a dilute binary alloy

    Institute of Scientific and Technical Information of China (English)

    王自东; 周永利; 常国威; 胡汉起

    1999-01-01

    In nonequilibrium nonlinear region, by assuming that there is local equilibrium at the solid/liquid interface, and considering that curvature, temperature and composition at the solid/liquid interface which are related to perturbation amplitude are nonlinear, nonlinear equations of the time dependence of the perturbation amplitude of the solid/liquid interface during solidification of a dilute binary alloy are established. Crystal growth from nonsteady state to steady state can be controlled by these nonlinear equations.

  10. Hafnium binary alloys from experiments and first principles

    OpenAIRE

    Levy, Ohad; Hart, Gus L. W.; Curtarolo, Stefano

    2009-01-01

    Despite the increasing importance of hafnium in numerous technological applications, experimental and computational data on its binary alloys is sparse. In particular, data is scant on those binary systems believed to be phase separating. We performed a comprehensive study of 44 hafnium binary systems with alkali metals, alkaline earths, transition metals and metals, using high-throughput first principles calculations. These computations predict novel unsuspected compounds in six binary syste...

  11. Thermodynamic parameters of the first order in low-concentration binary alloys

    Science.gov (United States)

    Bol'shov, L. A.; Korneichuk, S. K.

    2015-12-01

    Thermodynamic parameters of the first order (Wagner interaction parameter ɛ 2 (2) , enthalpy, and entropy parameter σ 2 (2) ) in low-concentration liquid binary alloys are considered. The values of these parameters for 32 binary systems are estimated from experimental data. A system of classification is proposed for the obtained data. These data are compared to similar data for aqueous solutions of nonelectrolytes. A qualitative explanation of the obtained differences is given.

  12. Experimental and calculated liquid-liquid interfacial tension in demixing metal alloys

    Institute of Scientific and Technical Information of China (English)

    Walter Hoyer; Ivan Kaban

    2006-01-01

    Liquid-liquid interfacial tension in binary and ternary Al-based monotectic systems has been determined experimentally with a tensiometric method in a wide temperature interval. The temperature dependence of the interfacial tension is well described by a power law function of the type σαβ~ (1 - T/Tc)δ with the critical exponent δ = 1.3 and a critical tem perature TC. Theoretical models describing the liquid-liquid interface in monotectic alloys and their applicability for calculation of the interfacial tension and its temperature dependence in binary systems are considered.

  13. Density of Liquid Ni-Mo Alloys Measured by a Modified Sessile Drop Method

    Institute of Scientific and Technical Information of China (English)

    Liang FANG; Zushu LI; ZaiNan TAO; Feng XIAO

    2004-01-01

    The density of liquid binary Ni-Mo alloys with molybdenum concentration from 0 to 20% (mass fraction) was measured by a modified sessile drop method. It has been found that the density of the liquid Ni-Mo alloys decreases with increasing temperature, but increases with the increase of molybdenum concentration in the alloys. The molar volume of liquid Ni-Mo binary alloys increases with the increase of temperature and molybdenum concentration. The partial molar volume of molybdenum in Ni-Mo binary alloy has been approximately calculated as [13.18 - 2.65 × 10-3T + (-47.94 + 3.10 × 10-2T) × 10-2XMo] × 10-6m3·mol-1. The molar volume of Ni-Mo alloy determined in the present work shows a negative deviation from the ideal linear mixing molar volume.

  14. Binary Solid-Liquid Phase Equilibria

    Science.gov (United States)

    Ellison, Herbert R.

    1978-01-01

    Indicates some of the information that may be obtained from a binary solid-liquid phase equilibria experiment and a method to write a computer program that will plot an ideal phase diagram to which the experimental results may be compared. (Author/CP)

  15. Density of liquid NiCoAlCr quarternary alloys measured by modified sessile drop method

    Institute of Scientific and Technical Information of China (English)

    FANG Liang; ZHANG Shu-fang; XIAO Feng; YANG Ling-chuan; DONG Jian-xin; CAO Chun-lan; TAO Zai-nan; K. MUKAI

    2006-01-01

    The densities of liquid NiCoAlCr quaternary alloys with a fixed molar ratio of Ni to Co to Al (x(Ni)-x(Co)-x(Al)≈73-12-15) which is close to the average value of the commercial Ni-based superalloys TMS75, INCO713, CM247LC and CMSX-4, and the mass fraction of chromium changes from 0 to 9% were measured by a modified sessile drop method. It is found that with increasing temperature and chromium concentration in the alloys, the densities of the liquid NiCoAlCr quaternary alloys decrease, whereas the molar volume of the liquid NiCoAlCr quaternary alloys increases. And the liquid densities of NiCoAlCr quaternary alloys calculated from the partial molar volumes of nickel, cobalt, aluminum and chromium in the corresponding Ni-bases binary alloys are in good agreement with the experimental ones, i.e. within the error tolerance range the densities of the liquid Ni-based multi-component alloys can be predicted from the partial volumes of elements in Ni-based binary alloys in liquid state. The molar volume of liquid NiCoAlCr binary alloy shows a negative deviation from the ideal linear mixing and the deviation changes small with the increase of chromium concentration at the same temperature.

  16. Alloy hardening and softening in binary molybdenum alloys as related to electron concentration

    Science.gov (United States)

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

    1972-01-01

    An investigation was conducted to determine the effects of alloy additions of hafnium, tantalum, tungsten, rhenium, osmium, iridium, and platinum on hardness of molybdenum. Special emphasis was placed on alloy softening in these binary molybdenum alloys. Results showed that alloy softening was produced by those elements having an excess of s+d electrons compared to molybdenum, while those elements having an equal number or fewer s+d electrons that molybdenum failed to produce alloy softening. Alloy softening and alloy hardening can be correlated with the difference in number of s+d electrons of the solute element and molybdenum.

  17. Plutonium microstructures. Part 2. Binary and ternary alloys

    Energy Technology Data Exchange (ETDEWEB)

    Cramer, E.M.; Bergin, J.B.

    1983-12-01

    This report is the second of three parts that exhibit illustrations of inclusions in plutonium metal from inherent and tramp impurities, of intermetallic and nonmetallic constituents from alloy additions, and of the effects of thermal and mechanical treatments. This part includes illustrations of the microstructures in binary cast alloys and a few selected ternary alloys that result from measured additions of diluent elements, and of the microconstituents that are characteristic of phase fields in extended alloy systems. Microhardness data are given and the etchant used in the preparation of each sample is described.

  18. Microstructure and properties of Mg-Al binary alloys

    Directory of Open Access Journals (Sweden)

    ZHENG Wei-chao

    2006-11-01

    Full Text Available The effects of different amounts of added Al, ranging from 1 % to 9 %, on the microstructure and properties of Mg-Al binary alloys were investigated. The results showed that when the amount of added Al is less than 5%, the grain size of the Mg-Al binary alloys decreases dramatically from 3 097 μm to 151 μm with increasing addition of Al. Further addition of Al up to 9% makes the grain size decrease slowly to 111 μm. The α-Mg dendrite arms are also refined. Increasing the amount of added Al decreases the hot cracking susceptibility of the Mg-Al binary alloys remarkably, and enhances the micro-hardness of the α-Mg matrix.

  19. Microstructure and properties of Mg-Al binary alloys

    Institute of Scientific and Technical Information of China (English)

    ZHENG Wei-chao; LI Shuang-shou; TANG Bin; ZENG Da-ben

    2006-01-01

    The effects of different amounts of added Al, ranging from 1% to 9%, on the microstructure and properties of Mg-Al binary alloys were investigated. The results showed that when the amount of added Al is less than 5%, the grain size of the Mg-Al binary alloys decreases dramatically from 3 097 μm to 151 μm with increasing addition of Al. Further addition of Al up to 9% makes the grain size decrease slowly to 111 μm. The α-Mg dendrite arms are also refined. Increasing the amount of added Al decreases the hot cracking susceptibility of the Mg-Al binary alloys remarkably, and enhances the micro-hardness of the α-Mg matrix.

  20. Front tracking in the numerical simulation of binary alloy solidification

    Science.gov (United States)

    Simpson, James Edward

    2000-12-01

    A model for directional solidification in dilute binary alloys is presented. The energy equation is solved for the temperature field, while the species equation is solved for the solute distribution. Either the vorticity-vector potential formulation or the pressure-velocity formulation is used to solve the governing equations for the velocity field. The constitutive equations are solved using a fully transient scheme. A variety of fast numerical schemes for solving sparse systems are used in the solution procedure. A single domain approach is used for the solution scheme for the energy and concentration equations. The effects of phase-change (energy equation) and solute rejection at the advancing solid/liquid interface (concentration equation) are handled via the introduction of appropriate source terms. The numerical approach was validated by comparing numerical results to data from a series of experiments of the Bridgman growth of pure succinonitrile. These experiments were performed as part of this work and are explained in detail. The numerical results agree well with the experimental data in terms of interface shape, temperature and velocity data. The key contribution of this work is the investigation of the Bridgman crystal growth of bismuth-tin in support of NASA's MEPHISTO project. The simulations reported in this work are among the first fully transient simulations of the process; no simplifying steady state approximations were used. Results are obtained for Bi-Sn alloys at a variety of initial concentrations and gravity levels. For most of the work, the solid/liquid interface temperature is assumed to be constant. For the richer alloy (Bi-1.0 at.% Sn) the results indicate that a secondary convective cell, driven by solutal gradients, forms near the interface. The magnitude of the velocities in this cell increases with time, causing increasing solute segregation at the solid/liquid interface. At lower gravity levels, convection-induced segregation is

  1. Correlation between diffusion barriers and alloying energy in binary alloys

    DEFF Research Database (Denmark)

    Vej-Hansen, Ulrik Grønbjerg; Rossmeisl, Jan; Stephens, Ifan;

    2016-01-01

    In this paper, we explore the notion that a negative alloying energy may act as a descriptor for long term stability of Pt-alloys as cathode catalysts in low temperature fuel cells.......In this paper, we explore the notion that a negative alloying energy may act as a descriptor for long term stability of Pt-alloys as cathode catalysts in low temperature fuel cells....

  2. Electrical resistivity of NaPb compound-forming liquid alloy using ab initio pseudopotentials

    Indian Academy of Sciences (India)

    Anil Thakur; N S Negi; P K Ahluwalla

    2005-08-01

    The study of electrical resistivity of compound-forming liquid alloy, NaPb, is presented as a function of concentration. Hard sphere diameters of Na and Pb are obtained through the interionic pair potentials evaluated using Troullier and Martins ab initio pseudopotential, which have been used to calculate the partial structure factors (). Considering the liquid alloy to be a ternary mixture, Ziman formula, modified for complex formation has been used for calculating resistivity of binary liquid alloys. Form factors are calculated using ab initio pseudopotentials. The results suggest that Ziman formalism, when used with ab initio pseudopotentials, are quite successful in explaining the electrical resistivity data of compound-forming binary liquid alloys.

  3. Creep Behaviour of Fe-Mn Binary Alloys

    Institute of Scientific and Technical Information of China (English)

    O. Sahin; N. Ucar

    2006-01-01

    @@ Tensile creep behaviour of fine-grained Fe-Mn binary alloys containing 0.42-1.21 wt. % Mn has been investigated in the temperature range from room temperature to 475K under 10-50 Mpa. Tensile tests are carried out with a constant cross-head speed under uniaxial load at a strain rate 10-4s-1. Stress exponent and activation energy are determined to clarify deformation mechanism. The obtained variation of steady state creep rate with respect to the applied stress for Fe-Mn binary alloys exhibits two distinct regimes at about 20 Mpa, indicating a possible change in creep mechanism. The average stress exponent is approximately 2.2, which is a characteristic of grain boundary sliding in the alloys. The activation energy for plastic flow varies from 135 to 92kJ/mol, depending on the Mn content.

  4. Magnetic properties of the binary Nickel/Bismuth alloy

    Science.gov (United States)

    Keskin, Mustafa; Şarlı, Numan

    2017-09-01

    Magnetic properties of the binary Nickel/Bismuth alloy (Ni/Bi) are investigated within the effective field theory. The Ni/Bi alloy has been modeled that the rhombohedral Bi lattice is surrounded by the hexagonal Ni lattice. According to lattice locations, Bi atoms have two different magnetic properties. Bi1 atoms are in the center of the hexagonal Ni atoms (Ni/Bi1 single layer) and Bi2 atoms are between two Ni/Bi1 bilayers. The Ni, Bi1, Bi2 and Ni/Bi undergo a second-order phase transition from the ferromagnetic phase to paramagnetic phase at Tc = 1.14. The magnetizations of the Ni/Bi alloy are observed as Bi1 > Bi2 > Ni/Bi > Ni at T < Tc; hence the magnetization of the Bi1 is dominant and Ni is at least dominant. However, the total magnetization of the Ni/Bi alloy is close to magnetization of the Ni at T < Tc. The corcivities of the Ni, Bi1, Bi2 and Ni/Bi alloy are the same with each others, but the remanence magnetizations are different. Our theoretical results of M(T) and M(H) of the Ni/Bi alloy are in quantitatively good agreement with the some experimental results of binary Nickel/Bismuth systems.

  5. Bond strength of binary titanium alloys to porcelain.

    Science.gov (United States)

    Yoda, M; Konno, T; Takada, Y; Iijima, K; Griggs, J; Okuno, O; Kimura, K; Okabe, T

    2001-06-01

    The purpose of this study was to investigate the bond strength between porcelain and experimental cast titanium alloys. Eleven binary titanium alloys were examined: Ti-Cr (15, 20, 25 wt%), Ti-Pd (15, 20, 25 wt%), Ti-Ag (10, 15, 20 wt%), and Ti-Cu (5, 10 wt%). As controls, the bond strengths for commercially pure titanium (KS-50, Kobelco, Japan) and a high noble gold alloy (KIK, Ishifuku, Japan) were also examined. Castings were made using a centrifugal casting unit (Ticast Super R, Selec Co., Japan). Commercial porcelain for titanium (TITAN, Noritake, Japan) was applied to cast specimens. The bond strengths were evaluated using a three-point bend test according to ISO 9693. Since the elastic modulus value is needed to evaluate the bond strength, the modulus was measured for each alloy using a three-point bend test. Results were analyzed using one-way ANOVA/S-N-K test (alpha = 0.05). Although the elastic moduli of the Ti-Pd alloys were significantly lower than those of other alloys (p = 0.0001), there was a significant difference in bond strength only between the Ti-25Pd and Ti-15Ag alloys (p = 0.009). The strengths determined for all the experimental alloys ranged from 29.4 to 37.2MPa, which are above the minimum value required by the ISO specification (25 MPa).

  6. Phase-field simulation of dendritic growth in a binary alloy with thermodynamics data

    Institute of Scientific and Technical Information of China (English)

    Long Wen-Yuan; Xia Chun; Xiong Bo-Wen; Fang Li-Gao

    2008-01-01

    This paper simulates the dendrite growth process during non-isothermal solidification in the A1-Cu binary alloy by using the phase-field model. The heat transfer equation is solved simultaneously. The thermodynamic and kinetic parameters are directly obtained from existing database by using the Calculation of Phase Diagram (CALPHAD)method. The effects of the latent heat and undercooling on the dendrite growth, solute and temperature profile during the solidification of binary alloy are investigated. The results indicate that the dendrite growing morphologies could be simulated realistically by linking the phase-field method to CALPHAD. The secondary arms of solidification dendritic are better developed with the increase of undercooling. Correspondingly, the tip speed and the solute segregation in solid-liquid interface increase, but the tip radius decreases.

  7. STRUCTURE OF LIQUID CESIUM LEAD ALLOYS

    NARCIS (Netherlands)

    PRICE, DL; SABOUNGI, ML; DEWIJS, GA; VANDERLUGT, W

    1993-01-01

    Neutron diffraction measurements have been made on liquid Cs-Pb alloys at the Intense Pulsed Neutron Source. Equiatomic CsPb has been shown in previous work to be a Zintl alloy with well-defined Cs4Pb4 structural units, explaining the anomalously high electrical resistivity and specific heat observe

  8. Oxidation Behavior of Binary Niobium Alloys

    Science.gov (United States)

    Barrett, Charles A.; Corey, James L.

    1960-01-01

    This investigation concludes a study to determine the effects of up to 25 atomic percent of 55 alloying additions on the oxidation characteristics of niobium. The alloys were evaluated by oxidizing in an air atmosphere for 4 hours at 1000 C and 2 hours at 1200 C. Titanium and chromium improved oxidation resistance at both evaluation conditions. Vanadium and aluminum improved oxidation resistance at 1000 C, even though the V scale tended to liquefy and the Al specimens became brittle and the scale powdery. Copper, cobalt, iron, and iridium improved oxidation resistance at 1200 C. Other investigations report tungsten and molybdenum are protective up to about 1000 C, and tantalum at 1100 C. The most important factor influencing the rate of oxidation was the ion size of the alloy additions. Ions slightly smaller than the Nb(5+) ion are soluble in the oxide lattice and tend to lower the compressive stresses in the bulk scale that lead to cracking. The solubility of the alloying addition also depends on the valence to some extent. All of the elements mentioned that improve the oxidation resistance of Nb fit this size criterion with the possible exception of Al, whose extremely small size in large concentrations would probably lead to the formation of a powdery scale. Maintenance of a crack-free bulk scale for as long as possible may contribute to the formation of a dark subscale that ultimately is rate- controlling in the oxidation process. The platinum-group metals, especially Ir, appear to protect by entrapment of the finely dispersed alloying element by the incoming Nb2O5 metal-oxide interface. This inert metallic Ir when alloyed in a sufficient amount with Yb appears to give a ductile phase dispersed in the brittle oxide. This scale would then flow more easily to relieve the large compressive stresses to delay cracking. Complex oxide formation (which both Ti and Zr tend to initiate) and valence effects, which probably change the vacancy concentration in the scale

  9. Excess compressibility in binary liquid mixtures.

    Science.gov (United States)

    Aliotta, F; Gapiński, J; Pochylski, M; Ponterio, R C; Saija, F; Salvato, G

    2007-06-14

    Brillouin scattering experiments have been carried out on some mixtures of molecular liquids. From the measurement of the hypersonic velocities we have evaluated the adiabatic compressibility as a function of the volume fraction. We show how the quadratic form of the excess compressibility dependence on the solute volume fraction can be derived by simple statistical effects and does not imply any interaction among the components of the system other than excluded volume effects. This idea is supported by the comparison of the experimental results with a well-established prototype model, consisting of a binary mixture of hard spheres with a nonadditive interaction potential. This naive model turns out to be able to produce a very wide spectrum of structural and thermodynamic features depending on values of its parameters. An attempt has made to understand what kind of structural information can be gained through the analysis of the volume fraction dependence of the compressibility.

  10. Thermodynamics and surface properties of liquid Al-Ga and Al-Ge alloys

    Energy Technology Data Exchange (ETDEWEB)

    Anusionwu, B.C. [Abdus Salam Int. Centre for Theoretical Physics, Trieste (Italy); Federal University of Technology, Department of Physics, Owerri (Nigeria); Adebayo, G.A. [Abdus Salam Int. Centre for Theoretical Physics, Trieste (Italy); University of Agriculture, Department of Physics, Abeokuta (Nigeria); Madu, C.A. [Federal University of Technology, Department of Physics, Owerri (Nigeria)

    2009-11-15

    The surface properties of Al-Ga and Al-Ge liquid alloys have been theoretically investigated at a temperature of 1100 K and 1220 K respectively. For the Al-Ga system, the quasi chemical model for regular alloy and a model for phase segregating alloy systems were applied, while for the Al-Ge system the quasi chemical model for regular and compound forming binary alloys were applied. In the case of Al-Ga, the models for the regular alloys and that for the phase segregating alloys produced the same value of order energy and same values of thermodynamic and surface properties, while for the Al-Ge system, the model for the regular alloy reproduced better the thermodynamic properties of the alloy. The model for the compound forming systems showed a qualitative trend with the measured values of the thermodynamic properties of the Al-Ge alloy and suggests the presence of a weak complex of the form Al{sub 2}Ge{sub 3}. The surface concentrations for the alloys show that Ga manifests some level of surface segregation in Al-Ga liquid alloy while the surface concentration of Ge in Al-Ge liquid alloy showed a near Roultian behavior below 0.8 atomic fraction of Ge. (orig.)

  11. Thermodynamics and surface properties of liquid Al-Ga and Al-Ge alloys

    Science.gov (United States)

    Anusionwu, B. C.; Adebayo, G. A.; Madu, C. A.

    2009-11-01

    The surface properties of Al-Ga and Al-Ge liquid alloys have been theoretically investigated at a temperature of 1100 K and 1220 K respectively. For the Al-Ga system, the quasi chemical model for regular alloy and a model for phase segregating alloy systems were applied, while for the Al-Ge system the quasi chemical model for regular and compound forming binary alloys were applied. In the case of Al-Ga, the models for the regular alloys and that for the phase segregating alloys produced the same value of order energy and same values of thermodynamic and surface properties, while for the Al-Ge system, the model for the regular alloy reproduced better the thermodynamic properties of the alloy. The model for the compound forming systems showed a qualitative trend with the measured values of the thermodynamic properties of the Al-Ge alloy and suggests the presence of a weak complex of the form Al2Ge3. The surface concentrations for the alloys show that Ga manifests some level of surface segregation in Al-Ga liquid alloy while the surface concentration of Ge in Al-Ge liquid alloy showed a near Roultian behavior below 0.8 atomic fraction of Ge.

  12. NANOMETER SUPERSTRUCTURE IN LIQUID ALKALI THALLIUM ALLOYS

    NARCIS (Netherlands)

    XU, R; VERKERK, P; HOWELLS, WS; DEWIJS, GA; VANDERHORST, F; VANDERLUGT, W

    1993-01-01

    Structure factors obtained from neutron diffraction measurements on liquid K-Tl and Cs-Tl alloys exhibit large prepeaks at approximately 0.77 angstrom-1 and 0.70 angstrom-1, respectively. It is concluded that the liquid contains large units of thallium atoms, possibly bearing some resemblance to tho

  13. Alloy hardening and softening in binary molybdenum alloys as related to electron concentration.

    Science.gov (United States)

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

    1972-01-01

    Determination of the effects of alloy additions of Hf, Ta, W, Re, Os, Ir, and Pt on the hardness of Mo. Special emphasis was placed on alloy softening in these binary Mo alloys. A modified microhardness test unit permitted hardness determinations at homologous temperatures ranging from 0.02 to 0.15, where alloy softening normally occurs in bcc alloys. Results showed that alloy softening was produced by those elements having an excess of s + d electrons compared to Mo while those elements having an equal number or fewer s + d electrons than Mo failed to produce alloy softening. The magnitude of the softening and the amount of solute element at the hardness minimum diminished rapidly with increasing test temperature. At solute concentrations where alloy softening was observed, the temperature sensitivity of hardness was lowered. For solute elements having an excess of s + d electrons or fewer s + d electrons than Mo, alloy softening and alloy hardening can be correlated with the difference in number of s + d electrons of the solute element and Mo.

  14. Thermodynamic and surface properties of Sb-Sn and In-Sn liquid alloys

    Indian Academy of Sciences (India)

    B C Anusionwu

    2006-08-01

    The thermodynamic properties of Sb-Sn and In-Sn liquid alloys have been studied using the quasi-chemical model for compound forming binary alloys and that for simple regular alloys. The concentration fluctuation cc(0) and the Warren-Cowley short-range order parameter (1) were determined for the whole concentration range at a temperature of 770 K. The surface tensions of these liquid alloys were determined for the whole concentration range by using energetics determined from thermodynamic calculations. In all calculations, In{Sn manifested properties very close to alloys of ideal mixing, while Sb-Sn showed properties that are asymmetric about equiatomic composition. Our results suggest that a weak complex of the form SbSn2 could be present in the Sb-Sn alloy at a temperature of about 770 K.

  15. Mathematical Modeling of Binary Alloy Solidification

    Directory of Open Access Journals (Sweden)

    R. Černý

    2000-01-01

    Full Text Available Te is simulated. Moving boundary conditions for temperatures are taken into account, which makes it possible to simulate the Bridgman method of crystal growth for instance. The computational experiments reveal a qualitative agreement of the numerically simulated and experimentally measured concentration fields. The influence of principal parameters of Bridgman growth and of the accuracy of material parameters is studied as well. Concerning the material parameters, the liquid/solid thermal conductivity ratio at the melting temperature is found to be the most important because it can affect the shape of the phase interface significantly, and therefore the temperature and concentration fields as well.

  16. TOPICAL REVIEW On the glass forming ability of liquid alloys

    Directory of Open Access Journals (Sweden)

    Yoshio Waseda et al

    2008-01-01

    Full Text Available By using the concepts of the short-range order (SRO and middle-range order (MRO characterizing structures, an attempt has been made to describe the glass forming ability (GFA of liquid alloys. This includes the effect of more than two kinds of SRO in the liquid caused by the addition of second and third elements to a metallic solvent. The minimum solute concentration is related to the atomic volume mismatch estimated from the cube of the atomic radius. The optimum solute concentration for good glass formability in several binary and some ternary alloys is discussed on the basis of the empirical guideline. A new approach to obtaining good GFA of liquid alloys is based on four main factors: (i formation of new SRO and coexistence of two or more kinds of SRO, (ii stabilization of dense random packing structure by restraining the atomic redistribution for initiating the nucleation and growth process, (iii formation of a stable cluster (SC or the MRO by the harmonious coupling of SROs, and (iv difference between SRO characterizing the liquid structure and the near-neighbor environment in the corresponding equilibrium crystalline phases. The use of interaction parameters, widely used in the thermodynamics of multicomponent metallic solutions, is proposed for effectively selecting the third solute element (X3 for enhancing the GFA of a metallic liquid (M containing the second solute (X2. Fe70-B20-(X310 alloys (X3=Cr, W, Nb, Zr and Hf are used for illustration. Two typical model structures denoted by the Bernal and chemical-order types are used in describing the new glass structure as a function of solute concentration.

  17. Hardness behavior of binary and ternary niobium alloys at 77 and 300 K

    Science.gov (United States)

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

    1974-01-01

    The effects of alloy additions of zirconium, hafnium, molybdenum, tungsten, rhenium, ruthenium, osmium, rhodium, and iridium on the hardness of niobium was determined. Both binary and ternary alloys were investigated by means of hardness tests at 77 K and 300 K. Results showed that atomic size misfit plays a dominant role in controlling hardness of binary niobium alloys. Alloy softening, which occurred at dilute solute additions, is most likely due to an extrinsic mechanism involving interaction between solute elements and interstitial impurities.

  18. Phase-field modeling of binary alloy solidification with coupled heat and solute diffusion.

    Science.gov (United States)

    Ramirez, J C; Beckermann, C; Karma, A; Diepers, H-J

    2004-05-01

    A phase-field model is developed for simulating quantitatively microstructural pattern formation in solidification of dilute binary alloys with coupled heat and solute diffusion. The model reduces to the sharp-interface equations in a computationally tractable thin-interface limit where (i). the width of the diffuse interface is about one order of magnitude smaller than the radius of curvature of the interface but much larger than the real microscopic width of a solid-liquid interface, and (ii). kinetic effects are negligible. A recently derived antitrapping current [Phys. Rev. Lett. 87, 115701 (2001)

  19. Magnetic susceptibilities of liquid Cr-Au, Mn-Au and Fe-Au alloys

    Energy Technology Data Exchange (ETDEWEB)

    Ohno, S.; Shimakura, H. [Niigata University of Pharmacy and Applied Life Sciences, Higashijima, Akiha-ku, Niigata 956-8603 (Japan); Tahara, S. [Faculty of Science, University of the Ryukyus, Nishihara-cho, Okinawa 903-0213 (Japan); Okada, T. [Niigata College of Technology, Kamishin’eicho, Nishi-ku, Niigata 950-2076 (Japan)

    2015-08-17

    The magnetic susceptibility of liquid Cr-Au, Mn-Au, Fe-Au and Cu-Au alloys was investigated as a function of temperature and composition. Liquid Cr{sub 1-c}Au{sub c} with 0.5 ≤ c and Mn{sub 1-c}Au{sub c} with 0.3≤c obeyed the Curie-Weiss law with regard to their dependence of χ on temperature. The magnetic susceptibilities of liquid Fe-Au alloys also exhibited Curie-Weiss behavior with a reasonable value for the effective number of Bohr magneton. On the Au-rich side, the composition dependence of χ for liquid TM-Au (TM=Cr, Mn, Fe) alloys increased rapidly with increasing TM content, respectively. Additionally, the composition dependences of χ for liquid Cr-Au, Mn-Au, and Fe-Au alloys had maxima at compositions of 50 at% Cr, 70 at% Mn, and 85 at% Fe, respectively. We compared the composition dependences of χ{sub 3d} due to 3d electrons for liquid binary TM-M (M=Au, Al, Si, Sb), and investigated the relationship between χ{sub 3d} and E{sub F} in liquid binary TM-M alloys at a composition of 50 at% TM.

  20. Essential Magnesium Alloys Binary Phase Diagrams and Their Thermochemical Data

    Directory of Open Access Journals (Sweden)

    Mohammad Mezbahul-Islam

    2014-01-01

    Full Text Available Magnesium-based alloys are becoming a major industrial material for structural applications because of their potential weight saving characteristics. All the commercial Mg alloys like AZ, AM, AE, EZ, ZK, and so forth series are multicomponent and hence it is important to understand the phase relations of the alloying elements with Mg. In this work, eleven essential Mg-based binary systems including Mg-Al/Zn/Mn/Ca/Sr/Y/Ni/Ce/Nd/Cu/Sn have been reviewed. Each of these systems has been discussed critically on the aspects of phase diagram and thermodynamic properties. All the available experimental data has been summarized and critically assessed to provide detailed understanding of the systems. The phase diagrams are calculated based on the most up-to-date optimized parameters. The thermodynamic model parameters for all the systems except Mg-Nd have been summarized in tables. The crystallographic information of the intermetallic compounds of different binary systems is provided. Also, the heat of formation of the intermetallic compounds obtained from experimental, first principle calculations and CALPHAD optimizations are provided. In addition, reoptimization of the Mg-Y system has been done in this work since new experimental data showed wider solubility of the intermetallic compounds.

  1. THE ELECTROCONDUCTIVITY OF THE LIQUID ALLOYS OF TRANSITION METALS

    Directory of Open Access Journals (Sweden)

    V.T.Shvets

    2004-01-01

    Full Text Available The concentration dependance of electroresistivity of the liquid binary alloys of transition metals Fe, Co and Ni is calculated. We considered the contribution to conductivity from the s-electrons, described within the model of nearly free electrons. The role of the partially occupied d-bands is reduced to resonance scattering of the s-electrons on d-states. The interaction of the s- and d-electrons is described by the hybridization potential of s- and d-states. The interaction with the ions, not including the partially occupied d-states, is described using the pseudopotential of the electron-ion interaction. The electroresistivity of the alloys is calculated in the second order of the perturbation theory in pseudopotential and hybridization potential. The concentration dependance of electroresistivity of the binary alloys approaches the linear regime as the resonance scattering of the s-electrons on d-states prevails over the scattering on the ions. The calculations exhibit good agreement with the experimental data.

  2. Effects of G-Jitter on Directional Solidification of a Binary Alloy

    Science.gov (United States)

    Benjapiyaporn, C.; Timchenko, V.; deVahlDavis, G.; deGroh, H. C., III

    1999-01-01

    A study of directional solidification of a weak binary alloy (specifically, Bi - 1 at% Sn) based on the fixed grid single domain approach is being undertaken. The enthalpy method is used to solve for the temperature field over the computational domain including both the solid and liquid phases; latent heat evolution is treated with the aid of an effective specific heat coefficient. A source term accounting for the release of solute into the liquid during solidification has been incorporated into the solute transport equation. The vorticity-stream function formulation is used to describe thermo-solutal convection in the liquid region. In this paper we present a numerical simulation of g-jitter. A background gravity of 1 microgram has been assumed, and new results for the effects of periodic disturbances over a range of amplitudes and frequencies on solute field and segregation have been presented.

  3. Nonlinear dynamics theory on the steady state interface pattern during solidification of a dilute binary alloy

    Institute of Scientific and Technical Information of China (English)

    王自东; 胡汉起

    1997-01-01

    The nonlinear dynamics equations of the time dependence of the perturbation amplitude of the solid/ liquid interface during unidirectional solidification of a dilute binary alloy are established. The solutions to these equations are obtained, and the condition of the initial steady state growth of the cellular and dendritic structure after the planar solid/liquid interface bifurcates (mGc> G) with the increase of the growth rate is given. The condition of the steady state growth of fine cellular and dendritic structure in the beginning after the coarse dendrites bifurcate ( mGc<Γw2 + G) under the rapid solidification is obtained. The relationship of the steady state cell and dendrite tip radius, the perturbation amplitude and wavelength at the solid/liquid interface is presented.

  4. Superconducting state parameters of indium-based binary alloys

    Indian Academy of Sciences (India)

    A M Vora; Minal H Patel; P N Gajjar; A R Jani

    2002-05-01

    Our well-recognized pseudopotential is used to investigate the superconducting state parameters viz; electron–phonon coupling strength , Coulomb pseudopotentialµ *, transition temperature c, isotope effective exponent and interaction strength 0 for the In1-Zn and In1-Sn binary alloys. We have incorporated six different types of local field correction functions, proposed by Hartree, Taylor, Vashistha–Singwi, Ichimaru–Utsumi, Farid et al and Sarkar et al to show the effect of exchange and correlation on the aforesaid properties. Very strong influence of the various exchange and correlation functions is concluded from the present study. The comparison with other such theoretical values is encouraging, which confirms the applicability of our model potential in explaining the superconducting state parameters of binary mixture.

  5. Boriding of Binary Ni-Ti Shape Memory Alloys

    Science.gov (United States)

    Ucar, Nazim; Dogan, Sule; Karakas, Mustafa Serdar; Calik, Adnan

    2016-11-01

    Boriding of binary Ni-Ti shape memory alloys was carried out in a solid medium at 1273 K for 2, 4, 6, and 8 h using the powder pack method with proprietary Ekabor-Ni powders. Characterization of the boride layer formed on the surface of alloys was done by optical microscopy and scanning electron microscopy. The presence of boride, silicide, and borosilicide phases in the boride layers was confirmed by X-ray diffraction analysis. The thickness and microhardness of the boride layers increased with increasing boriding time. Hardness profiles showed a rapid decrease in hardness moving from the boride layer to the main structure. The high hardness of the boride layer was attributed mainly to the formation of TiB2. A parabolic relationship was observed between layer thickness and boriding time, and the growth rate constant for the boriding treatment was calculated as 0.62×10-8 cm2 s-1.

  6. Critical adsorption on defects in ising magnets and binary alloys

    Science.gov (United States)

    Hanke

    2000-03-06

    Long-range correlations in a magnet close to its critical point or in a binary alloy close to a continuous order-disorder transition can substantially enhance the effect of local perturbations. It is demonstrated using a position-space renormalization procedure that quasi-one-dimensional defects which break the symmetry of the order parameter have pronounced effects: They cause long-range critical adsorption profiles and give rise to new universal critical exponents, which are identified and calculated using field-theoretical methods.

  7. Critical Adsorption on Defects in Ising Magnets and Binary Alloys

    Science.gov (United States)

    Hanke, Andreas

    2000-03-01

    Long-range correlations in a magnet close to its critical point or in a binary alloy close to a continuous order-disorder transition can substantially enhance the effect of local perturbations. It is demonstrated using a position-space renormalization procedure that quasi-one-dimensional defects which break the symmetry of the order parameter have pronounced effects: They cause long-range critical adsorption profiles and give rise to new universal critical exponents, which are identified and calculated using field-theoretical methods.

  8. Phase-field simulation of dendritic growth for binary alloys with complicate solution models

    Institute of Scientific and Technical Information of China (English)

    LI Xin-zhong; GUO Jing-jie; SU Yan-qing; WU Shi-ping; FU Heng-zhi

    2005-01-01

    A phase-field method for simulation of dendritic growth in binary alloys with complicate solution models was studied. The free energy densities of solid and liquid used to construct the free energy of a solidification system in the phase-field model were derived from the Calphad thermodynamic modeling of phase diagram. The dendritic growth of Ti-Al alloy with a quasi-sub regular solution model was simulated in both an isothermal and a nonisothermal regime. In the isothermal one, different initial solute compositions and melt temperatures were chosen.And in the non-isothermal one, release of latent heat during solidification was considered. Realistic growth patterns of dendrite are derived. Both the initial compositions and melt temperatures affect isothermal dendritic morphology and solute distributions much, especially the latter. Release of latent heat will cause a less developed structure of dendrite and a lower interfacial composition.

  9. Liquid-liquid equilibria for binary and ternary polymer solutions with PC-SAFT

    DEFF Research Database (Denmark)

    Lindvig, Thomas; Michelsen, Michael Locht; Kontogeorgis, Georgios

    2004-01-01

    Two algorithms for evaluating liquid-liquid equilibria (LLE) for binary and ternary polymer solutions are presented. The binary algorithm provides the temperature versus concentration cloud-point curve at fixed pressure, whereas the ternary algorithm provides component 1 versus component 2...

  10. THERMODYNAMICS OF BINARY ALLOYS OF PHARMACEUTICAL ACTIVE IMIDAZOLE WITH O- PHENYLENEDIAMINE

    Directory of Open Access Journals (Sweden)

    Shekhar H.

    2012-04-01

    Full Text Available The present study describes the investigation of eutectic and non-eutectic alloys of imidazole (IM with o - Phenylenediamine (OPD. the solid-liquid equilibrium (SLE data determined by thaw melt method in the form of melting temperature with their corresponding composition construct the solid-liquid equilibrium phase diagram which suggests simple eutectic behaviour is followed by the binary system. The activity co-efficient model based on enthalpy of fusion was employed to calculate the excess partial and integral thermodynamic functions such as gE, hE and sE. These values help to predict the nature of molecular interaction, ordering and stability between the components. The spontaneity of mixing of eutectic and non eutectic alloys was discussed by the partial and integral mixing quantities ∆GM, ∆HM and ∆SM. Using Gibbs-Duhem equation the solution of partial molar heat of mixing, activity and activity coefficient of the component in the binary mix have been resolved.

  11. Calculation of the thermodynamic properties of liquid Ag–In–Sb alloys

    Directory of Open Access Journals (Sweden)

    DRAGANA ZIVKOVIC

    2006-03-01

    Full Text Available The results of calculations of the thermodynamic properties of liquid Ag–In–Sb alloys are presented in this paper. The Redlich–Kister–Muggianu model was used for the calculations. Based on known thermodynamic data for constitutive binary systems and available experimental data for the investigated ternary system, the ternary interaction parameter for the liquid phase in the temperature range 1000–1200 K was determined. Comparison between experimental and calculated results showed their good mutual agreement.

  12. Numerical study of the influence of an applied electrical potential on the solidification of a binary metal alloy

    OpenAIRE

    Nikrityuk, P. A.; Eckert, K.; Grundmann, R

    2007-01-01

    In this work we study numerically the influence of a homogeneous electrical field on the fluid and heat transfer phenomena at macroscale and mesoscale during unidirectional solidification of a binary metal alloy. The numerical results showed that a pulse electric discharging applied perpendicularly to the solidification front leads to a much stronger Joule heating of the liquid phase in comparison to the solid phase. It was found that on the mesoscopic scale the electric current density is no...

  13. Determination of thermodynamic properties of aluminum based binary and ternary alloys

    Energy Technology Data Exchange (ETDEWEB)

    Altıntas, Yemliha [Abdullah Gül University, Faculty of Engineering, Department of Materials Science and Nanotechnology, 38039, Kayseri (Turkey); Aksöz, Sezen [Nevşehir Hacı Bektaş Veli University, Faculty of Arts and Science, Department of Physics, 50300, Nevşehir (Turkey); Keşlioğlu, Kâzım, E-mail: kesli@erciyes.edu.tr [Erciyes University, Faculty of Science, Department of Physics, 38039, Kayseri (Turkey); Maraşlı, Necmettin [Yıldız Technical University, Faculty of Chemical and Metallurgical Engineering, Department of Metallurgical and Materials Engineering, 34210, Davutpaşa, İstanbul (Turkey)

    2015-11-15

    In the present work, the Gibbs–Thomson coefficient, solid–liquid and solid–solid interfacial energies and grain boundary energy of a solid Al solution in the Al–Cu–Si eutectic system were determined from the observed grain boundary groove shapes by measuring the thermal conductivity of the solid and liquid phases and temperature gradient. Some thermodynamic properties such as the enthalpy of fusion, entropy of fusion, the change of specific heat from liquid to solid and the electrical conductivity of solid phases at their melting temperature were also evaluated by using the measured values of relevant data for Al–Cu, Al–Si, Al–Mg, Al–Ni, Al–Ti, Al–Cu–Ag, Al–Cu–Si binary and ternary alloys. - Highlights: • The microstructure of the Al–Cu–Si eutectic alloy was observed through SEM. • The three eutectic phases (α-Al, Si, CuAl{sub 2}) have been determined by EDX analysis. • Solid–liquid and solid–solid interfacial energies of α-Al solution were determined. • ΔS{sub f},ΔH{sub M}, ΔC{sub P}, electrical conductivity of solid phases for solid Al solutions were determined. • G–T coefficient and grain boundary energy of solid Al solution were determined.

  14. Nitriding behavior of Ni and Ni-based binary alloys

    Energy Technology Data Exchange (ETDEWEB)

    Fonovic, Matej

    2015-01-15

    precipitate-free microstructure known as expanded austenite or S-phase, which can enhance surface hardness, fatigue properties and corrosion properties.Nitriding of multicomponent Ni-based alloys is usually applied in the industry. Nevertheless, the understanding of nitriding is mostly based on phenomenological research and experience. Thereby there is still absence of complete understanding of nitriding of Ni-based alloys, which requires further detailed investigations. Since studying the nitrided multicomponent alloys is complicated, in this thesis fundamental investigations were performed on pure nickel and binary Ni-based model alloys.This thesis focuses on the nitriding behavior of pure nickel, which will result with an thermodynamic evaluation of the Ni-N system. Furthermore, deeper insights in the nitriding behavior of the binary Ni-based alloys is obtained upon nitriding Ni-4 wt.% Ti and Ni-2 wt.% Ti (Ni-5 at.% Ti and Ni-2.5 at.% Ti) alloys. Thereby, the development of large residual macrostresses parallel to the surface of the specimen is related with the N concentration gradient in the nitrided zone.

  15. Point Defects in Binary Laves-Phase Alloys

    Energy Technology Data Exchange (ETDEWEB)

    Liaw, P.K.; Liu, C.T.; Pike, L.M.; Zhu, J.H.

    1999-01-11

    Point defects in the binary C15 NbCrQ and NbCoz, and C 14 NbFe2 systems on both sides of stoichiometry were studied by both bulk density and X-ray Iattiee parameter measurements. It was found that the vacancy concentrations in these systems after quenching from 1000"C are essentially zero. The constitutional defects on both sides of stoichiometry for these systems were found to be of the anti-site type in comparison with the model predictions. Thermal vacancies exhibiting a maximum at the stoichiometric composition were obtained in NbCr2 Laves phase alloys after quenching from 1400"C. However, there are essentially no thermal vacancies in NbFe2 alloys after quenching from 1300oC. Anti-site hardening was found on both sides of stoichiometry for all the tie Laves phase systems studied, while the thermal vacancies in NbCr2 alloys quenched from 1400'C were found to soften the Laves phase. The anti-site hardening of the Laves phases is similar to that of the B2 compounds and the thermal vacancy softening is unique to the Laves phase. Neither the anti-site defects nor the thermal vacancies affect the fracture toughness of the Laves phases significantly.

  16. Numerical simulation of dendrite growth and microsegregation formation of binary alloys during solidification process

    Institute of Scientific and Technical Information of China (English)

    Li Qiang; Guo Qiao-Yi; Li Rong-De

    2006-01-01

    The dendrite growth and solute microsegregation of Fe-C binary alloy are simulated during solidification process by using cellular automaton method.In the model the solid fraction is deduced from the relationship among the temperature,solute concentration and curvature of the solid/liquid interface unit,which can be expressed as a quadric equation,instead of assuming the interface position and calculating the solid fraction from the interface velocity.Then by using this model a dendrite with O and 45 degree of preferential growth direction are simulated respectively.Furthermore,a solidification microstructure and solute microsegregation are simulated by this method. Finally,different GibbsThomson coefficient and liquid solute diffusing coefficient are adopted to investigate their influences on the morphology of dendrite.

  17. A generalized model on the evaluation of entropy and entropy of mixing of liquid Na-Sn alloys

    Science.gov (United States)

    Satpathy, Alok; Sengupta, Saumendu

    2017-01-01

    Recently proposed theory of entropy of mixing of the structurally inhomogeneous binary liquid alloys of alkali metals and group-IV elements is applied successfully to the liquid Na-Sn alloy. This alloy indicates chemical short range ordering (CSRO) i.e. exhibits partially salt like characteristics due to strong tendencies to compound formation, in the solid as well as in the liquid state. So, the generalized model for entropy of charged-hard-spheres mixture of arbitrary charge and size is employed to evaluate entropies of mixing, treating the sample as partially charge transfer system. The computed entropies of mixing are in excellent agreement with the experimental data.

  18. Electrochemical characterization of cast Ti-Hf binary alloys.

    Science.gov (United States)

    Cai, Z; Koike, M; Sato, H; Brezner, M; Guo, Q; Komatsu, M; Okuno, O; Okabe, T

    2005-05-01

    This study characterized the electrochemical behavior of Ti-Hf binary alloys in a simulated oral environment. Ti-Hf alloys (10, 20, 25, 30, 35 and 40 mass% Hf) were prepared by arc-melting titanium sponge and hafnium sponge. Specimens of each alloy (n = 4) were prepared using a dental titanium casting system with a MgO-based investment. Specimens were inspected with X-ray radiography to ensure minimal internal porosity. Castings (n = 4) made from pure titanium and commercially pure titanium were used as controls. The ground flat surface (10 mm x 10 mm) on each specimen where approximately 30 microm was removed was used for the characterization. Sixteen-hour open-circuit potential (OCP) measurement, linear polarization and potentiodynamic cathodic polarization were performed sequentially in aerated (air + 10% CO2) MTZ synthetic saliva at 37 degrees C. Potentiodynamic anodic polarization was conducted in the same medium but deaerated (N2 + 10% CO2) 2 h before and during testing. Polarization resistance (R(P)) and Tafel slopes were determined, as were corrosion current density (I(CORR)) and passive current density (I(PASS)). Results were subjected to nonparametric statistical analysis (alpha = 0.05). The OCP stabilized (mean values -229 mV to -470 mV vs. SCE) for all specimens after the 16-h immersion. Similar passivation was observed for all the metals on their anodic polarization diagrams. The Kruskal-Wallis test showed significant differences in OCP among the test groups (p = 0.006). No significant differences were found in R(P), I(CORR) or I(PASS) among all the metals (p>0.3). Results indicate that the electrochemical behavior of the Ti-Hf alloys examined resembles that of pure titanium.

  19. Heat capacity singularity of binary liquid mixtures at the liquid-liquid critical point.

    Science.gov (United States)

    Méndez-Castro, Pablo; Troncoso, Jacobo; Peleteiro, José; Romaní, Luis

    2013-10-01

    The critical anomaly of the isobaric molar heat capacity for the liquid-liquid phase transition in binary nonionic mixtures is explained through a theory based on the general assumption that their partition function can be exactly mapped into that of the Ising three-dimensional model. Under this approximation, it is found that the heat capacity singularity is directly linked to molar excess enthalpy. In order to check this prediction and complete the available data for such systems, isobaric molar heat capacity and molar excess enthalpy near the liquid-liquid critical point were experimentally determined for a large set of binary liquid mixtures. Agreement between theory and experimental results-both from literature and from present work-is good for most cases. This fact opens a way for explaining and predicting the heat capacity divergence at the liquid-liquid critical point through basically the same microscopic arguments as for molar excess enthalpy, widely used in the frame of solution thermodynamics.

  20. Simulation of shrinkage cavity formation during solidification of binary alloy

    Directory of Open Access Journals (Sweden)

    T. Skrzypczak

    2010-01-01

    Full Text Available Presented paper is focused on numerical modeling of binary alloy solidification process with connection to shrinkage cavity formation phenomenon. Appropriate matching of cooling parameters during solidification process of the cast with raiser is essential to obtain suitable properties of the manufactured part. Localization, structure and depth of the shrinkage cavity is connected to these parameters. The raiser is removed after process, so defect localization in the top part of the manufactured element is of great importance. Mathematical model of solidification process is presented in the paper. The main focus is put on the algorithm of shrinkage cavity creation process. On the basis of mathematical model the numerical approach using finite element method is proposed. On the base of mathematical and numerical model computer program is made. It is able to perform simulation of the shrinkage cavity formation in 2D region. Shape and localization of shrinkage cavity obtained from simulation is compared to defect which was created during experiment.

  1. Disjoining potential and grain boundary premelting in binary alloys

    Science.gov (United States)

    Hickman, J.; Mishin, Y.

    2016-06-01

    Many grain boundaries (GBs) in crystalline materials develop highly disordered, liquidlike structures at high temperatures. In alloys, this premelting effect can be fueled by solute segregation and can occur at lower temperatures than in single-component systems. A premelted GB can be modeled by a thin liquid layer located between two solid-liquid interfaces interacting by a disjoining potential. We propose a single analytical form of the disjoining potential describing repulsive, attractive, and intermediate interactions. The potential predicts a variety of premelting scenarios, including thin-to-thick phase transitions. The potential is verified by atomistic computer simulations of premelting in three different GBs in Cu-Ag alloys employing a Monte Carlo technique with an embedded atom potential. The disjoining potential has been extracted from the simulations by analyzing GB width fluctuations. The simulations confirm all shapes of the disjoining potential predicted by the analytical model. One of the GBs was found to switch back and forth between two (thin and thick) states, confirming the existence of thin-to-thick phase transformations in this system. The proposed disjoining potential also predicts the possibility of a cascade of thin-to-thick transitions caused by compositional oscillations (patterning) near solid-liquid interfaces.

  2. Solid/liquid interfacial free energies in binary systems

    Science.gov (United States)

    Nason, D.; Tiller, W. A.

    1973-01-01

    Description of a semiquantitative technique for predicting the segregation characteristics of smooth interfaces between binary solid and liquid solutions in terms of readily available thermodynamic parameters of the bulk solutions. A lattice-liquid interfacial model and a pair-bonded regular solution model are employed in the treatment with an accommodation for liquid interfacial entropy. The method is used to calculate the interfacial segregation and the free energy of segregation for solid-liquid interfaces between binary solutions for the (111) boundary of fcc crystals. The zone of compositional transition across the interface is shown to be on the order of a few atomic layers in width, being moderately narrower for ideal solutions. The free energy of the segregated interface depends primarily upon the solid composition and the heats of fusion of the component atoms, the composition difference of the solutions, and the difference of the heats of mixing of the solutions.

  3. MICRO-DESCRIPTION OF THE SOLUTE-FIELD AND THE PHASE-FIELD MODEL FOR ISOTHERMAL PHASE TRANSITION IN BINARY ALLOYS

    Institute of Scientific and Technical Information of China (English)

    H.M. Ding; L.L. Chen; R.X. Liu

    2004-01-01

    A new phase field method for two-dimensional simulations of binary alloy solidification was studied. A model basing on solute conservative in every unit was developed for solving the solute diffusion equation during solidification. Two-dimensional computations were performed for ideal solutions and Ni-Cu dendritic growth into an isothermal and highly supersaturated liquid phase.

  4. Measurement of Activity of Indium in Liquid Bi-In-Sn Alloys by EMF Method

    Science.gov (United States)

    Kumar, M. R.; Mohan, S.; Behera, C. K.

    2016-08-01

    The electrochemical technique based on a molten salt electrolyte galvanic cell has been used to measure the activity of indium in liquid Bi-In-Sn alloys in the temperature range of 723 K to 855 K along three ternary sections. The activity of tin in Bi-Sn binary alloys has also been measured by the same technique in the above temperature range. The activity of indium in Bi-In-Sn alloys shows negative deviation from Raoult's law for most of the compositions and slight positive deviations for a few indium-rich compositions. The ternary excess molar free energies have been calculated by Darken's treatment. Isoactivity curves at 813 K in the ternary Bi-In-Sn alloys were derived by combining the activity data of In-Sn and Bi-In alloys. The values of excess molar free energy obtained in this study are compared with those calculated from the Muggianu model at 813 K.

  5. Boriding of binary Ni-Ti shape memory alloys

    Energy Technology Data Exchange (ETDEWEB)

    Ucar, Nazim; Dogan, Sule [Suleyman Demirel Univ., Isparta (Turkey). Physics Dept.; Karakas, Mustafa Serdar [Cankaya Univ., Ankara (Turkey). Materials Science and Engineering Dept.; Calik, Adnan [Suleyman Demirel Univ., Isparta (Turkey). Manufacturing Engineering Dept.

    2016-07-01

    Boriding of binary Ni-Ti shape memory alloys was carried out in a solid medium at 1273 K for 2, 4, 6, and 8 h using the powder pack method with proprietary Ekabor-Ni powders. Characterization of the boride layer formed on the surface of alloys was done by optical microscopy and scanning electron microscopy. The presence of boride, silicide, and borosilicide phases in the boride layers was confirmed by X-ray diffraction analysis. The thickness and microhardness of the boride layers increased with increasing boriding time. Hardness profiles showed a rapid decrease in hardness moving from the boride layer to the main structure. The high hardness of the boride layer was attributed mainly to the formation of TiB{sub 2}. A parabolic relationship was observed between layer thickness and boriding time, and the growth rate constant for the boriding treatment was calculated as 0.62 x 10{sup -8} cm{sup 2}s{sup -1}.

  6. Point Defects in Binary Laves-Phase Alloys

    Energy Technology Data Exchange (ETDEWEB)

    Liaw, P.K.; Liu, C.T.; Pike, L.M.; Zhu, J.H.

    1998-11-30

    Point defect mechanisms in the binary C15 NbCr{sub 2} and NbCo{sub 2}, and C14 NbFe{sub 2} systems on both sides of stoichiometry was studied and clarified by both bulk density and X-ray lattice parameter measurements. It was found that the vacancy concentrations in these systems after quenching from 1000 C are essentially zero. The constitutional defects on both sides of stoichiometry for these systems were found to be of the anti-site type in comparison with the model predictions. However, thermal vacancies exhibiting a maximum at the stoichiometric composition were obtained in NbCr{sub 2} laves phase alloys after quenching from 1400 C. These could be completely eliminated by annealing at 1000 C. Anti-site hardening was found on both sides of stoichiometry for all three Laves phase systems studied. Furthermore, the thermal vacancies in NbCr{sub 2} alloys after quenching from 1400 C were found to soften the Laves phase. The anti-site hardening of the Laves phases is similar to that of the B2 compounds, while the thermal vacancy softening is unique to the Laves phase. Both the anti-site defects and thermal vacancies do not significantly affect the fracture toughness of the Laves phases.

  7. Evaporation of Ethanol-Water Binary Mixture Sessile Liquid Marbles.

    Science.gov (United States)

    Ooi, Chin Hong; Bormashenko, Edward; Nguyen, Anh V; Evans, Geoffrey M; Dao, Dzung V; Nguyen, Nam-Trung

    2016-06-21

    Liquid marble is a liquid droplet coated with particles. Recently, the evaporation process of a sessile liquid marble using geometric measurements has attracted great attention from the research community. However, the lack of gravimetric measurement limits further insights into the physical changes of a liquid marble during the evaporation process. Moreover, the evaporation process of a marble containing a liquid binary mixture has not been reported before. The present paper investigates the effective density and the effective surface tension of an evaporating liquid marble that contains aqueous ethanol at relatively low concentrations. The effective density of an evaporating liquid marble is determined from the concurrent measurement of instantaneous mass and volume. Density measurements combined with surface profile fitting provide the effective surface tension of the marble. We found that the density and surface tension of an evaporating marble are significantly affected by the particle coating.

  8. Hardness behavior of binary and ternary niobium alloys at 77 and 300 K

    Science.gov (United States)

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

    1975-01-01

    An investigation was conducted to determine the effects of alloy additions of zirconium, hafnium, molybdenum, tungsten, rhenium, ruthenium, osmium, rhodium, and iridium on the hardness of niobium. Both binary and ternary alloys were investigated by means of hardness tests at 77 and 300 K. Results showed that atomic size misfit plays a dominant role in controlling the hardness of binary niobium alloys. Alloy softening, which occurred at dilute solute additions, is most likely due to an extrinsic mechanism involving interaction between solute elements and interstitial impurities.

  9. Hopping in a supercooled binary Lennard-Jones liquid

    DEFF Research Database (Denmark)

    Schrøder, Thomas; Dyre, Jeppe

    1998-01-01

    A binary Lennard–Jones liquid has been investigated by molecular dynamics at equilibrium supercooled conditions. At the lowest temperature investigated, hopping is present in the system as indicated by a secondary peak in 4r2Gs(r,t), where Gs(r,t) is the van Hove self correlation function...

  10. ThermoCalc Application for the Assessment of Binary Alloys Non-Equilibrium Solidification

    Directory of Open Access Journals (Sweden)

    Zyska A.

    2017-03-01

    Full Text Available The paper presents the possibility of application of the developed computer script which allows the assessment of non-equilibrium solidification of binary alloys in the ThermoCalc program. The script makes use of databases and calculation procedures of the POLY-3 module. A solidification model including diffusion in the solid state, developed by Wołczyński, is used to describe the non-equilibrium solidification. The model takes into account the influence of the degree of solute segregation on the solidification process by applying the so-called back-diffusion parameter. The core of the script is the iteration procedure with implemented model equation. The possibility of application of the presented calculation method is illustrated on the example of the Cr-30% Ni alloy. Computer simulations carried out with use of the developed script allow to determine the influence of the back-diffusion parameter on the course of solidification curves, solidus temperature, phase composition of the alloy and the fraction of each phase after the solidification completion, the profile of solute concentration in liquid during solidification process, the average solute concentration in solid phase at the eutectic temperature and many other quantities which are usually calculated in the ThermoCalc program.

  11. Estimating the Eutectic Composition of Simple Binary Alloy System Using Linear Geometry

    Directory of Open Access Journals (Sweden)

    Muhammed Olawale Hakeem AMUDA

    2008-06-01

    Full Text Available A simple linear equation was developed and applied to a hypothetical binary equilibrium diagram to evaluate the eutectic composition of the binary alloy system. Solution of the equations revealed that the eutectic composition of the case study Pb – Sn, Bi – Cd and Al – Si alloys are 39.89% Pb, 60.11% Sn, 58.01% Bi, 41.99% Cd and 90.94% Al, 9.06% Si respectively. These values are very close to experimental values. The percent deviation of analytical values from experimental values ranged between 2.87 and 5% for the three binary systems considered, except for Si – Al alloy in which the percent deviation for the silicon element was 22%.It is concluded that equation of straight line could be used to predict the eutectic composition of simple binary alloys within tolerable experimental deviation range of 2.5%.

  12. Fabrication methods and applications of microstructured gallium based liquid metal alloys

    Science.gov (United States)

    Khondoker, M. A. H.; Sameoto, D.

    2016-09-01

    This review contains a comparative study of reported fabrication techniques of gallium based liquid metal alloys embedded in elastomers such as polydimethylsiloxane or other rubbers as well as the primary challenges associated with their use. The eutectic gallium-indium binary alloy (EGaIn) and gallium-indium-tin ternary alloy (galinstan) are the most common non-toxic liquid metals in use today. Due to their deformability, non-toxicity and superior electrical conductivity, these alloys have become very popular among researchers for flexible and reconfigurable electronics applications. All the available manufacturing techniques have been grouped into four major classes. Among them, casting by needle injection is the most widely used technique as it is capable of producing features as small as 150 nm width by high-pressure infiltration. One particular fabrication challenge with gallium based liquid metals is that an oxide skin is rapidly formed on the entire exposed surface. This oxide skin increases wettability on many surfaces, which is excellent for keeping patterned metal in position, but is a drawback in applications like reconfigurable circuits, where the position of liquid metal needs to be altered and controlled accurately. The major challenges involved in many applications of liquid metal alloys have also been discussed thoroughly in this article.

  13. PREDICTION ON THE THERMODYNAMIC PROPERTIES OF TERNARY LIQUID ALLOYS BY MODIFIED COORDINATION EQUATION

    Institute of Scientific and Technical Information of China (English)

    D.P.Tao

    2001-01-01

    The coordination numbers in the Molecular Interaction Volume Model can be calcu-lated from the common physical quantities of pure matters.A significant advantage ofthe model lies in its ability to predict the thermodynamic properties of ternary liqmdalloys using only the binary infinite dilute activity coefficients,and the predicted values are in good agreement with the experimental data of ternary liquid alloys,whichshows that the model is reliable,convenient and economic.

  14. 液态Pb-Cu合金结构与扩散性质的分子动力学模拟%Molecular Dynamics Simulation on Structural and Transport Properties of Binary Liquid Pb-Cu Alloy

    Institute of Scientific and Technical Information of China (English)

    刘媛媛; 贾国斌; 杨斌; 刘大春

    2011-01-01

    通过分子动力学方法模拟液态Pb-Cu合金的熔体结构,得到液态合金的对相关函数曲线、配位数和相关半径,并用于分析合金熔体内部的结构.同时将NRTL方程与分子动力学方法结合,提出一种计算合金互扩散系数的新方法,使用该方法计算得到了Pb-Cu合金的自扩散与互扩散系数,并分析了熔体结构对合金扩散性质的影响.%The structure of binary Pb-Cu liquid was studied using molecular dynamics simulation method. The pair distribution function, coordination number and coordination radius were calculated to analyze the melt structure. By combining the molecular dynamics method and NRTL equation, a new method of computing the mutual diffusion coefficients was obtained. The self and mutual diffusion coefficients of Pb-Cu melt were computed with this method. Moreover the effect of the melt structure on diffusion coefficients was analyzed.

  15. Surface and transport properties of Cu-Sn-Ti liquid alloys

    Institute of Scientific and Technical Information of China (English)

    R. Novakovic; E. Ricci; S. Amore; T. Lanata

    2006-01-01

    The lack of experimental data and / or limited experimental information concerning both surface and transport properties of liquid alloys often require the prediction of these quantities. An attempt has been made to link the thermophysical properties of a ternary Cu-Sn-Ti system and its binary Cu-Sn, Cu-Ti and Sn-Ti subsystems with the bulk through the study of the concentration dependence of various thermodynamic, structural, surface and dynamic properties in the frame of the statistical mechanical theory in conjunction with the quasi-lattce theory (QLT). This formalism provides valuable qualitative insight into mixing processes that occur in molten alloys.

  16. Correlation of liquid-liquid equilibria of non-ideal binary systems by NRTL model

    Directory of Open Access Journals (Sweden)

    Grozdanić Nikola D.

    2013-01-01

    Full Text Available Non Random Two Liquid model (NRTL with three different forms of temperature dependant parameters was used to correlate the liquid - liquid equilibrium data for systems of alcohols with alkanes, and alcohols with two ionic liquids: 1-butyl-2,3-dimethylimidazolium tetrafluoroborate ([bmmim][BF4] and 1-butyl-3-ethylimidazolium tetrafluoroborate ([beim][BF4]. Different temperature dependences of NRTL parameters were tested on thirteen literature experimental liquid - liquid equilibrium data for binary systems. [Projekat Ministarstva nauke Republike Srbije, br. 172063

  17. Thermodynamic and structural properties of liquid Al-Au alloys

    Science.gov (United States)

    Olajire, B. A.; Musari, A. A.

    2017-08-01

    The mixing properties of liquid Al-Au alloys with respect to the concentration of each constituent is determined using a method based on hard sphere system and pseudo-potential perturbation. These models were used to get relevant information on mixing properties of the Al-Au alloys like the Gibbs energy and the entropy of mixing. The concentration fluctuations, chemical short range order for the hard sphere mixture (quasi-lattice theory) and the activity are calculated to know the extent of order in the liquid alloys. The results revealed that there is a degree of ordering in liquid Al-Au alloy (hetero-coordinated).

  18. The mechanism of corrosion of palladium-silver binary alloys in artificial saliva.

    Science.gov (United States)

    Joska, L; Marek, M; Leitner, J

    2005-05-01

    Palladium dental casting alloys are alternatives to gold alloys. The aim of this study was to determine the electrochemical behaviour and the corrosion mechanism of binary silver-palladium alloys. Seven binary silver-palladium alloys and pure palladium and silver were tested in a model saliva solution. Electrochemical tests included corrosion potential, polarization resistance, and potentiodynamic polarization measurements. The corrosion products, which may be theoretically formed, were determined by thermodynamic calculation. The behaviour of silver and silver-rich alloys was dominated by the preferential formation of a thiocyanate surface layer, which controlled the free corrosion potential. Palladium dissolved in the form of a thiocyanate complex, but the surface became passivated by either palladium oxide or solid palladium thiocyanate layer, the thermodynamic calculations indicating preference for the oxide. Palladium-rich alloys showed evidence of silver depletion of the surface, resulting in behaviour similar to palladium. Examination of binary silver-palladium alloys has made possible determination of the role of the components of the alloys and model saliva in the corrosion behaviour. The findings are applicable to the more complex commercial dental alloys containing silver and palladium as major components.

  19. Effect of g-jitter on Directional Solidification of a Binary Alloy

    Science.gov (United States)

    Santiviriyapanich, P.; Benjapiyaporn, C.; Timchenko, V.; deVahlDavis, G.; Leonardi, E.; deGroh, H. C., III

    2000-01-01

    A study of directional solidification of a weak binary alloy (specifically, Bi - 1 at% Sn) based on the fixed grid single domain approach is being undertaken. The enthalpy method is used to solve for the temperature field over the computational domain including both the solid and liquid phases; latent heat evolution is treated with the aid of an effective specific heat coefficient. A source term accounting for the release of solute into the liquid during solidification has been incorporated into the solute transport equation. The vorticity-stream function formulation is used to describe thermosolutal convection in the liquid region. In this paper we present a numerical simulation of g-jitter: the small, rapid fluctuations in gravitational acceleration which may be experienced in an orbiting space vehicle. A background gravity of 1 micro-g has been assumed, and new results for the effects of orientation angle of the periodic disturbances over a range of amplitudes and frequencies on solute field and segregation have been presented.

  20. Comparative analysis of high temperature strength of platinum and its binary alloys with low content of alloying element

    Directory of Open Access Journals (Sweden)

    Stanković Draško S.

    2012-01-01

    Full Text Available The comparative analysis of platinum and its binary alloys (containing alloying elements up to 10 mass% mechanical properties at high temperatures has been carried out. The goal of the analysis was to investigate new application possibilities for products based on platinum and platinum alloys, and to expand the existing database of platinum metals, originating from the RTB group, Serbia. Palladium, rhodium, ruthenium, iridium and gold were used as alloying elements. In order to examine the effect of alloying elements’ low concentrations on the high-temperature platinum durability, creep rate, rupture time, tensile strength and relative elongation at high temperatures, up to 1400 °C, were determined. In addition, changes in the structure of dislocations were tracked. The summary of investigation results led to conclusion that, of all the alloying elements used, the best influence on high-temperature platinum durability has rhodium.

  1. Ultrasonic study on organic liquid and binary organic liquid mixtures by using Schaaffs' collision factor theory

    Institute of Scientific and Technical Information of China (English)

    Lu Yi-Gang; Dong Yan-Wu

    2006-01-01

    Based on Schaaff's collision factor theory (CFT) in liquids, the equations for nonlinear ultrasonic parameters in both organic liquid and binary organic liquid mixtures are deduced. The nonlinear ultrasonic parameters, including pressure coefficient, temperature coefficients of ultrasonic velocity, and nonlinear acoustic parameter B/A in both organic liquid and binary organic liquid mixtures, are evaluated for comparison with the measured results and data from other sources. The equations show that the coefficient of ultrasonic velocity and nonlinear acoustic parameter B/A are closely related to molecular interactions. These nonlinear ultrasonic parameters reflect some information of internal structure and outside status of the medium or mixtures. From the exponent of repulsive forces of the molecules,several thermodynamic parameters, pressure and temperature of the medium, the nonlinear ultrasonic parameters and ultrasonic nature of the medium can be evaluated. When evaluating and studying nonlinear acoustic parameter B/A of binary organic liquid mixtures, there is no need to know the nonlinear acoustic parameter B/A of the components.Obviously, the equation reveals the connection between the nonlinear ultrasonic nature and internal structure and outside status of the mixtures more directly and distinctly than traditional mixture law for B/A, e.g. Apfel's and Sehgal's laws for liquid binary mixtures.

  2. Evaporation of a binary liquid film by forced convection

    Directory of Open Access Journals (Sweden)

    Nasr Abdelaziz

    2011-01-01

    Full Text Available This paper deals with a numerical analysis of the evaporation of a thin binary liquid film by forced convection inside a channel constituted by two parallel plates. The first plate is externally insulated and wetted by a thin water ethylene glycol film while the second is dry and isothermal. The liquid mixture consists of water (the more volatile component and ethylene glycol while the gas mixture has three components: dry air, water vapour and ethylene-glycol vapour. The set of non linear and coupled equations expressing the conservation of mass, momentum, energy and species in the liquid and gas mixtures is solved numerically using a finite difference method. Results concerns with the effects of inlet ambience conditions and the inlet liquid concentration of ethylene glycol on the distribution of the temperature, concentrations profiles and the axial variation of the evaporation rate of species i.

  3. Liquid uranium alloy-helium fission reactor

    Science.gov (United States)

    Minkov, V.

    1984-06-13

    This invention describes a nuclear fission reactor which has a core vessel and at least one tandem heat exchanger vessel coupled therewith across upper and lower passages to define a closed flow loop. Nuclear fuel such as a uranium alloy in its liquid phase fills these vessels and flow passages. Solid control elements in the reactor core vessel are adapted to be adjusted relative to one another to control fission reaction of the liquid fuel therein. Moderator elements in the other vessel and flow passages preclude fission reaction therein. An inert gas such as helium is bubbled upwardly through the heat exchanger vessel operable to move the liquid fuel upwardly therein and unidirectionally around the closed loop and downwardly through the core vessel. This helium gas is further directed to heat conversion means outside of the reactor vessels to utilize the heat from the fission reaction to generate useful output. The nuclear fuel operates in the 1200 to 1800/sup 0/C range, and even higher to 2500/sup 0/C.

  4. Prediction of Activities in Fe-Based Ternary Liquid Alloys by Hoch-Arpshofen Model

    Institute of Scientific and Technical Information of China (English)

    YANGHong—wei; LIANChao; TAODong—ping

    2012-01-01

    Thermodynamic properties for an alloy system play an important role in the materials science and engineer- ing. Therefore, theoretical calculations having the flexibility to deal with complexity are very useful and have scien- tific meaning. The Hoch-Arpshofen model was deduced from physical principles and is applicable to binary, ternary and larger system using its binary interaction parameters only. Calculations of the activities of Fe-based liquid alloys are calculated using Hoch-Arpshofen model from data on the binary subsystems. Results for the activities for Fe-Au- Ni, Fe-Cr-Ni, Fe-Co-Cr and Fe-Co-Ni systems at required temperature are presented by Hoch-Arpshofen model. The average relative errors of prediction are 7.8%, 4.5%, 4.9~ and 2.7%, respectively. It shows that the calcu- lated results are in good agreement with the experimental data except Fe-Au-Ni system, which exhibits strong inter- action between unlike atoms. The model provides a simple, reliable and general method for calculating the activities for Fe-based liquid alloys.

  5. Calculating formation range of binary amorphous alloys fabricated by electroless plating

    Science.gov (United States)

    Zhang, Bangwei; Liao, Shuzhi; Shu, Xiaolin; Xie, Haowen

    2016-06-01

    A lot of amorphous alloy deposits in the binary (Ni, Co, Cu)-(P, B) alloy systems fabricated by electroless plating (EP) have been reported up to date. But no one reported their theoretical modeling of the amorphous formation and calculated their concentration range of amorphous formation (RAF). Using Miedema model and subregular model scheme, the RAFs for the six EP (Ni, Co, Cu)-(P, B) alloys and three Ni-Cu, Ni-Co and Co-Cu alloys have been calculated systematically for the first time. The calculated results are in agreement with experimental observations. Experiments and calculations for the RAFs in the latter three alloy systems reveal that not any RAF formed except crystalline states. The huge difference between the six metal-metalloid alloys and three metal-metal alloys in RAF has been discussed in detail in the paper.

  6. Computer Simulation of Ordering and Atom Clustering in Aging Binary Al-Li Alloy

    Institute of Scientific and Technical Information of China (English)

    LI Xiao-ling; CHEN Zheng; WANG Yong-xin; HU Ming-juan

    2004-01-01

    Ordering and atom clustering in aging binary Al-Li alloy has been investigated by computer simulation through calculating the long range order (lro.) parameter and composition deviation order parameter from single-site occupation probabilities of Li atom. The results show that when the alloy lies in metastable region in the phase diagram ordering and atom clustering occur simultaneously. As the composition of the alloy increases ordering occurs earlier than atom clustering gradually. When the alloy lies in instable region atom clustering takes place after the congruent ordering completes. It has also been found that the incubation period of the phase transformation is shortened as the composition increases.

  7. Computer Simulation of Ordering and Atom Clustering in Aging Binary AI-Li Alloy

    Institute of Scientific and Technical Information of China (English)

    LIXiao-ling; CHENZheng; WANGYong-xin; HUMing-juan

    2004-01-01

    Ordering and atom clustering in aging binary Al-Li alloy has been investigated by computer simulation through calculating the long range order (lro.) parameter and composition deviation order parameter from single-site occupation probabilities of Li atom. The results show that when the alloy lies in metastable region in the phase diagram ordering and atom clustering occur simultaneously. As the composition of the alloy increases ordering occurs earlier than atom clustering gradually. When the alloy lies in instable region atom clustering takes place after the congruent ordering completes. It has also been found that the incubation period of the phase transformation is shortened as the composition increases.

  8. Ab initio atomistic thermodynamics study on the oxidation mechanism of binary and ternary alloy surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Shi-Yu, E-mail: buaasyliu@gmail.com [College of Physics and Electronic Information Science, Tianjin Normal University, Tianjin 300387 (China); Department of Mechanical and Biomedical Engineering, City University of Hong Kong, Kowloon, Hong Kong (China); Liu, Shiyang [Institute of Information Optics, Zhejiang Normal University, Jinhua, Zhejiang 321004 (China); Li, De-Jun [College of Physics and Electronic Information Science, Tianjin Normal University, Tianjin 300387 (China); Wang, Sanwu, E-mail: sanwu-wang@utulsa.edu [Department of Physics and Engineering Physics, The University of Tulsa, Tulsa, Oklahoma 74104 (United States); Guo, Jing; Shen, Yaogen, E-mail: meshen@cityu.edu.hk [Department of Mechanical and Biomedical Engineering, City University of Hong Kong, Kowloon, Hong Kong (China)

    2015-02-14

    Utilizing a combination of ab initio density-functional theory and thermodynamics formalism, we have established the microscopic mechanisms for oxidation of the binary and ternary alloy surfaces and provided a clear explanation for the experimental results of the oxidation. We construct three-dimensional surface phase diagrams (SPDs) for oxygen adsorption on three different Nb-X(110) (X = Ti, Al or Si) binary alloy surfaces. On the basis of the obtained SPDs, we conclude a general microscopic mechanism for the thermodynamic oxidation, that is, under O-rich conditions, a uniform single-phase SPD (type I) and a nonuniform double-phase SPD (type II) correspond to the sustained complete selective oxidation and the non-sustained partial selective oxidation by adding the X element, respectively. Furthermore, by revealing the framework of thermodynamics for the oxidation mechanism of ternary alloys through the comparison of the surface energies of two separated binary alloys, we provide an understanding for the selective oxidation behavior of the Nb ternary alloy surfaces. Using these general microscopic mechanisms, one could predict the oxidation behavior of any binary and multi-component alloy surfaces based on thermodynamics considerations.

  9. Enthalpy of mixing of liquid Ag–Bi–Cu alloys at 1073 K

    Energy Technology Data Exchange (ETDEWEB)

    Fima, Przemysław, E-mail: p.fima@imim.pl [Institute of Metallurgy and Materials Science, Polish Academy of Sciences, ul. Reymonta 25, 30-059 Krakow (Poland); Flandorfer, Hans [Department of Inorganic Chemistry/Materials Chemistry, University of Vienna, Waehringer Street 42, A-1090 Vienna (Austria)

    2014-01-10

    Highlights: • Partial and integral mixing enthalpies of liquid Ag–Bi–Cu alloys were determined. • Integral mixing enthalpies are small and endothermic, similar to limiting binaries. • The ternary data were fitted on the basis of Redlich–Kister–Muggianu model. - Abstract: The Ag–Bi–Cu system is among those ternary systems which have not been fully studied yet, in particular the thermodynamic description of the liquid phase is missing. Partial and integral enthalpies of mixing of liquid ternary Ag–Bi–Cu alloys were determined over a broad composition range along six sections: x(Ag)/x(Bi) = 0.25, 1, 4; x(Ag)/x(Cu) = 1.5; x(Bi)/x(Cu) = 1.86, 4. Measurements were carried out at 1073 K using two Calvet type microcalorimeters and drop calorimetric technique. It was found that integral enthalpies of mixing are small and endothermic, similarly to limiting binary alloys. The ternary data were fitted on the basis of an extended Redlich–Kister–Muggianu model for substitutional solutions. There are no significant additional ternary interactions.

  10. Adsorption at the liquid-vapor surface of a binary liquid mixture

    Science.gov (United States)

    Whitmer, J. K.; Kiselev, S. B.; Law, B. M.

    2005-11-01

    In a binary liquid mixture, the component possessing the lowest surface tension preferentially adsorbs at the liquid-vapor surface. In the past this adsorption behavior has been extensively investigated for critical binary liquid mixtures near the mixture's critical temperature Tc. In this fluctuation-dominated regime the adsorption is described by a universal function of the dimensionless depth z /ξ where ξ is the bulk correlation length. Fewer studies have quantitatively examined adsorption for off-critical mixtures because, in this case, one must carefully account for both the bulk and surface crossover from the fluctuation-dominated regime (close to Tc) to the mean-field dominated regime (far from Tc). In this paper we compare extensive liquid-vapor ellipsometric adsorption measurements for the mixture aniline+cyclohexane at a variety of critical and noncritical compositions with the crossover theory of Kiselev and co-workers [J. Chem. Phys. 112, 3370 (2000)].

  11. Hopping in a supercooled binary Lennard-Jones liquid

    DEFF Research Database (Denmark)

    Schrøder, Thomas; Dyre, Jeppe

    1998-01-01

    A binary Lennard–Jones liquid has been investigated by molecular dynamics at equilibrium supercooled conditions. At the lowest temperature investigated, hopping is present in the system as indicated by a secondary peak in 4r2Gs(r,t), where Gs(r,t) is the van Hove self correlation function....... To examine the dynamics of the system, we consider transitions between the inherent structures (local minima in the potential energy) along the trajectory. We conclude that the plateau in the mean square displacement found at lower temperatures is indeed a result of particles being trapped in local "cages...

  12. Achieving tailorable magneto-caloric effect in the Gd-Co binary amorphous alloys

    Directory of Open Access Journals (Sweden)

    C. Wu

    2016-03-01

    Full Text Available Tailorable magnetic properties and magneto-caloric effect were achieved in the Gd-Co binary amorphous alloys. It was found that the Curie temperature (Tc of the GdxCo100-x (x=50, 53, 56, 58, 60 metallic glasses can be tuned by changing the concentration of Gd as Tc =708.8-8.83x, and the mechanism involved was investigated. On the other hand, a linear correlation between the peak value of magnetic entropy change (-Δ Smpeak and Tc-2/3 is found in the amorphous alloys with a linear correlation coefficients of above 0.992. Therefore, the -ΔSmpeak of the Gd-Co binary amorphous alloys under different magnetic fields can be easily tailored by adjusting the composition of the alloy.

  13. Preparation of NiFe binary alloy nanocrystals for nonvolatile memory applications

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    In this work,an idea which applies binary alloy nanocrystal floating gate to nonvolatile memory application was introduced.The relationship between binary alloy’s work function and its composition was discussed theoretically.A nanocrystal floating gate structure with NiFe nanocrystals embedded in SiO2 dielectric layers was fabricated by magnetron sputtering.The micro-structure and composition deviation of the prepared NiFe nanocrystals were also investigated by TEM and EDS.

  14. Polyanions in liquid ionic alloys : A decade of research

    NARCIS (Netherlands)

    vanderLugt, W

    1996-01-01

    The occurrence of polyanions in a group of liquid ionic alloys, viz alloys of the alkali metals with 13, 14, 15 and 16 elements (post-transition-metal groups 3, 4, 5 and 6), is discussed. It is shown that there are strong parallels with the corresponding crystalline phases, in which polyanions such

  15. Direct Measurement of the Metastable Liquid Miscibility Gap in Fe-Co-Cu Ternary Alloy System

    Institute of Scientific and Technical Information of China (English)

    CAO Chong-De; Georg P.G(O)RLER

    2005-01-01

    @@ The metastable liquid-liquid phase separation in undercooled Fe-Co-Cu ternary alloy melts (XCu = 0.10-0.84;XCo:XFe = 1:3,1:1 and 3:1) is investigated by differential thermal analysis in combination with glass fluxing technique. In almost every case, the undercooling of the homogeneous alloy melt was sufficient to reach the boundary line of the submerged miscibility gap. The differential-thermal-analysis signals indicate that this separation into a (Fe, Co)-rich liquid phase L1 and a Cu-rich liquid L2 is exothermic and proceeds until the rapid solidification of the L1 phase occurs. At a given Cu concentration and with the increase of Co content, the phase separation temperatures decrease monotonically between the corresponding values of the boundary systems Fe-Cu and Co-Cu. The boundary lines of the miscibility gap, which are determined for the three quasi-binary cross-sections of the (Fe, Co)-Cu alloy system, show remarkably flat domes. The occurrence of the liquid phase separation shows an evident influence on the subsequent γ-Fe(Co, Cu)→α-Fe(Co, Cu) solid phase transformation.

  16. Bulk and Surface Properties of Liquid Al-Li and Li-Zn Alloys

    Science.gov (United States)

    Trybula, Marcela; Gancarz, Tomasz; Gasior, Wladyslaw; Pasturel, Alain

    2014-11-01

    Physicochemical properties like density, surface tension, and viscosity of liquid binary Al-Li and Li-Zn alloys have been measured using draining crucible method. The experimentally measured surface-tension values have been compared to theoretical results based either on the Butler model or the compound formation model assuming the existence of the most favored A 1 B 2 and A 2 B 3 clusters. Several models for viscosity calculation have been also applied and discussed in confrontation with measured data. Finally, the clustering effects in the liquid Al-Li and Li-Zn alloys have been examined using two microscopic functions, i.e., the concentration fluctuation function in the long-wavelength limit and the Warren-Cowley short-range order parameter.

  17. Structural and dynamical properties of liquid Al-Au alloys

    Science.gov (United States)

    Peng, H. L.; Voigtmann, Th.; Kolland, G.; Kobatake, H.; Brillo, J.

    2015-11-01

    We investigate temperature- and composition-dependent structural and dynamical properties of Al-Au melts. Experiments are performed to obtain accurate density and viscosity data. The system shows a strong negative excess volume, similar to other Al-based binary alloys. We develop a molecular-dynamics (MD) model of the melt based on the embedded-atom method (EAM), gauged against the available experimental liquid-state data. A rescaling of previous EAM potentials for solid-state Au and Al improves the quantitative agreement with experimental data in the melt. In the MD simulation, the admixture of Au to Al can be interpreted as causing a local compression of the less dense Al system, driven by less soft Au-Au interactions. This local compression provides a microscopic mechanism explaining the strong negative excess volume of the melt. We further discuss the concentration dependence of self- and interdiffusion and viscosity in the MD model. Al atoms are more mobile than Au, and their increased mobility is linked to a lower viscosity of the melt.

  18. Thermal conductivity of disordered two-dimensional binary alloys.

    Science.gov (United States)

    Zhou, Yang; Guo, Zhi-Xin; Cao, Hai-Yuan; Chen, Shi-You; Xiang, Hong-Jun; Gong, Xin-Gao

    2016-10-20

    Using non-equilibrium molecular dynamics simulations, we have studied the effect of disorder on the thermal conductivity of two-dimensional (2D) C1-xNx alloys. We find that the thermal conductivity not only depends on the substitution concentration of nitrogen, but also strongly depends on the disorder distribution. A general linear relationship is revealed between the thermal conductivity and the participation ratio of phonons in 2D alloys. Localization mode analysis further indicates that the thermal conductivity variation in the ordered alloys can be attributed to the number of inequivalent atoms. As for the disordered alloys, we find that the thermal conductivity variation can be described by a simple linear formula with the disorder degree and the substitution concentration. The present study suggests some general guidance for phonon manipulation and thermal engineering in low dimensional alloys.

  19. Solid-liquid equilibria of binary mixtures of fluorinated ionic liquids.

    Science.gov (United States)

    Teles, Ana Rita R; Correia, Helga; Maximo, Guilherme J; Rebelo, Luís P N; Freire, Mara G; Pereiro, Ana B; Coutinho, João A P

    2016-09-28

    Within ionic liquids, fluorinated ionic liquids (FILs) present unique physico-chemical properties and potential applications in several fields. However, the melting point of these neoteric compounds is usually higher due to the presence of fluorine atoms. This drawback may be resolved by, for instance, mixing different FILs to create eutectic mixtures. In this work, binary mixtures of fluoro-containing and fluorinated ionic liquids were considered with the aim of decreasing their melting temperatures as well as understanding and characterizing these mixtures and their phase transitions. Five FILs were selected, allowing the investigation of four binary mixtures, each of them with a common ion. Their solid-liquid and solid-solid equilibria were studied by differential scanning calorimetry and the non-ideality of the mixtures was investigated. Overall, a variety of solid-liquid equilibria with systems exhibiting eutectic behavior, polymorphs with solid-solid phase transitions, and the formation of intermediate compounds and solid solutions were surprisingly found. In addition to these intriguing behaviours, novel FILs with lower melting temperatures were obtained by the formation of binary systems, thus enlarging the application range of FILs at lower temperatures.

  20. Neutron diffraction study on liquid Al-Ni alloys

    Energy Technology Data Exchange (ETDEWEB)

    Gruner, Sascha; Marczinke, Jennifer; Hoyer, Walter [Technische Univ. Chemnitz-Zwickau, Chemnitz (Germany). Inst. fuer Physik; Hennet, Louis [CNRS-CEMHTI, Orleans Univ. (France); Cuello, Gabriel Julio [Institute Laue - Langevin, Grenoble (France); Basque Country Univ., Bilbao (Spain)

    2010-06-15

    A neutron diffraction study on liquid Al-Ni alloys close to the liquidus temperature is presented. By applying an aerodynamic levitation technique associated with CO{sub 2} laser heating, it was possible to investigate the high-melting alloys around the equi-atomic composition, too. We observe a change in the local chemical atomic arrangement from preferred environing of like atoms in Al-rich alloys to hetero-coordination in the Ni-rich alloys. It is furthermore demonstrated that the apparent pre-peak can be attributed to a distinct Ni-Ni short-range order. (orig.)

  1. Numerical simulation on rapid melting and nonequilibrium solidification of pure metals and binary alloys

    Institute of Scientific and Technical Information of China (English)

    惠希东; 陈国良; 杨院生; 胡壮麒

    2002-01-01

    A heat and mass transfer modelling containing phase transformation dynamics is made for pure metals and binary alloys under pulsed laser processing. The nonequilibrium effects of processing parameters and physical properties are evaluated on the melting and solidification of pure metals (Al, Cu, Fe and Ni) and Al-Cu alloys. It is shown that the energy intensity of laser beam and physical properties of metals and the solute concentration of alloys have important effect on the interface temperature, melting and solidification velocity, melting depth and non-equilibrium partition coefficient. This situation is resulted from the interaction of heat transfer, redistribution of solute, solute trapping and growth kinetics.

  2. Screening on binary Ti alloy with excellent mechanical property and castability for dental prosthesis application

    Science.gov (United States)

    Li, H. F.; Qiu, K. J.; Yuan, W.; Zhou, F. Y.; Wang, B. L.; Li, L.; Zheng, Y. F.; Liu, Y. H.

    2016-11-01

    In the present study, the microstructure, mechanical property, castability, corrosion behavior and in vitro cytocompatibility of binary Ti-2X alloys with various alloying elements, including Ag, Bi, Ga, Ge, Hf, In, Mo, Nb, Sn and Zr, were systematically investigated, in order to assess their potential applications in dental field. The experimental results showed that all binary Ti‒2X alloys consisted entirely α-Ti phase. The tensile strength and microhardness of Ti were improved by adding alloying elements. The castability of Ti was significantly improved by separately adding 2 wt.% Bi, Ga, Hf, Mo, Nb, Sn and Zr. The corrosion resistance of Ti in both normal artificial saliva solution (AS) and extreme artificial saliva solution (ASFL, AS with 0.2 wt.% NaF and 0.3 wt.% lactic acid) has been improved by separately adding alloying elements. In addition, the extracts of studied Ti‒2X alloys produced no significant deleterious effect to both fibroblasts L929 cells and osteoblast-like MG63 cells, indicating a good in vitro cytocompatibility, at the same level as pure Ti. The combination of enhanced mechanical properties, castability, corrosion behavior, and in vitro cytocompatibility make the developed Ti‒2X alloys have great potential for future stomatological applications.

  3. Microstructure and corrosion behavior of binary titanium alloys with beta-stabilizing elements.

    Science.gov (United States)

    Takada, Y; Nakajima, H; Okuno, O; Okabe, T

    2001-03-01

    Binary titanium alloys with the beta-stabilizing elements of Co, Cr, Cu, Fe, Mn and Pd (up to 30%) and Ag (up to 45%) were examined through metallographic observation and X-ray diffractometry to determine whether beta phases that are advantageous for dental use could be retained. Corrosion behavior was also investigated electrochemically and discussed thermodynamically. Some cast alloys with Co, Cr, Fe, Mn, and Pd retained the beta phase, whereas those with Ag and Cu had no beta phase. In some alloys, an intermetallic compound formed, based on information from the phase diagram. The corrosion resistance deteriorated in the TiAg alloys because Ti2Ag and/or TiAg intermetallic compounds preferentially dissolved in 0.9% NaCl solution. On the other hand, the remaining titanium alloys became easily passive and revealed good corrosion resistance similar to pure titanium since their matrices seemed to thermodynamically form titanium oxides as did pure titanium.

  4. Materials corrosion of high temperature alloys immersed in 600C binary nitrate salt.

    Energy Technology Data Exchange (ETDEWEB)

    Kruizenga, Alan Michael; Gill, David Dennis; LaFord, Marianne Elizabeth

    2013-03-01

    Thirteen high temperature alloys were immersion tested in a 60/40 binary nitrate salt. Samples were interval tested up to 3000 hours at 600ÀC with air as the ullage gas. Chemical analysis of the molten salt indicated lower nitrite concentrations present in the salt, as predicted by the equilibrium equation. Corrosion rates were generally low for all alloys. Corrosion products were identified using x-ray diffraction and electron microprobe analysis. Fe-Cr based alloys tended to form mixtures of sodium and iron oxides, while Fe-Ni/Cr alloys had similar corrosion products plus oxides of nickel and chromium. Nickel based alloys primarily formed NiO, with chromium oxides near the oxide/base alloy interface. In625 exhibited similar corrosion performance in relation to previous tests, lending confidence in comparisons between past and present experiments. HA230 exhibited internal oxidation that consisted of a nickel/chromium oxide. Alloys with significant aluminum alloying tended to exhibit superior performance, due formation of a thin alumina layer. Soluble corrosion products of chromium, molybdenum, and tungsten were also formed and are thought to be a significant factor in alloy performance.

  5. Thermodynamic properties of liquid Al–Li–Zn alloys determined from electromotive force measurement

    Energy Technology Data Exchange (ETDEWEB)

    Trybula, Marcela, E-mail: m.trybula@imim.pl; Fima, Przemysław; Gąsior, Władysław

    2014-07-01

    Highlights: • Electromotive force (emf) was measured in liquid Al–Li–Zn alloys. • Partial thermodynamic properties (ΔG, ΔH, ΔS) were determined from emf data. • A set of Redlich–Kister (RK) parameters for liquid was optimized using these data. • Partial and mixing ΔG and ΔH were modelled using new and literature RK parameters. • Calculated mixing enthalpy is in good agreement with literature calorimetric data. - Abstract: Electromotive force measurements (emf) were carried out over broad temperature range for liquid ternary Al–Li–Zn alloys. Partial excess thermodynamic functions of lithium: Gibbs energy, enthalpy and entropy in liquid Al–Li–Zn alloys were determined. These data were compared to modelled values obtained using Redlich–Kister–Muggianu (RMK) equation and the set of literature binary and ternary interaction parameters. Mixing Gibbs energy and enthalpy was also computed with the new set of ternary parameters optimized in this work and confronted to available experimentally determined data.

  6. PLUTONIUM-THORIUM ALLOYS

    Science.gov (United States)

    Schonfeld, F.W.

    1959-09-15

    New plutonium-base binary alloys useful as liquid reactor fuel are described. The alloys consist of 50 to 98 at.% thorium with the remainder plutonium. The stated advantages of these alloys over unalloyed plutonium for reactor fuel use are easy fabrication, phase stability, and the accompanying advantuge of providing a means for converting Th/sup 232/ into U/sup 233/.

  7. Electrochemical Behaviors of Binary Ti-Zr Alloys

    Energy Technology Data Exchange (ETDEWEB)

    Oh, M. Y.; Kim, W. G.; Choe, H. C.; Ko, Y. M. [Chosun University, Gwnagju (Korea, Republic of)

    2009-04-15

    Pure Ti as well as Ti-6Al-4V alloy exhibit excellent properties for dental implant applications. However, for a better biocompatibility it seems important to avoid in the composition the presence of V due to the toxic effects of V ion release. Thus Al and V free and composed of non-toxic element such as Nb, Zr alloys as biomaterials have been developed. Especially, Zr contains to same family in periodic table as Ti. The addition of Zr to Ti alloy has an excellent mechanical properties, good corrosion resistance, and biocompatibility. In this study, the electrochemical characteristics of Ti-Zr alloys for biomaterials have been investigated using by electrochemical methods. Methods: Ti-Zr(10, 20, 30 and 40 wt%) alloys were prepared by are melting and homogenized for 24 hr at 1000 .deg. C in argon atmosphere. Phase constitutions and microstructure of the specimens were characterized by XRD, OM and SEM. The corrosion properties of the specimens were examined through potentiodynamic test (potential range of - 1500 {approx} 2000 mV), potentiostatic test (const, potential of 300 mV) in artificial saliva solution by potentiostat (EG and G Co, PARSTAT 2273. USA)

  8. Chemical short-range order and the Meyer - Neldel rule for liquid alloys: AlCa and GaAlCa

    Science.gov (United States)

    You, D.; Schnyders, H. S.; Van Zytveld, J. B.

    1997-02-01

    We have measured the electrical resistivity, 0953-8984/9/7/006/img1, its specific temperature dependence, 0953-8984/9/7/006/img2, and the thermopower, S, of two series of ternary liquid alloys: 0953-8984/9/7/006/img3 and 0953-8984/9/7/006/img4. We also provide new analysis for the binary liquid alloy AlCa. We do not see the unusually large values for S that were found earlier for amorphous solid ternary alloys of the approximate composition 0953-8984/9/7/006/img5. We do find that, while chemical short-range order (CSRO) appears to occur in the liquid binary alloy 0953-8984/9/7/006/img6, CSRO is apparently destroyed by substitution of one Ga atom for one Al per complex: 0953-8984/9/7/006/img7. CSRO may exist in the liquid alloy 0953-8984/9/7/006/img8. And we find that the activated conductivities of these ternary liquid alloys (and also of liquid AlCa) are consistent with the Meyer - Neldel rule (MNR), extending the range of applicability of the MNR to systems with activation energies about an order of magnitude smaller than previously observed. These results appear to rule out two physical models as universal bases for the MNR, but are consistent with one based on a hopping conductivity whose characteristic energy is that of a polaron shift.

  9. Numerical model of the solidification of alloys with natural convection of the liquid

    Directory of Open Access Journals (Sweden)

    E. Węgrzyn-Skrzypczak

    2008-04-01

    Full Text Available The paper deals with comparison of numerical analysis results obtained for binary alloys solidification process in the sand and permanent mould with motion of the fluid in the liquid and mushy zone. The partial differential equations describing mathematical model of the phenomena are presented. Finite Element Method is used for modeling process. Characteristic Based Split (CBS method is used for solving momentum equation. Such approach allows to uncouple velocities and pressure. Petrov-Galerkin formulation is employed to stabilize heat conductivity equation with convective term. The results of the numerical simulations in the 2D region are discussed. Velocity fields, cooling rates and positions of the liquid, solid-liquid and solid regions are compared.

  10. Phonon dispersion in alkali metals and their equiatomic sodium-based binary alloys

    Institute of Scientific and Technical Information of China (English)

    Aditya M. VORA

    2008-01-01

    In the present article, the theoretical calcula-tions of the phonon dispersion curves (PDCs) of five alkali metals viz. Li, Na, K, Rb, Cs and their four equia-tomic sodium-based binary alloys viz. Na0.5Li0.5,Na0.5K0.5, Na0.5Rb0.5 and Na0.5Cs0.5 to second order in a local model potential is discussed in terms of the real-space sum of the Born yon Karman central force con-stants. Instead of the concentration average of the force constants of pure alkali metals, the pseudo-alloy-atom (PAA) is adopted to directly compute the force constants of the four equiatomic sodium based binary alloys and was successfully applied. The exchange and correlation functions due to the Hartree (H) and Ichimaru-Utsumi (IU) are used to investigate the influence of the screening effects. The phonon frequencies of alkali metals and their four equiatomic sodium-based binary alloys in the longit-udinal branch are more sensitive to the exchange and cor-relation effects in comparison with the transverse branches. The PDCs of pure alkali metals are found in qualitative agreement with the available experimental data. The frequencies in the longitudinal branch are sup-pressed rather due to IU-screening function than those due to static H-screening function.

  11. Prediction of Hydrogen Flux Through Sulfur-Tolerant Binary Alloy Membranes

    Science.gov (United States)

    Kamakoti, Preeti; Morreale, Bryan D.; Ciocco, Michael V.; Howard, Bret H.; Killmeyer, Richard P.; Cugini, Anthony V.; Sholl, David S.

    2005-01-01

    Metal membranes play a vital role in hydrogen purification. Defect-free membranes can exhibit effectively infinite selectivity but must also provide high fluxes, resistance to poisoning, long operational lifetimes, and low cost. Alloying offers one route to improve on membranes based on pure metals such as palladium. We show how ab initio calculations and coarse-grained modeling can accurately predict hydrogen fluxes through binary alloy membranes as functions of alloy composition, temperature, and pressure. Our approach, which requires no experimental input apart from knowledge of bulk crystal structures, is demonstrated for palladium-copper alloys, which show nontrivial behavior due to the existence of face-centered cubic and body-centered cubic crystal structures and have the potential to resist sulfur poisoning. The accuracy of our approach is examined by a comparison with extensive experiments using thick foils at elevated temperatures. Our experiments also demonstrate the ability of these membranes to resist poisoning by hydrogen sulfide.

  12. Isothermal corrosion Fe3Si alloy in liquid zinc

    Institute of Scientific and Technical Information of China (English)

    Wen jun Wang; Junping Lin; Yanli Wang; Guoliang Chen

    2007-01-01

    The isothermal corrosion testing,microscopic examination and the performance of Fe3Si alloy as materials of construction for bath hardware in continuous hot-dipping lines were studied.The corrosion of Fe3Si alloy in molten zinc was controlled by attacking the grain boundaries preferentially.Aluminum reacted with iron of Fe3Si alloy firstly while the samples were immersed in molten zinc,although aluminum contents in the molten zinc were very low.The phase of reaction product was thought to be Fe2Al5.The corrosion rate of the Fe3Si alloy in molten zinc was determined to be approximately 2.9×10-3 mm/h,therefore the liquid zinc corrosion resistance of Fe3Si alloy was very weak.

  13. Cleavage crystallography of liquid metal embrittled aluminum alloys

    Science.gov (United States)

    Reynolds, A. P.; Stoner, G. E.

    1991-01-01

    The crystallography of liquid metal-induced transgranular cleavage in six aluminum alloys having a variety of microstructures has been determined via Laue X-ray back reflection. The cleavage crystallography was independent of alloy microstructure, and the cleavage plane was 100-plane oriented in all cases. It was further determined that the cleavage crystallography was not influenced by alloy texture. Examination of the fracture surface indicated that there was not a unique direction of crack propagation. In addition, the existence of 100-plane cleavage on alloy 2024 fracture surfaces was inferred by comparison of secondary cleavage crack intersection geometry on the 2024 surfaces with the geometry of secondary cleavage crack intersections on the test alloys.

  14. Growth of normally-immiscible materials (NIMs), binary alloys, and metallic fibers by hyperbaric laser chemical vapor deposition

    Science.gov (United States)

    Maxwell, J. L.; Black, M. R.; Chavez, C. A.; Maskaly, K. R.; Espinoza, M.; Boman, M.; Landstrom, L.

    2008-06-01

    This work demonstrates that two or more elements of negligible solubility (and no known phase diagram) can be co-deposited in fiber form by hyperbaric-pressure laser chemical vapor deposition (HP-LCVD). For the first time, Hg-W alloys were grown as fibers from mixtures of tungsten hexafluoride, mercury vapor, and hydrogen. This new class of materials is termed normally-immiscible materials (NIMs), and includes not only immiscible materials, but also those elemental combinations that have liquid states at exclusive temperatures. This work also demonstrates that a wide variety of other binary and ternary alloys, intermetallics, and mixtures can be grown as fibers, e.g. silicon-tungsten, aluminum-silicon, boron-carbon-silicon, and titanium-carbon-nitride. In addition, pure metallic fibers of aluminum, titanium, and tungsten were deposited, demonstrating that materials of high thermal conductivity can indeed be grown in three-dimensions, provided sufficient vapor pressures are employed. A wide variety of fiber properties and microstructures resulted depending on process conditions; for example, single crystals, fine-grained alloys, and glassy metals could be deposited.

  15. Growth of normally-immiscible materials (NIMs), binary alloys, and metallic fibers by hyperbaric laser chemical vapor deposition

    Energy Technology Data Exchange (ETDEWEB)

    Maxwell, J.L.; Black, M.R.; Chavez, C.A.; Maskaly, K.R.; Espinoza, M. [Los Alamos National Laboratory, NEMISIS Team, IAT-2, Los Alamos, NM (United States); Boman, M.; Landstrom, L. [Uppsala University, Inorganic Chemistry, Angstrom Laboratory, Uppsala (Sweden)

    2008-06-15

    This work demonstrates that two or more elements of negligible solubility (and no known phase diagram) can be co-deposited in fiber form by hyperbaric-pressure laser chemical vapor deposition (HP-LCVD). For the first time, Hg-W alloys were grown as fibers from mixtures of tungsten hexafluoride, mercury vapor, and hydrogen. This new class of materials is termed normally-immiscible materials (NIMs), and includes not only immiscible materials, but also those elemental combinations that have liquid states at exclusive temperatures. This work also demonstrates that a wide variety of other binary and ternary alloys, intermetallics, and mixtures can be grown as fibers, e.g. silicon-tungsten, aluminum-silicon, boron-carbon-silicon, and titanium-carbon-nitride. In addition, pure metallic fibers of aluminum, titanium, and tungsten were deposited, demonstrating that materials of high thermal conductivity can indeed be grown in three-dimensions, provided sufficient vapor pressures are employed. A wide variety of fiber properties and microstructures resulted depending on process conditions; for example, single crystals, fine-grained alloys, and glassy metals could be deposited. (orig.)

  16. Development and properties of Ti-In binary alloys as dental biomaterials.

    Science.gov (United States)

    Wang, Q Y; Wang, Y B; Lin, J P; Zheng, Y F

    2013-04-01

    The objective of this study is to investigate the effect of alloying element indium on the microstructure, mechanical properties, corrosion behavior and in vitro cytotoxicity of Ti-In binary alloys, with the addition of 1, 5, 10 and 15 at.% indium. The phase constitution was studied by optical microscopic observation and X-ray diffraction measurements. The mechanical properties were characterized by tension and microhardness tests. Potentiodynamic polarization measurements were employed to investigate the corrosion behavior in artificial saliva solutions with and without fluoride. In vitro cytotoxicity was conducted by using L929 and NIH 3T3 mouse fibroblast cell lines, with commercially pure Ti (CP-Ti, ASTM grade 2) as negative control. All of the binary Ti-In alloys investigated in this work were found to have higher strength and microhardness than CP-Ti. Electrochemical results showed that Ti-In alloys exhibited the same order of magnitude of passivation current densities with CP-Ti in artificial saliva solutions. With the presence of NaF, Ti-10In and Ti-15In showed transpassive behavior and lower current densities at high potentials. All experimental Ti-In alloys showed good cytocompatibility, at the same level as CP-Ti. The addition of indium to titanium was effective on increasing the strength and microhardness, without impairing its good corrosion resistance and cytocompatibility.

  17. Thermodynamic Properties of Liquid Ag-Bi-Sn Alloys

    Science.gov (United States)

    Li, Zuoan; Knott, Sabine; Mikula, Adolf

    2007-01-01

    As a promising lead-free solder, the thermodynamic properties of the liquid ternary Ag-Bi-Sn system were investigated. Using an appropriate galvanic cell, the partial free energies of Sn in liquid Ag-Bi-Sn alloys were determined as a function of concentration and temperature. Thermodynamic properties were obtained for 27 alloys. Their composition was situated on three cross sections with the constant ratios of Ag:Bi = 2:1, 1:1, and 1:2. The integral Gibbs free energy and the integral enthalpy for the ternary system at 900 K were calculated by Gibbs Duhem integration.

  18. Embedded binary eutectic alloy nanostructures: a new class of phase change materials.

    Science.gov (United States)

    Shin, S J; Guzman, J; Yuan, C-W; Liao, Christopher Y; Boswell-Koller, Cosima N; Stone, P R; Dubon, O D; Minor, A M; Watanabe, Masashi; Beeman, Jeffrey W; Yu, K M; Ager, J W; Chrzan, D C; Haller, E E

    2010-08-11

    Phase change materials are essential to a number of technologies ranging from optical data storage to energy storage and transport applications. This widespread interest has given rise to a substantial effort to develop bulk phase change materials well suited for desired applications. Here, we suggest a novel and complementary approach, the use of binary eutectic alloy nanoparticles embedded within a matrix. Using GeSn nanoparticles embedded in silica as an example, we establish that the presence of a nanoparticle/matrix interface enables one to stabilize both nanobicrystal and homogeneous alloy morphologies. Further, the kinetics of switching between the two morphologies can be tuned simply by altering the composition.

  19. Special quasirandom structures for binary/ternary group IV random alloys

    KAUST Repository

    Chroneos, Alexander I.

    2010-06-01

    Simulation of defect interactions in binary/ternary group IV semiconductor alloys at the density functional theory level is difficult due to the random distribution of the constituent atoms. The special quasirandom structures approach is a computationally efficient way to describe the random nature. We systematically study the efficacy of the methodology and generate a number of special quasirandom cells for future use. In order to demonstrate the applicability of the technique, the electronic structures of E centers in Si1-xGex and Si1-x -yGexSny alloys are discussed for a range of nearest neighbor environments. © 2010 Elsevier B.V. All rights reserved.

  20. Crossover scaling of wavelength selection in directional solidification of binary alloys.

    Science.gov (United States)

    Greenwood, Michael; Haataja, Mikko; Provatas, And Nikolas

    2004-12-10

    We simulate cellular and dendritic growth in directional solidification in dilute binary alloys using a phase-field model solved with adaptive-mesh refinement. The spacing of primary branches is examined for a wide range of thermal gradients and alloy compositions and is found to undergo a maximum as a function of pulling velocity, in agreement with experimental observations. We demonstrate that wavelength selection is unambiguously described by a nontrivial crossover scaling function from the emergence of cellular growth to the onset of dendritic fingers. This result is further validated using published experimental data, which obeys the same scaling function.

  1. Phase-field simulations of solidification of AI-Cu binary alloys

    Institute of Scientific and Technical Information of China (English)

    龙文元; 蔡启舟; 陈立亮; 魏伯康

    2004-01-01

    The dendrite growth process during the solidification of the Al-4.5 %Cu binary alloy was simulated using the phase-field model, proposed by Kim et al. Solute diffusion equation and heat transfer equation were solved simultaneously. The effects of the noise on the dendrite growth, solute and temperature profile in the undercooled alloy melt were investigated. The results indicate that the noise can trigger the growth of the secondary arms, and increase the highest temperature and solute concentration, but not influence the tip operating state. The solute and temperature gradients in the tip are the highest.

  2. Solid state amorphisation in binary systems prepared by mechanical alloying

    Energy Technology Data Exchange (ETDEWEB)

    Gonzalez, G., E-mail: gemagonz@ivic.v [Lab. Ciencia e Ing. de Materiales, Instituto Venezolano de Investigaciones Cientificas, IVIC, Caracas (Venezuela, Bolivarian Republic of); Sagarzazu, A. [Lab. Ciencia e Ing. de Materiales, Instituto Venezolano de Investigaciones Cientificas, IVIC, Caracas (Venezuela, Bolivarian Republic of); Bonyuet, D. [Instituto de Investigacion en Biomedicina y Ciencias Aplicadas, Universidad de Oriente, Cumana (Venezuela, Bolivarian Republic of); D' Angelo, L. [UNEXPO, Universidad Experimental Politecnica Luis Caballero Mejias, Dpto. Ing. Mecanica (Venezuela, Bolivarian Republic of); Villalba, R. [Lab. Ciencia e Ing. de Materiales, Instituto Venezolano de Investigaciones Cientificas, IVIC, Caracas (Venezuela, Bolivarian Republic of)

    2009-08-26

    In the present work a detailed study of amorphisation in different systems prepared by mechanical alloying under the same experimental conditions was carried out, milling up to 50 and 100 h in some cases. The systems studied were: AlTi, AlNi, AlFe, FeNi, FeCo, NiMo, NiW, NiCo, MoW, CoMo. These systems were chosen to study the effect of Al-transition metal, transition metal-transition metal and also systems with large and small negative heat of mixing, different and similar crystal structures, atomic sizes and diffusion coefficients. Calculations based on the Miedema model for alloy formation and amorphisation on all the alloys studied were performed. The experimental results from X-ray diffraction and transmission electron microscopy showed that the systems based on Fe (FeNi, FeCo and FeAl) did not amorphised, even after milling for 100 h, and formed a stable solid solution with a nanometric grain size of 7 nm. The systems NiMo, NiW, MoW and CoMo (systems with small negative heat of mixing), showed amorphisation after 50 h of milling. NiAl and TiAl form an intermediate amorphous phase after around 20 h of milling and with further milling they recrystallize into a fcc solid solution. Agreement between the theoretical calculations based on the Miedema model and the experimental results was found in most of the systems.

  3. MODELING VAPOR LIQUID EQUILIBRIUM OF IONIC LIQUIDS plus GAS BINARY SYSTEMS AT HIGH PRESSURE WITH CUBIC EQUATIONS OF STATE

    OpenAIRE

    Freitas, ACD; Cunico, LP; M. Aznar; Guirardello,R.

    2013-01-01

    Ionic liquids (IL) have been described as novel environmentally benign solvents because of their remarkable characteristics. Numerous applications of these solvents continue to grow at an exponential rate. In this work, high pressure vapor liquid equilibria for 17 different IL + gas binary systems were modeled at different temperatures with Peng-Robinson (PR) and Soave-Redlich-Kwong (SRK) equations of state, combined with the van der Waals mixing rule with two binary interaction parameters (v...

  4. Development and properties of Ti–In binary alloys as dental biomaterials

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Q.Y. [Center for Biomedical Materials and Engineering, Harbin Engineering University, Harbin 150001 (China); Wang, Y.B. [Department of Materials Science and Engineering, College of Engineering, Peking University, Beijing 100871 (China); Lin, J.P. [State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083 (China); Zheng, Y.F., E-mail: yfzheng@pku.edu.cn [Center for Biomedical Materials and Engineering, Harbin Engineering University, Harbin 150001 (China); Department of Materials Science and Engineering, College of Engineering, Peking University, Beijing 100871 (China)

    2013-04-01

    The objective of this study is to investigate the effect of alloying element indium on the microstructure, mechanical properties, corrosion behavior and in vitro cytotoxicity of Ti–In binary alloys, with the addition of 1, 5, 10 and 15 at.% indium. The phase constitution was studied by optical microscopic observation and X-ray diffraction measurements. The mechanical properties were characterized by tension and microhardness tests. Potentiodynamic polarization measurements were employed to investigate the corrosion behavior in artificial saliva solutions with and without fluoride. In vitro cytotoxicity was conducted by using L929 and NIH 3T3 mouse fibroblast cell lines, with commercially pure Ti (CP–Ti, ASTM grade 2) as negative control. All of the binary Ti–In alloys investigated in this work were found to have higher strength and microhardness than CP–Ti. Electrochemical results showed that Ti–In alloys exhibited the same order of magnitude of passivation current densities with CP–Ti in artificial saliva solutions. With the presence of NaF, Ti–10In and Ti–15In showed transpassive behavior and lower current densities at high potentials. All experimental Ti–In alloys showed good cytocompatibility, at the same level as CP–Ti. The addition of indium to titanium was effective on increasing the strength and microhardness, without impairing its good corrosion resistance and cytocompatibility. - Highlights: ► The addition of In into Ti can increase the mechanical property. ► Ti-In alloys exhibited similar passivation behavior with CP-Ti. ► Ti-In alloys had good cytocompatibility comparable with CP-Ti. ► Ti-10In and Ti-15In showed transpassive baheviour with the addition of NaF.

  5. Thermodynamic analysis of the change of solid solubility in a binary system processed by mechanical alloying

    Energy Technology Data Exchange (ETDEWEB)

    Aguilar, C. [Instituto de Materiales y Procesos Termomecanicos, Facultad de Ciencias de la Ingenieria, Universidad Austral de Chile, Av. General Lagos 2086, Valdivia (Chile)], E-mail: ceaguilar@uach.cl; Martinez, V. [TEKMETALL, Metallurgical Solutions S.L., Po de Manuel Lardizabal No17, 20018 Donostia-Gipuzkoa (Spain); Navea, L.; Pavez, O.; Santander, M. [Departamento de Metalurgia, Facultad de Ingenieria, Universidad de Atacama, Av. Copayapu 485, Copiapo (Chile)

    2009-03-05

    Using a non-equilibrium process, it is possible to extend the solid solubility range in metallic systems. Therefore, the main objective of this work was to apply a thermodynamic model to predict the change in the solubility limit of systems with positive enthalpy mixing (Cu-Cr and Fe-Cu) processed by mechanical alloying. It was found that increasing the density of crystalline defects alters the solubility limit in these binary systems.

  6. Three-dimensional simulations of phase separation in model binary alloy systems with elasticity

    Energy Technology Data Exchange (ETDEWEB)

    Orlikowski, D.; Roland, C. [North Carolina State Univ., Raleigh, NC (United States); Sagui, C. [McGill Univ., Montreal, Quebec (Canada). Dept. of Physics; Somoza, A.S. [Univ. de Murcia (Spain). Dept. de Fisica

    1998-12-31

    The authors report on large-scale three-dimensional simulations of phase separation in model binary alloy systems in the presence of elastic fields. The elastic field has several important effects on the morphology of the system: the ordered domains are subject to shape transformations, and spatial ordering. In contrast to two-dimensional system, no significant slowing down in the growth is observed. There is also no evidence of any reverse coarsening of the domains.

  7. Liquid-liquid interfacial properties of a symmetrical Lennard-Jones binary mixture

    Energy Technology Data Exchange (ETDEWEB)

    Martínez-Ruiz, F. J.; Blas, F. J., E-mail: felipe@uhu.es [Laboratorio de Simulación Molecular y Química Computacional, CIQSO-Centro de Investigación en Química Sostenible and Departamento de Física Aplicada, Universidad de Huelva, 21007 Huelva (Spain); Moreno-Ventas Bravo, A. I. [Laboratorio de Simulación Molecular y Química Computacional, CIQSO-Centro de Investigación en Química Sostenible and Departamento de Geología, Universidad de Huelva, 21007 Huelva (Spain)

    2015-09-14

    We determine the interfacial properties of a symmetrical binary mixture of equal-sized spherical Lennard-Jones molecules, σ{sub 11} = σ{sub 22}, with the same dispersive energy between like species, ϵ{sub 11} = ϵ{sub 22}, but different dispersive energies between unlike species low enough to induce phase separation. We use the extensions of the improved version of the inhomogeneous long-range corrections of Janecek [J. Phys. Chem. B 110, 6264 (2006)], presented recently by MacDowell and Blas [J. Chem. Phys. 131, 074705 (2009)] and Martínez-Ruiz et al. [J. Chem. Phys. 141, 184701 (2014)], to deal with the interaction energy and microscopic components of the pressure tensor. We perform Monte Carlo simulations in the canonical ensemble to obtain the interfacial properties of the symmetrical mixture with different cut-off distances r{sub c} and in combination with the inhomogeneous long-range corrections. The pressure tensor is obtained using the mechanical (virial) and thermodynamic route. The liquid-liquid interfacial tension is also evaluated using three different procedures, the Irving-Kirkwood method, the difference between the macroscopic components of the pressure tensor, and the test-area methodology. This allows to check the validity of the recent extensions presented to deal with the contributions due to long-range corrections for intermolecular energy and pressure tensor in the case of binary mixtures that exhibit liquid-liquid immiscibility. In addition to the pressure tensor and the surface tension, we also obtain density profiles and coexistence densities and compositions as functions of pressure, at a given temperature. According to our results, the main effect of increasing the cut-off distance r{sub c} is to sharpen the liquid-liquid interface and to increase the width of the biphasic coexistence region. Particularly interesting is the presence of a relative minimum in the total density profiles of the symmetrical mixture. This minimum is related

  8. Computation of the acoustic nonlinearity parameter in organic liquid binary mixtures

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Based on Jacobson's molecular free length theory in liquids and the relationship between the ultrasonic velocity and the molecular free length in organic liquids,the equation of the acoustic nonlinearity parameter in organic liquid binary mixtures is derived.The calculated values from the equation are in good agreement both with those from Apfel's and from Sehgal's mixture laws.

  9. Short-range order and its effect on the electronic structure of binary alloys: CuZn - a case study

    Indian Academy of Sciences (India)

    Abhijit Mookerjee; Kartick Tarafder; Atisdipankar Chakrabarti; Kamal Krishna Saha

    2008-02-01

    We discuss an application of the generalized augmented space method introduced by one of us combined with the recursion method of Haydock et al (GASR) to the study of electronic structure and optical properties of random binary alloys. As an example, we have taken the 50-50 CuZn alloy, where neutron scattering indicates the existence of short-range order.

  10. Identification of the heat transfer coefficient in the two-dimensional model of binary alloy solidification

    Science.gov (United States)

    Hetmaniok, Edyta; Hristov, Jordan; Słota, Damian; Zielonka, Adam

    2017-05-01

    The paper presents the procedure for solving the inverse problem for the binary alloy solidification in a two-dimensional space. This is a continuation of some previous works of the authors investigating a similar problem but in the one-dimensional domain. Goal of the problem consists in identification of the heat transfer coefficient on boundary of the region and in reconstruction of the temperature distribution inside the considered region in case when the temperature measurements in selected points of the alloy are known. Mathematical model of the problem is based on the heat conduction equation with the substitute thermal capacity and with the liquidus and solidus temperatures varying in dependance on the concentration of the alloy component. For describing this concentration the Scheil model is used. Investigated procedure involves also the parallelized Ant Colony Optimization algorithm applied for minimizing a functional expressing the error of approximate solution.

  11. Short-Range Wetting at Liquid Gallium-Bismuth Alloy Surfaces: X-Ray Measurements and Square-Gradient Theory

    OpenAIRE

    Huber, Patrick; Shpyrko, Oleg; Pershan, Peter S.; Ocko, Ben; DiMasi, Elaine; Deutsch, Moshe

    2003-01-01

    We present an x-ray reflectivity study of wetting at the free surface of the binary liquid metal alloy gallium-bismuth (Ga-Bi) in the region where the bulk phase separates into Bi-rich and Ga-rich liquid phases. The measurements reveal the evolution of the microscopic structure of the wetting films of the Bi-rich, low-surface-tension phase along several paths in the bulk phase diagram. The wetting of the Ga-rich bulk’s surface by a Bi-rich wetting film, the thickness of which is limited by gr...

  12. Liquid phase surface alloying of AZ91D magnesium alloy with Al and Ni powders

    Energy Technology Data Exchange (ETDEWEB)

    Elahi, Mohammad Reza, E-mail: m.r_elahi@alumni.ut.ac.ir [School of Metallurgy and Materials, College of Engineering, University of Tehran, Tehran (Iran, Islamic Republic of); Sohi, Mahmoud Heydarzadeh; Safaei, Abdolghayoom [School of Metallurgy and Materials, College of Engineering, University of Tehran, Tehran (Iran, Islamic Republic of)

    2012-05-15

    In this paper, liquid phase surface alloying of AZ91D magnesium alloy was carried out by pre-placing of Al and Ni powder mixture and subsequent tungsten inert gas (TIG) melting process. The effects of TIG processing parameters on both microstructures and resulting hardness were investigated. Microstructures of alloyed layers were studied by optical microscope, and scanning electron microscope equipped with energy dispersive X-ray spectroscopy (EDS) analyzer, and the phases were identified by X-ray diffraction analysis. The microhardness of the surface alloyed layer was also measured. The surface hardness was increased from 80 HV{sub 0.1} for AZ91D magnesium alloy to as high as 162 HV{sub 0.1} for alloyed sample due to the formation of Mg{sub 17}Al{sub 12} and AlNi{sub 3} intermetallic compounds in the alloyed region and structural refinement. Hardness improvement reduced the wear rate of the surface alloyed layer to almost half of that of the untreated substrate.

  13. Effect of the third element on the structure of liquid Mg{sub 65}Cu{sub 25}Y{sub 10} alloy

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Dan [Key Laboratory for Liquid–Solid Structural Evolution and Processing of Materials (Ministry of Education), Shandong University, Jinan 250061 (China); Weihai Wanfeng Magnesium Industry Science and Technology Development Co. Ltd., Weihai 264209 (China); Zhu, Xun Ming [Weihai Wanfeng Magnesium Industry Science and Technology Development Co. Ltd., Weihai 264209 (China); Qin, Jing Yu, E-mail: qinjy@sdu.edu.cn [Key Laboratory for Liquid–Solid Structural Evolution and Processing of Materials (Ministry of Education), Shandong University, Jinan 250061 (China); Duan, Jun Peng; Wang, Ai Min [Weihai Wanfeng Magnesium Industry Science and Technology Development Co. Ltd., Weihai 264209 (China); Gu, Ting Kun [School of Electrical Engineering, Shandong University, Jinan 250061 (China)

    2016-08-12

    The liquid structures of Mg{sub 65}Cu{sub 25}Y{sub 10} and its three homologous binary liquid alloys are investigated via ab initio molecular dynamics in the present work. The chemical and topological environments in all four liquid alloys are analyzed using pair distribution function, coordination number, and the Voronoi polyhedron. It shows that the Cu atoms play significant role in deciding the chemical and topological short-range orders of the Mg{sub 65}Cu{sub 25}Y{sub 10} liquid alloy. The Voronoi polyhedra in the ternary liquid alloy illustrate less varieties and longer lifetime. Moreover, the diffusion coefficients are decreased significantly in the ternary liquid alloys according to the mean square displacements. All above offer a deeper insight into how the three species work in the Mg{sub 65}Cu{sub 25}Y{sub 10} liquid alloy. - Highlights: • Cu plays crucial role in Mg{sub 65}Cu{sub 25}Y{sub 10}'s chemical and topological SROs. • Additive elements decrease varieties and prolong lifetimes of Voronoi polyhedra. • Additive elements hinder the diffusion of Mg and Y efficiently.

  14. Modelling of binary alloy solidification in the MEPHISTO experiment

    Science.gov (United States)

    Leonardi, Eddie; de Vahl Davis, Graham; Timchenko, Victoria; Chen, Peter; Abbaschian, Reza

    2004-05-01

    A modified enthalpy method was used to numerically model experiments on solidification of a bismuth-tin alloy which were performed during the 1997 flight of the MEPHISTO-4 experiment on the US Space Shuttle Columbia. This modified enthalpy method was incorporated into an in-house code SOLCON and a commercial CFD code CFX; Soret effect was taken into account by including an additional thermo-diffusion term into the solute transport equation and the effects of thermal and solutal convection in the microgravity environment and of concentration-dependent melting temperature on the phase change processes were also included. In this paper an overview of the results obtained as part of MEPHISTO project is presented. The numerical solutions are compared with actual microprobe results obtained from the MEPHISTO experiment. To cite this article: E. Leonardi et al., C. R. Mecanique 332 (2004).

  15. Diffusion dynamics in liquid and undercooled Al-Ni alloys

    Energy Technology Data Exchange (ETDEWEB)

    Stueber, Sebastian

    2009-10-05

    This work presents data on Ni self-diffusion in binary Al-Ni alloys with high precision. For this, we combined two techniques: containerless electromagnetic levitation to position the samples, and neutron time-of-flight spectroscopy to measure the decay of the self-correlation. This combination offers new measurement ranges, especially at low temperatures, several hundreds of Kelvin below the liquidus temperature. Because without container, the primary cristallization seeds for the metallic melt are avoided. But it is also possible to measure reactive samples, and at very high temperatures at and above 2000K, as problematic reactions with the containing cask won't occur. Furthermore this technique also enables measurements at higher momentum transfer q, as one does not have to limit the q-range of the measurement to avoid Bragg peaks of the solid container material. By this time-of-flight spectroscopy on levitated metallic melts, it is possible to determine the Ni self-diffusion in these alloys directly and on an absolute scale. The dependence of the Ni self-diffusion coefficient on temperature and concentration was studied in pure Ni and binary Al-Ni alloys. In a temperature range of several hundred degrees, we always found Arrhenius-like temperature dependence of the diffusion, irrespective of possible undercooling. In the context of these measurements, we also studied the interdependence between diffusivity in the metallic melt and its quasielastic structure factor. Time-of-flight spectroscopy made it also possible to derive the dynamic partial structure factors of the binary alloy Al{sub 80}Ni{sub 20}. All this to enable a better understanding of the atomic processes in the metallic melt, especially of the undercooled melt, as an alloy is always formed out of the (undercooled) melt of its stoichiometric compounds. For this, material transport and diffusion are immensely important. The final goal would be materials design from the melt, i.e. the prediction

  16. Thermodynamic and structural properties of Bi-based liquid alloys

    Science.gov (United States)

    Yadav, S. K.; Jha, L. N.; Adhikari, D.

    2015-10-01

    Thermodynamic and microscopic structural properties of two Bi-based liquid alloys, such as In-Bi at 900 K and Tl-Bi at 750 K have been studied employing the regular associated solution model. We have estimated the mole fractions of the complexes and the free monomers assuming the existence of complexes In2 Bi in In-Bi melt and TlBi in Tl-Bi melt. The thermodynamic properties have been studied by computing the Gibbs free energy of mixing, enthalpy of mixing, entropy of mixing and activities of the monomers. The compositional contributions of the heat associated with the formation of complexes and the heat of mixing of the monomers to the net enthalpy change has also been studied. The structural properties of the liquid alloys have been studied by computing concentration fluctuation in the long-wavelength limit, chemical short-range order parameter and the ratio of mutual to intrinsic diffusion coefficients. For both of the alloy systems, the theoretical as well as the experimental values of SCC (0) are found to be lower than the corresponding ideal values over the whole composition range, indicating the hetero-coordinating nature of Bi-In and Bi-Tl alloy melts. All the interaction energy parameters are found to be negative and temperature dependent, and both the alloy systems are found to be weakly interacting.

  17. Binary, ternary and quaternary liquid-liquid equilibria in 1-butanol, oleic acid, water and n-heptane mixtures

    NARCIS (Netherlands)

    Winkelman, J. G. M.; Kraai, G. N.; Heeres, H. J.

    2009-01-01

    This work reports on liquid-liquid equilibria in the system 1-butanol, oleic acid, water and n-heptane used for biphasic, lipase catalysed esterifications. The literature was studied on the mutual solubility in binary systems of water and each of the organic components. Experimental results were obt

  18. Phase equilibria of Fe-C binary alloys in a magnetic field

    Science.gov (United States)

    England, Roger Dale

    The deployment of high flux magnetic processing in industry requires the ability to model the expected results of a proposed processing, and the current assumptions in the literature did not reflect the actual outcome in measurements of ductile iron. Simple binary iron-carbon alloys of less than one weight percent carbon were thermo-magnetically processed and then compared with Gibbs free energy phase transformation predictions. The data was used to quantify the change in the Gibbs free energy associated with the addition of a static high flux magnetic field, which is complicated by the change in magnetic response as the iron carbon alloys pass through the Curie point. A current common practice is to modify Gibbs free energy by -12J per mole per Tesla applied, as has been reported in the literature. This current prediction practice was employed in initial experiments for this work and the experimental data did not agree with these predicted values. This work suggests two specific influences that affect the model, chemistry and magnetic dipole changes. First, that the influence of alloying elements in the original chemistry, as the samples in the literature were a manganese alloy with 0.45 weight percent carbon, as well as not being precisely controlled for tramp elements that commonly occur in recycled material, created a change that was not predicted and therefore the temperatures were incorrect. Also, the phase transformation in a high flux magnetic field was measured to have a different response under warming versus cooling than the normal hysteresis under ambient magnetism. The change in Gibbs free energy for the binary alloys was calculated as -3J per mole per Tesla in warming, and -8J per mole per tesla in cooling. The change from these values to the -12J per mole per Tesla previously reported is attributed to the change in chemistry. This work attributes the published increase in physical properties to the Hall-Petch relation as a result of the finer product

  19. Injectable liquid alkali alloy based-tumor thermal ablation therapy.

    Science.gov (United States)

    Rao, Wei; Liu, Jing

    2009-01-01

    The alkali metal was recently found to be a very useful agent for inducing minimally invasive tumor hyperthermia therapy. However, the solid-like metal makes it somewhat inconvenient to perform the surgery. Here, to overcome this drawback, the NaK alloy in liquid state at room temperature was proposed as a highly efficient thermal ablative agent for tumor treatment. For illustration purposes, the functionalized liquid NaK alloy at a mass ratio 1:1 was obtained and an amount of 0.35 ml was injected into in vitro pork. The sizes of the damage region and temperature response were measured. It was found that significant temperature increase by a magnitude of > 80 degrees C can easily be obtained. This produced a large coagulation and necrotic area within selected areas for in vitro tests and the necrotic region volume is three times that of the NaK injection quantity. Furthermore, for the in vivo experiment, breast EMT6 tumor in mouse was subjected to treatment by NaK alloy. Tumor was harvested after the experiment to assess its viability. Histological section showed complete necrosis at the target site. These conceptual results demonstrate that using injectable liquid alkali alloy to ablate tumor is rather promising. This study also raised interesting issues waiting for clarification in future technical and animal studies aiming to assess efficacy, side effects and safety of the new therapy.

  20. Evaporation dynamics and Marangoni number estimation for sessile picoliter liquid drop of binary mixture solution

    Directory of Open Access Journals (Sweden)

    Lebedev-Stepanov Peter

    2016-01-01

    Full Text Available We propose the evaporation model of picoliter sessile drop of binary solvent mixture (with infinitely soluble in each other components based on Hu and Larson solution for single solvent sessile drop and Raoult law for saturated vapor density of components of binary mixture in wide range of undimensional molar binary concentration of the components. Concentration Marangoni number estimation for such a system is also considered for prediction of liquid flows structure for further applications in dissipative particle dynamics in binary mixture evaporating drop.

  1. Structural studies of liquid Co–Sn alloys

    Science.gov (United States)

    Yakymovych, A.; Shtablavyi, I.; Mudry, S.

    2014-01-01

    An analysis of the structure features of liquid Co–Sn alloys has been performed by means of X-ray diffraction method, viscosity coefficient analysis and computer simulation method. The X-ray diffraction investigations were carried out over a wide concentration range at the temperature 1473 K. It was found that the structure of these alloys can be described in the frame of independent X-ray scattering model. The viscosity coefficient was calculated by an excess entropy scaling and compared with experimental data. PMID:25328282

  2. Structural studies of liquid Co-Sn alloys.

    Science.gov (United States)

    Yakymovych, A; Shtablavyi, I; Mudry, S

    2014-10-15

    An analysis of the structure features of liquid Co-Sn alloys has been performed by means of X-ray diffraction method, viscosity coefficient analysis and computer simulation method. The X-ray diffraction investigations were carried out over a wide concentration range at the temperature 1473 K. It was found that the structure of these alloys can be described in the frame of independent X-ray scattering model. The viscosity coefficient was calculated by an excess entropy scaling and compared with experimental data.

  3. Studying Cu Alloy Corrosion Products in Cooling Liquid

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The effect of cooiing liquid used for heat exchangers on the Cu alloy corrosion products has been examined using potential-time measurements under applied current condition (anodizing), potentiodynamic polarization, X-ray diffraction (XRD) and infrared spectroscopy (IR). The corrosion products formed on the Cu alloy surface during anodizing, are Cu2O, Cu2(OH)3CI, and Cu2S. NaCI is detected in the corrosion products. The film formation depends on the applied current and the shift of potential to nobler direction indicates its formation progress.

  4. Effects of Surface Structure and Chemical Composition of Binary Ti Alloys on Cell Differentiation

    Directory of Open Access Journals (Sweden)

    Ok-Sung Han

    2016-07-01

    Full Text Available Binary Ti alloys containing Fe, Mo, V and Zr were micro-arc oxidized and hydrothermally treated to obtain micro- and nano-porous layers. This study aimed to investigate cell differentiation on micro and micro/nanoporous oxide layers of Ti alloys. The properties of the porous layer formed on Ti alloys were characterized by X-ray diffraction pattern, microstructural and elemental analyses and inductively coupled plasma mass spectrometry (ICP-MS method. The MTT assay, total protein production and alkaline phosphatase (ALPase activity were evaluated using human osteoblast-like cells (MG-63. Microporous structures of micro-arc oxidized Ti alloys were changed to micro/nanoporous surfaces after hydrothermal treatment. Micro/nanoporous surfaces consisted of acicular TiO2 nanoparticles and micron-sized hydroxyapatite particles. From ICP and MTT tests, the Mo and V ions released from porous oxide layers were positive for cell viability, while the released Fe ions were negative for cell viability. Although the micro/nanoporous surfaces led to a lower total protein content than the polished and microporous Ti surfaces after cell incubation for 7 days, they caused higher ALPase activities after 7 days and 14 days of incubation except for V-containing microporous surfaces. The micro/nanoporous surfaces of Ti alloys were more efficient in inducing MG-63 cell differentiation.

  5. Modeling of surface melting and resolidification for pure metals and binary alloys: Effect of non-equilibrium kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Wang, G.X.; Matthys, E.F. [Univ. of California, Santa Barbara, CA (United States). Dept. of Mechanical and Environmental Engineering

    1995-12-31

    A one-dimensional model including non-equilibrium phenomena was developed for surface melting and resolidification of both pure metals and binary alloys substrates. Non-equilibrium kinetics from crystal growth theory are introduced in the model to treat both non-equilibrium melting and resolidification. The modelled problem involves a moving boundary with both heat and solute diffusions and is solved by an implicit control volume integral method with solid/liquid interface immobilization by coordinate transformation. For illustration of the model applicability, the authors have analyzed laser surface melting of pure metals (Al, Cu, Ni, Ti) and dilute Al-Cu alloys, and some typical results are presented. The computation results show large solid overheating and melt undercooling which result from the high heat flux and the slow kinetics. The melt undercooling is maintained during most of the resolidification process and so is the high solidification rate. Complex interface velocity variations during the earlier stages of resolidification were obtained and result from interactions between various physical mechanisms. A strong effect of the solute on the interface velocity was also predicted.

  6. Sn-Sb-Se based binary and ternary alloys for phase change memory applications

    Energy Technology Data Exchange (ETDEWEB)

    Chung, Kyung-Min

    2008-10-28

    In this work, the effect of replacing Ge by Sn and Te by Se was studied for a systematic understanding and prediction of new potential candidates for phase change random access memories applications. The temperature dependence of the electrical/structural properties and crystallization kinetics of the Sn-Se based binary and Sn-Sb-Se based ternary alloys were determined and compared with those of the GeTe and Ge-Sb-Te system. The temperature dependence of electrical and structural properties were investigated by van der Pauw measurements, X-ray diffraction, X-ray reflectometry. By varying the heating rate, the Kissinger analysis has been used to determine the combined activation barrier for crystallization. To screen the kinetics of crystallization, a static laser tester was employed. In case of binary alloys of the type Sn{sub x}Se{sub 1-x}, the most interesting candidate is SnSe{sub 2} since it crystallizes into a single crystalline phase and has high electrical contrast and reasonably high activation energy for crystallization. In addition, the SnSe{sub 2}-Sb{sub 2}Se{sub 3} pseudobinary alloy system also might be sufficient for data retention due to their higher transition temperature and activation energy for crystallization in comparison to GeTe-Sb{sub 2}Te{sub 3} system. Furthermore, SnSe{sub 2}-Sb{sub 2}Se{sub 3} pseudobinary alloys have a higher crystalline resistivity. The desired rapid crystallization speed can be obtained for Sn{sub 1}Sb{sub 2}Se{sub 5} and Sn{sub 2}Sb{sub 2}Se{sub 7} alloys. (orig.)

  7. Microstructure and mechanical behavior of metal injection molded Ti-Nb binary alloys as biomedical material.

    Science.gov (United States)

    Zhao, Dapeng; Chang, Keke; Ebel, Thomas; Qian, Ma; Willumeit, Regine; Yan, Ming; Pyczak, Florian

    2013-12-01

    The application of titanium (Ti) based biomedical materials which are widely used at present, such as commercially pure titanium (CP-Ti) and Ti-6Al-4V, are limited by the mismatch of Young's modulus between the implant and the bones, the high costs of products, and the difficulty of producing complex shapes of materials by conventional methods. Niobium (Nb) is a non-toxic element with strong β stabilizing effect in Ti alloys, which makes Ti-Nb based alloys attractive for implant application. Metal injection molding (MIM) is a cost-efficient near-net shape process. Thus, it attracts growing interest for the processing of Ti and Ti alloys as biomaterial. In this investigation, metal injection molding was applied to the fabrication of a series of Ti-Nb binary alloys with niobium content ranging from 10wt% to 22wt%, and CP-Ti for comparison. Specimens were characterized by melt extraction, optical microscopy, X-ray diffraction (XRD), scanning electron microscopy (SEM), energy-dispersive spectroscopy (EDS), and transmission electron microscopy (TEM). Titanium carbide formation was observed in all the as-sintered Ti-Nb binary alloys but not in the as-sintered CP-Ti. Selected area electron diffraction (SAED) patterns revealed that the carbides are Ti2C. It was found that with increasing niobium content from 0% to 22%, the porosity increased from about 1.6% to 5.8%, and the carbide area fraction increased from 0% to about 1.8% in the as-sintered samples. The effects of niobium content, porosity and titanium carbides on mechanical properties have been discussed. The as-sintered Ti-Nb specimens exhibited an excellent combination of high tensile strength and low Young's modulus, but relatively low ductility. © 2013 Elsevier Ltd. All rights reserved.

  8. Phase Stability, Kinetic Diagrams and Diffusion Path in High Temperature Oxidation of Binary Solid-Solution Alloys

    Institute of Scientific and Technical Information of China (English)

    Yan NIU; F. Gesmundo

    2003-01-01

    The phase diagrams of ternary systems involving two metal components and one oxidant are considered first, the limitations to their use is discussed in relation to the high temperature oxidation of binary alloys. Kinetic diagrams,which are useful to predict the conditions for the stability of the two mutually insoluble oxides as the external scale, are then calculated on the basis of thermodynamic and kinetic data concerning both the alloys and the oxides, assuming the validity of the parabolic rate law. A combination of the two types of diagrams provides a more detail information about the oxidation behavior of binary alloys. The calculation of the diffusion paths, which relate the oxidant pressure to the composition of the system in terms of the alloy components both in the alloy and in the scale during an initial stage of the reaction in the presence of the parabolic rate law, is finally developed.

  9. Electric field fluctuations in liquid tellurium alloys a hint to bond character

    NARCIS (Netherlands)

    Paulick, C.A.; Brinkmann, R.; Elwenspoek, Michael Curt; von Hartrott, M.; Kiehl, M.; Maxim, P.; Quitmann, D.

    1985-01-01

    Atomic scale electric field fluctuations in liquid tellurium alloys are detected as they induce nuclear spin relaxation rate RQ in noble gas impurity atoms, via quadrupolar interaction. Results for Xe in liquid Ag, Ga, In, Tl, Ge, Sn---Te alloys are discussed, assuming that bonding in these alloys

  10. Decomposition mechanism in supercooled liquid alloys.

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, W. L.; Loffler, J. F.; Thiyagarajan, P.

    1999-07-12

    The authors performed small-angle neutron scattering experiments on the bulk amorphous alloy Zr{sub 41.2}Ti{sub 13.8}Cu{sub 12.5}Ni{sub 10}Be{sub 22.5} (Vit1{reg_sign}) and on further alloys, where the ZrTi and CuBe content have been changed, following the tie-line in the direction of Zr{sub 46.8}Ti{sub 8.2}Cu{sub 7.5}Ni{sub 10}Be{sub 27.5} (Vit4{reg_sign}). The SANS data of the samples, preannealed at temperatures between 330 C and 390 C, show interference peaks giving evidence for spatially correlated arrangements of inhomogeneities. The Q values of the interference peaks, Q{sub max}, decrease with increasing annealing temperature T{sub a} and, at a given annealing temperature, with composition following the tie-line from Vit1 to Vit4. They find that, in two distinguished regimes, the data follow a relation 1/L{sup 2} {proportional_to} T{sub a} as predicted by Cahn's theory (L = 2{pi}/Q{sub max} is the wavelength of the decomposition), with a crossover at the glass transition temperature T{sub g} = 350 C. The authors explain the crossover by different diffusion mechanisms below and above T{sub g}.

  11. Isobaric Vapor—Liquid Equilibrium for Methyldichlorosilane+Methylvinyldichlorosilane+Toluene and Constituent Binary Systems

    Institute of Scientific and Technical Information of China (English)

    邱祖民; 孙Wei; 余淑娴; 余祖兵

    2003-01-01

    Vapor-liquid euilibrium (VLE) for a ternary system of Methyldichlorosilane+methylvinyldichlorosilane+toluene and constituent binary systems were measured at 101.3kPa using a new type of magnetical pump-ebulliometer,The equilibrium conpositions of the vapor phase of binary systems were calculated indirectly from the total pressure-temperature-liquid composition(pTx).The experimental data were correlated with the Wilson and NRTL(non-random two liquid )equations.The parameters of the Wilson moldel were employed to predict the ternary VLE data .The calculated boiling points were in good agreement with the experimental ones.

  12. Effect of Brownian Coagulation on the Liquid-liquid Decomposition in Gas-atomized Alloy Drops

    Institute of Scientific and Technical Information of China (English)

    Jiuzhou ZHAO; Lingling GAO; Jie HE; L.Ratke

    2006-01-01

    Modeling and simulation have been carried out for Al-Pb alloys to investigate the Brownian coagulation effect on the microstructure development in a gas-atomized drop during the liquid-liquid decomposition.The results indicate that Brownian coagulation has a weak effect on the nucleation and a relatively strong effect on coarsening the minority phase droplets. The influence of Brownian coagulation on the liquid-liquid decomposition decreases with the increase in the diameter (or the decrease in the cooling rate) of the atomized drop.

  13. Preparation of ferromagnetic binary alloy fine fibers byorganic gel-thermal reduction process

    Institute of Scientific and Technical Information of China (English)

    SHEN Xiang-qian; CAO Kai; ZHOU Jian-xin

    2006-01-01

    Ferromagnetic metal fibers with a high aspect ratio (length/diameter) are attractive for use as high performance electromagnetic interference shielding materials. Ferromagnetic binary alloy fine fibers of iron-nickel, iron-cobalt and cobalt-nickel were prepared by the organic gel-thermal reduction process from the raw materials of critic acid and metal salts. These alloy fibers synthesized were featured with a diameter of about 1 μm and a length as long as 1 m. The structure, thermal decomposition process and morphologies of the gel precursors and fibers derived from thermal reduction of the gel precursors were characterized by FTIR, XRD, TG/DSC and SEM. The gel spinnability largely depends on the molecular structure of metal- carboxylates formed during the gel formation. The gel consisting of linear-type structural molecules shows good spinnability.

  14. Counter electrodes from binary ruthenium selenide alloys for dye-sensitized solar cells

    Science.gov (United States)

    Li, Pinjiang; Cai, Hongyuan; Tang, Qunwei; He, Benlin; Lin, Lin

    2014-12-01

    Dye-sensitized solar cell (DSSC) is a promising solution to global energy and environmental problems because of its merits on clean, cost-effectiveness, relatively high efficiency, and easy fabrication. However, the reduction of fabrication cost without sacrifice of power conversion efficiencies of the DSSCs is a golden rule for their commercialization. Here we design a new binary ruthenium selenide (Ru-Se) alloy counter electrodes (CEs) by a low-temperature hydrothermal reduction method. The electrochemical behaviors are evaluated by cyclic voltammogram, electrochemical impedance, and Tafel measurements, giving an optimized Ru/Se molar ratio of 1:1. The DSSC device with RuSe alloy CE achieves a power conversion efficiency of 7.15%, which is higher than 5.79% from Pt-only CE based DSSC. The new concept, easy process along with promising results provide a new approach for reducing cost but enhancing photovoltaic performances of DSSCs.

  15. Magnetic dichroism effect of binary alloys using circularly-polarized x-ray

    Energy Technology Data Exchange (ETDEWEB)

    Wu, S. Z.; Schumann, F.O.; Willis, R.F.; Goodman, K.W.; Tobin, J.G.; Carr, R.

    1997-05-01

    We have studies the magnetic propertied of CoNi binary alloy films with various atomic compositions using soft x-ray magnetic circular dichroism (XMCD) technique. The alloy films were deposited on single Cu(100) crystals in situ using our well-established epitaxial growth technique to achieve a layer-by-layer growth and a metastable fcc structure, with all films exhibiting an in-plane magnetic anistrophy. Utilizing the element-specific ability and nanostructure magnetization sensitivity of this technique, we have been able to perform the absorption measurements at L2 and L3 edge of Co and Ni atoms and observed large dichroism signals. The extraction of spin moment and orbital moment for varying elemental stoichiometry using magneto- optical sum rules is discussed.

  16. Screening-Dependent Study of Superconductivity in 3d-Transition Metals Binary Alloys Superconductors

    Institute of Scientific and Technical Information of China (English)

    Aditya M. Vora

    2009-01-01

    In the present article, we report the screening-dependent study of the superconducting state parameters (SSPs), viz. electron-phonon coupling strength A, Coulomb pseudopotential μ*, transition temperature Tc, isotope effect exponent a, and effective interaction strength NoV of 3d-band transition metals binary alloys superconductors have been made extensively in the present work using a model potential formalism and employing the pseudo-alloy-atom (PAA) model for the first time. Five local field correction functions proposed by Hartree (H), Taylor (T), Ichimaxu-Utsumi (IU), Farid et al. (F) and Sarkar et al. (S) are used in the present investigation to study the screening influence on the aforesaid properties. The present results of the SSPs obtained from H-screening are found in qualitative agreement with the available experimental data wherever exist.

  17. MICROSTRUCTURE OF BINARY Mg-Al EUTECTIC ALLOY WIRES PRODUCED BY THE OHNO CONTINUOUS CASTING PROCESS

    Institute of Scientific and Technical Information of China (English)

    Z.M.Zhang; T.Lū; C.J.Xu; X.F.Guo

    2008-01-01

    Directionally solidified binary Mg-Al eutectic alloy wires of approximately 5 mm in diameter were produced by the Ohno continuous casting (OCC) process and the mi-crostructure was examined.It was found that the wires possess obvious unidirectional growth characteristic along its axial direction.The microstructure consists of parallel columnar grains that resulted from the competitive growth of equiaxed grains solidified on the head of dummy bar.Each columnar grain comprises regular eutectic α-Mg and β-Mg17 Al12 phases,which grew along the axial direction of the wires.The morphology of the eutectic is mainly lameUar,meanwhile rod eutectic exists.The formation of rod eutectic was attributed to the "bridging effect" caused by incidental elements in the alloy.

  18. Effect of solutes in binary columbium /Nb/ alloys on creep strength

    Science.gov (United States)

    Klein, M. J.; Metcalfe, A. G.

    1973-01-01

    The effect of seven different solutes in binary columbium (Nb) alloys on creep strength was determined from 1400 to 3400 F for solute concentrations to 20 at.%, using a new method of creep-strength measurement. The technique permits rapid determination of approximate creep strength over a large temperature span. All of the elements were found to increase the creep strength of columbium except tantalum. This element did not strengthen columbium until the concentration exceeded 10 at.%. Hafnium, zirconium, and vanadium strengthed columbium most at low temperatures and concentrations, whereas tungsten, molybdenum, and rhenium contributed more to creep strength at high temperatures and concentrations.

  19. 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.

  20. Domain of oscillatory growth in directional solidification of dilute binary alloys.

    Science.gov (United States)

    Babushkina, Evgenia; Bessonov, Nicholas M; Korzhenevskii, Alexander L; Bausch, Richard; Schmitz, Rudi

    2013-04-01

    The oscillatory growth of a dilute binary alloy has recently been described by a nonlinear oscillator equation that applies to small temperature gradients and large growth velocities in the setup of directional solidification. Based on a one-dimensional stability analysis of stationary solutions of this equation, we explore in the present paper the complete region where the solidification front propagates in an oscillatory way. The boundary of this region is calculated exactly, and the nature of the oscillations is evaluated numerically in several segments of the region.

  1. Phase field modeling of multiple dendrite growth of AI-Si binary alloy under isothermal solidification

    Institute of Scientific and Technical Information of China (English)

    Sun Qiang; Zhang Yutuo; Cui Haixia; Wang Chengzhi

    2008-01-01

    Phase field method offers the prospect of being able to perform realistic numerical experiments on dendrite growth in metallic systems. In this study, the growth process of multiple dendrites in Ai-2-mole-%-Si binary alloy under isothermal solidification was simulated using phase field model. The simulation results showed the impingement of arbitrarily oriented crystals and the competitive growth among the grains during solidification. With the increase of growing time, the grains begin to coalesce and impinge the adjacent grains. When the dendrites start to impinge, the dendrite growth is obviously inhibited.

  2. Morphological and crystallographic evolution of bainite transformation in Fe-0.15C binary alloy.

    Science.gov (United States)

    Zhang, Di; Terasaki, Hidenori; Komizo, Yuichi

    2010-01-01

    In this article, an in situ observation method, combining laser scanning confocal microscopy and electron backscattering diffraction, was used to investigate the morphological and crystallographic evolution of bainite transformation in a Fe-0.15C binary alloy. The nucleation at a grain boundary and inclusions, sympathetic nucleation, and impingement event of bainitic ferrite were directly shown in real time. The variant evolution during bainite transformation and misorientation between bainitic ferrites were clarified. Strong variant selection was observed during sympathetic nucleation. (c) 2009 Wiley-Liss, Inc.

  3. GPU phase-field lattice Boltzmann simulations of growth and motion of a binary alloy dendrite

    Science.gov (United States)

    Takaki, T.; Rojas, R.; Ohno, M.; Shimokawabe, T.; Aoki, T.

    2015-06-01

    A GPU code has been developed for a phase-field lattice Boltzmann (PFLB) method, which can simulate the dendritic growth with motion of solids in a dilute binary alloy melt. The GPU accelerated PFLB method has been implemented using CUDA C. The equiaxed dendritic growth in a shear flow and settling condition have been simulated by the developed GPU code. It has been confirmed that the PFLB simulations were efficiently accelerated by introducing the GPU computation. The characteristic dendrite morphologies which depend on the melt flow and the motion of the dendrite could also be confirmed by the simulations.

  4. Fatigue Resistance of Liquid-assisted Self-repairing Aluminum Alloys Reinforced with Shape Memory Alloys

    Science.gov (United States)

    Wright, M. Clara; Manuel, Michele; Wallace, Terryl

    2013-01-01

    A self-repairing aluminum-based composite system has been developed using a liquid-assisted healing theory in conjunction with the shape memory effect of wire reinforcements. The metal-metal composite was thermodynamically designed to have a matrix with a relatively even dispersion of a low-melting eutectic phase, allowing for repair of cracks at a predetermined temperature. Additionally, shape memory alloy (SMA) wire reinforcements were used within the composite to provide crack closure. Investigators focused the research on fatigue cracks propagating through the matrix in order to show a proof-of-concept Shape Memory Alloy Self-Healing (SMASH) technology for aeronautical applications.

  5. A numerical analysis on the freeze coating of a non-isothermal flat plate with a binary alloy

    Energy Technology Data Exchange (ETDEWEB)

    Nam, J.H. [Seoul National University Graduate School, Seoul (Korea); Kim, C.J. [Seoul National University, Seoul (Korea)

    2000-11-01

    A numerical analysis on the freeze coating process of a non-isothermal finite dimensional plate with a binary alloy is performed to investigate the growth and decay behavior of the solid and the mushy layer of the freeze coat and a complete procedure to calculate the process is obtained in this study. The continuously varying solid and mushy layers are immobilized by a coordinate transform and the resulting governing differential equations are solved by a finite difference technique. To account for the latent heat release and property change during solidification, proper phase change models are adopted. And the convection in the liquid melt is modeled as an appropriate heat transfer boundary condition at the liquid/mushy interface. The present results are compared with analytic solutions derived for the freeze coating of infinite dimensional plates and the discrepancy is found to be less than 0.5 percent in relative magnitude for all simulation cases. In addition the conservation of thermal energy is checked. The results show that the freeze coat grows proportional to the 1/2 square of axial position as predicted by analytic solutions at first. But after the short period of initial growth, the growth rate of the freeze coat gradually decreases and finally the freeze coat are also investigated. (author). 11 refs., 10 figs., 1 tab.

  6. Influence of cooling rate on microstructure formation during rapid solidification of binary TiAl alloys

    Energy Technology Data Exchange (ETDEWEB)

    Kenel, C., E-mail: Christoph.Kenel@empa.ch; Leinenbach, C.

    2015-07-15

    Highlights: • Rapid solidification studies with varying cooling rates were realized for Ti–Al. • Experiments were combined with finite element simulations of heat transfer. • The resulting microstructure of Ti–Al alloys is strongly dependent on the Al content. • The microstructure and phase transformation behavior can be predicted. • The method allows alloy development for processes involving rapid solidification. - Abstract: Titanium aluminides as structural intermetallics are possible candidates for a potential weight reduction and increased performance of high temperature components. A method for the characterization of the microstructure formation in rapidly solidified alloys was developed and applied for binary Ti–(44–48)Al (at.%). The results show a strong dependency of the microstructure on the Al content at cooling rates between 6 ⋅ 10{sup 2} and 1.5 ⋅ 10{sup 4} K s{sup −1}. The formation of α → α{sub 2} ordering, lamellar α{sub 2} + γ colonies and interdendritic TiAl γ-phase were observed, depending on the Al amount. Based on thermodynamic calculations the observed microstructure can be explained using the CALPHAD approach taking into account the non-equilibrium conditions. The presented method provides a useful tool for alloy development for processing techniques involving rapid solidification with varying cooling rates.

  7. Gadolinium solubility and precipitate identification in Mg-Gd binary alloy

    Institute of Scientific and Technical Information of China (English)

    PENG Qiuming; MA Ning; LI Hui

    2012-01-01

    Gadolinium (Gd) solubility in magnesium (Mg) matrix and precipitate composition in Mg-Gd binary alloys were investigated.The alloys containing different Gd contents (10 wt.%-35 wt.%) were employed to identify Gd solubility after annealing at different temperatures.It was confirmed that the maximum Gd solubility was 22.8 wt.% at 550 ℃ based on the regression analysis method.Mg5+xGd (0<x<2) and Mg3Gd precipitates coexisted in all investigated alloys owing to the strong component segregation during solidification.The fiaction of Mg5+xGd (0<x<2) was decreased with the increment of annealing temperature and time.In contrast,Mg3Gd precipitate could not be eliminated even when being annealed at 550 ℃.This thermal stable precipitate played a significant role in mechanical properties.Therefore,it is very necessary to consider the effect of Mg3Gd precipitate on properties of Mg-Gd based alloys in future.

  8. Ingredient Losses during Melting Binary Ni-Ti Shape Memory Alloys

    Institute of Scientific and Technical Information of China (English)

    S.K. Sadrnezhaad; S. Badakhshan Raz

    2005-01-01

    Losses of the alloying elements during vacuum induction melting of the binary NiTi alloys were evaluated by visual observation and chemical analysis of the NiTi melted specimens and the scalp formed on the internal surface of the crucible. The results indicated that the major sources of the losses were (a) evaporation of the metals, (b) formation of the NiTi scalp and (c) the sprinkling drops splashed out of the melt due to the exothermic reactions occurring between Ni and Ti to form the NiTi parent phase. Quantitative evaluations were made for the metallic losses by holding the molten alloy for 0.5, 3, 5, 10 and 15 min at around 100℃ above the melting point inside the crucible.Chemical analysis showed that there existed an optimum holding time of 3 min during which the alloying elements were only dropped to a predictable limit. Microstructure, chemical composition, shape memory and mechanical properties of the cast metal ingots were determined to indicate the appropriate achievements with the specified 3 min optimum holding time.

  9. Numerical simulation of recalescence of 3-dimensional isothermal solidification for binary alloy using phase-field approach

    Institute of Scientific and Technical Information of China (English)

    ZHU Chang-sheng; XIAO Rong-zhen; WANG Zhi-ping; FENG Li

    2009-01-01

    A accelerated arithmetic algorithm of the dynamic computing regions was designed, and 3-dimensional numerical simulation of isothermal solidification for a binary alloy was implemented. The dendritic growth and the recalescence of Ni-Cu binary alloy during the solidification at different cooling rates were investigated. The effects of cooling rate on dendritic patterns and microsegregation patterns were studied. The computed results indicate that, with the increment of the cooling rate, the dendritic growth velocity increases, both the main branch and side-branches become slender, the secondary dendrite arm spacing becomes smaller, the inadequate solute diffusion in solid aggravates, and the severity of microsegregation ahead of interface aggravates. At a higher cooling rate, the binary alloy presents recalescence; while the cooling rate is small, no recalescence occurs.

  10. Non-contact method for the measurement of the enthalpy of fusion applied to binary Zr alloys

    Energy Technology Data Exchange (ETDEWEB)

    Wunderlich, R.K.; Fecht, H.-J. [Ulm Univ. (Germany). Abt. Werkstoffe der Elektrotechnik

    2000-07-01

    A new method for noncontact measurement of the heat of fusion of metallic alloys has been developed. It was applied to reactive binary Zr alloys in an electromagnetic containerless processing device under reduced gravity conditions. The method is based on the evaluation of the power balance between induction heating and radiative heat loss during the melting transition. Input power was obtained from measurement of the inductive coupling between the specimen and the currents in the oscillating circuits of a heating and positioning generator. Output power was obtained by evaluation of the total hemispherical emissivity from measurement of the external relaxation time, and of the heat capacity by noncontact ac-calorimetry. The enthalpy and entropy of fusion of several binary metallic glass-forming Zr alloys such obtained exhibit a pronounced correlation with the specific heat capacity at the liquidus temperature suggesting a reduced ideal glass transition temperature almost independent of composition for these alloys. (orig.)

  11. The 2D Alternative Binary L—J System:Solid—Liquid Phase Diagram

    Institute of Scientific and Technical Information of China (English)

    ZHANGZhi; CHENLi-Rong

    2002-01-01

    The Lennard-Jones potential is introduced into the Collins model and is generalized to the two-dimensional alternative binary system.The Gibbs free energy of the binary system is calculated.According to the thermodynamic conditions of solid-liquid equilibrium,the “cigar-type ” phase diagram and the phase diagram with a minimum are obtained.The results are quite analogous to the behavior of three-dimensional substances.

  12. The 2D Alternative Binary L-J System: Solid-Liquid Phase Diagram

    Institute of Scientific and Technical Information of China (English)

    ZHANG Zhi; CHEN Li-Rong

    2002-01-01

    The Lennard-Jones potential is introduced into the Collins model and is generalized to the two-dimensionalalternative binary system. The Gibbs free energy of the binary system is calculated. According to the thermodynamicconditions of solid-liquid equilibrium, the "cigar-type" phase diagram and the phase diagram with a minimum areobtained. The results are quite analogous to the behavior of three-dimensional substances.

  13. Intermolecular forces in acetonitrile + ethanol binary liquid mixtures

    Science.gov (United States)

    Elangovan, A.; Shanmugam, R.; Arivazhagan, G.; Mahendraprabu, A.; Karthick, N. K.

    2015-10-01

    FTIR spectral measurements have been carried out on the binary mixtures of acetonitrile with ethanol at 1:0 (acetonitrile:ethanol), 1:1, 1:2, 1:3 and 0:1 at room temperature. DFT and isosurface calculations have been performed. The acetonitrile + ethanol binary mixtures consist of 1:1, 1:2, 1:3 and 1:4 complexes formed through both the red and blue shifting H-bonds. Inter as well as intra molecular forces are found to exist in 1:3 and 1:4 complexes.

  14. The two-dimensional alternative binary L-J system: liquid-gas phase diagram

    Institute of Scientific and Technical Information of China (English)

    张陟; 陈立溁

    2003-01-01

    A two-dimensional (2D) binary system without considering the Lennard-Jones (L-J) potential has been studied by using the Collins model. In this paper, we introduce the L-J potential into the 2D binary system and consider the existence of the holes that are called the "molecular fraction". The liquid-gas phase diagram of the 2D alternative binary L-J system is obtained. The results are quite analogous to the behaviour of 3D substances.

  15. Binary Cu-Zr Bulk Metallic Glasses

    Institute of Scientific and Technical Information of China (English)

    TANG Mei-Bo; ZHAO De-Qian; PAN Ming-Xiang; WANG Wei-Hua

    2004-01-01

    @@ We report that bulk metallic glasses (BMGs) can be produced up to 2 mm by a copper mould casting in Cux Zr1-x binary alloy with a wide glass forming composition range (45 < x < 60 at.%). We find that the formation mechanism for the binary Cu-Zr binary BMG-forming alloy is obviously different from that of the intensively studied multicomponent BMGs. Our results demonstrate that the criteria for the multicomponent alloys with composition near deep eutectic and strong liquid behaviour are no longer the major concern for designing BMGs.

  16. Plasma electrolytic oxidation coating of synthetic Al-Mg binary alloys

    Energy Technology Data Exchange (ETDEWEB)

    Tarakci, Mehmet, E-mail: mtarakci@gyte.edu.tr

    2011-12-15

    The binary Al-Mg synthetic alloys were prepared in a vacuum/atmosphere controlled furnace with the addition of 0.5, 1, 2, 4, 7, and 15 wt.% pure Mg into pure aluminum as substrate material. The surfaces of the Al-Mg alloys and pure aluminum were coated for 120 min by plasma electrolytic oxidation in the same electrolyte of 12 g/L sodium silicate and 2 g/L KOH in distilled water. The coating was characterized by X-ray diffraction, scanning electron microscopy, profilometry and Vickers microhardness measurements. There regions of loose outer layer, dense inner layer with precipitate like particles of {alpha}-Al{sub 2}O{sub 3} and a thin transition layer were identified for the coated samples. The coating thickness increases from 85 to 150 {mu}m with Mg contents in the alloys. The surface morphology becomes more porous and consequently surface roughness tends to increase with plasma electrolytic oxidation treatment and further with Mg content. The increase in magnesium content reduces the formation of {alpha}-Al{sub 2}O{sub 3} and crystalline mullite phases in the coating and decreases microhardness of coating. The Mg concentration is constant throughout the other loose and dense regions of coating though it gradually decreases in the thin inner region. - Research Highlights: Black-Right-Pointing-Pointer The average thickness of PEO coating of Al-Mg alloys increases with Mg content. Black-Right-Pointing-Pointer The addition of Mg reduces and prevents the formation of {alpha}-Al{sub 2}O{sub 3} and mullite. Black-Right-Pointing-Pointer The surface roughness increases with Mg content in the Al-Mg alloys. Black-Right-Pointing-Pointer The hardness values of the coating decreases with the Mg amount in the substrate. Black-Right-Pointing-Pointer The Mg concentration is constant throughout the main regions of coating.

  17. Surface properties of liquid In-Zn alloys

    Science.gov (United States)

    Pstruś, J.; Moser, Z.; Gąsior, W.

    2011-02-01

    The measurements of surface tension and density of zinc, indium and liquid In-Zn alloys containing 0.9, 0.85, 0.75, 0.70, 0.60, 0.40, 0.25 and 0.10 mole fraction of In were carried out using the method of maximum pressure in gaseous bubbles (MBP) as well as dilatometric technique. The technique of sessile drop was additionally applied in the measurements of surface tension for pure indium and zinc. The measurements were performed at temperature range 474-1151 K. The isotherms of surface tension calculated based on Butler's equation at 700 and 1100 K corresponded well with the experimental values for zinc content lower than 0.6 mole fraction. The surface tension calculated for alloys of higher zinc concentrations (0.6 < XZn < 0.95) had a positive value of the surface tension temperature coefficient (dσ/dT), which did not coincide with the experimental results. The density as well as molar volume of liquid In-Zn alloys showed almost identical behaviour like the ideal solutions. The observed little deviations were contained within assessed experimental errors.

  18. Surface properties of liquid In-Zn alloys

    Energy Technology Data Exchange (ETDEWEB)

    Pstrus, J., E-mail: nmpstrus@imim-pan.krakow.pl [Institute of Metallurgy and Materials Science, Polish Academy of Sciences, 25 Reymonta Str., 30-059 Krakow (Poland); Moser, Z.; Gasior, W. [Institute of Metallurgy and Materials Science, Polish Academy of Sciences, 25 Reymonta Str., 30-059 Krakow (Poland)

    2011-02-15

    The measurements of surface tension and density of zinc, indium and liquid In-Zn alloys containing 0.9, 0.85, 0.75, 0.70, 0.60, 0.40, 0.25 and 0.10 mole fraction of In were carried out using the method of maximum pressure in gaseous bubbles (MBP) as well as dilatometric technique. The technique of sessile drop was additionally applied in the measurements of surface tension for pure indium and zinc. The measurements were performed at temperature range 474-1151 K. The isotherms of surface tension calculated based on Butler's equation at 700 and 1100 K corresponded well with the experimental values for zinc content lower than 0.6 mole fraction. The surface tension calculated for alloys of higher zinc concentrations (0.6 < X{sub Zn} < 0.95) had a positive value of the surface tension temperature coefficient (d{sigma}/dT), which did not coincide with the experimental results. The density as well as molar volume of liquid In-Zn alloys showed almost identical behaviour like the ideal solutions. The observed little deviations were contained within assessed experimental errors.

  19. Deformation of nanocrystalline binary aluminum alloys with segregation of Mg, Co and Ti at grain boundaries

    Science.gov (United States)

    Zinovev, A. V.; Bapanina, M. G.; Babicheva, R. I.; Enikeev, N. A.; Dmitriev, S. V.; Zhou, K.

    2017-01-01

    The influence of the temperature and sort of alloying element on the deformation of the nanocrystalline (NC) binary Al alloys with segregation of 10.2 at % Ti, Co, or Mg over grain boundaries has been studied using the molecular dynamics. The deformation behavior of the materials has been studied in detail by the simulation of the shear deformation of various Al bicrystals with the grain-boundary segregation of impurity atoms, namely, Ti, Co, or Mg. The deformation of bicrystals with different grain orientation has been studied. It has been found that Co introduction into grain boundaries of NC Al has a strengthening effect due to the deceleration of the grain-boundary migration (GBM) and difficulty in the grain-boundary sliding (GBS). The Mg segregation at the boundaries greatly impedes the GBM, but stimulates the development of the GBS. In the NC alloy of Al-Ti, the GBM occurs actively, and the flow-stress values are close to the values characteristic of pure Al.

  20. Observations of defect structure evolution in proton and Ni ion irradiated Ni-Cr binary alloys

    Science.gov (United States)

    Briggs, Samuel A.; Barr, Christopher M.; Pakarinen, Janne; Mamivand, Mahmood; Hattar, Khalid; Morgan, Dane D.; Taheri, Mitra; Sridharan, Kumar

    2016-10-01

    Two binary Ni-Cr model alloys with 5 wt% Cr and 18 wt% Cr were irradiated using 2 MeV protons at 400 and 500 °C and 20 MeV Ni4+ ions at 500 °C to investigate microstructural evolution as a function of composition, irradiation temperature, and irradiating ion species. Transmission electron microscopy (TEM) was applied to study irradiation-induced void and faulted Frank loops microstructures. Irradiations at 500 °C were shown to generate decreased densities of larger defects, likely due to increased barriers to defect nucleation as compared to 400 °C irradiations. Heavy ion irradiation resulted in a larger density of smaller voids when compared to proton irradiations, indicating in-cascade clustering of point defects. Cluster dynamics simulations were in good agreement with the experimental findings, suggesting that increases in Cr content lead to an increase in interstitial binding energy, leading to higher densities of smaller dislocation loops in the Ni-18Cr alloy as compared to the Ni-5Cr alloy.

  1. Estimation of Thermodynamic Properties of Binary Liquid Mixtures on the Basis of Statistical Mechanical Theories

    Directory of Open Access Journals (Sweden)

    J. D. Pandey

    2012-12-01

    Full Text Available Thermodynamic properties of liquids and liquid mixtures play very important role in understanding the nature of molecular interactions occurring in the system. In the present work different thermodynamic properties of 15 pure liquids and 34 equimolar binary liquid mixtures of benzene, toluene, p-xylene, chlorobenzene and 1-chloronaphthalene with linear and branched alkanes have been computed with the help of Flory’s statistical theory (FST, Hard sphere equation of state (HSE and Hole theory (HT simultaneously. The calculated values are compared with the experimental findings collected from literature and quite satisfactory results are obtained.

  2. Binary Solid-Liquid Phase Diagram of Phenol and t-Butanol: An Undergraduate Physical Chemistry Experiment

    Science.gov (United States)

    Xu, Xinhua; Wang, Xiaogang; Wu, Meifen

    2014-01-01

    The determination of the solid-liquid phase diagram of a binary system is always used as an experiment in the undergraduate physical chemistry laboratory courses. However, most phase diagrams investigated in the lab are simple eutectic ones, despite the fact that complex binary solid-liquid phase diagrams are more common. In this article, the…

  3. Binary Solid-Liquid Phase Diagram of Phenol and t-Butanol: An Undergraduate Physical Chemistry Experiment

    Science.gov (United States)

    Xu, Xinhua; Wang, Xiaogang; Wu, Meifen

    2014-01-01

    The determination of the solid-liquid phase diagram of a binary system is always used as an experiment in the undergraduate physical chemistry laboratory courses. However, most phase diagrams investigated in the lab are simple eutectic ones, despite the fact that complex binary solid-liquid phase diagrams are more common. In this article, the…

  4. Concentration dependent structural parameters of liquid Al-Fe alloys

    Science.gov (United States)

    Lalnuntluanga, C.; Mishra, Raj Kumar

    2016-10-01

    Square well potential is perturbed over Lebowtiz solution of hard sphere mixtures to determine direct correlation function,C(0) ij(r) in repulsive and attractive regions under Mean Spherical Model Approximation [1]. Obtained direct correlation functions were employed to derive partial structure factors and then total structure factor, S(k) in liquid Al-Fe alloy at different atomic percent of Al. Fourier transform of partial and total structure factors gives partial and total radial distribution functions, g(r) from which partial and total coordination numbers and the partial nearest-neighbor distances were computed.

  5. Calorimetric Measurements of Liquid Al-Zn Alloys

    Science.gov (United States)

    Dębski, Adam; Gąsior, Władysław; Szmit, Katarzyna

    2016-10-01

    The integral molar enthalpies of mixing were determined by the drop calorimetric method for binary AL-Zn liquid solutions and compared with the Miedema model as well as the earlier experimental data. The measurements were conducted at two temperatures: 957 K and 1001 K (684 °C and 728 °C), in the entire concentration range. Based on the experimental calorimetric data of this study as well as those available in the literature and the results of the activity studies, the interaction parameters of the Redlich-Kister equation for the liquid Al-Zn phase were worked out with the use of the least square method. The partial and integral Gibbs energies, entropies and enthalpies were calculated and presented in tables and figures. Additionally, the concentration-concentration partial structure factors for the ideal and real Al-Zn solutions were calculated and graphically presented.

  6. Vapor-liquid equilibria of coal-derived liquids; 3: Binary systems with tetralin at 200 mmHg

    Energy Technology Data Exchange (ETDEWEB)

    Blanco, B.; Beltran, S.; Cabezas, J.L. (University Coll., Burgos (Spain). Dept. of Chemical Engineering); Coca, J. (Univ. of Oviedo (Spain). Dept. of Chemical Engineering)

    1994-01-01

    Isobaric vapor-liquid equilibrium data are reported for binary systems of tetralin with p-xylene, [gamma]-picoline, piperidine, and pyridine; all systems were measured at 26.66 kPa (200 mmHg) with a recirculation still. Liquid-phase activity coefficients were correlated using the Van Laar, Wilson, NRTL, and UNIQUAC equations. Vapor-phase nonidealities were found negligible under the experimental conditions of this work, and deviations of the liquid phase from the ideal behavior, as described by Raoult's law, were found to be slightly positive for all the systems.

  7. Surface morphological structures and electrochemical activity properties of iridium–niobium binary alloy electrodes

    Energy Technology Data Exchange (ETDEWEB)

    Matsumoto, Toru, E-mail: matsumoto.t@jemai.or.jp [Green Innovation Research Laboratories, NEC Corporation, 34 Miyukigaoka, Tsukuba, Ibaraki 305-8501 (Japan); Sata, Naoaki [Green Innovation Research Laboratories, NEC Corporation, 34 Miyukigaoka, Tsukuba, Ibaraki 305-8501 (Japan); Kobayashi, Kiyoshi [Advanced Ceramic Group, Advanced Materials Processing Unit, National Institute for Materials Science, Sengen 1-2-1, Tsukuba, Ibaraki 305-0047 (Japan); Yamabe-Mitarai, Yoko [High Temperature Materials Unit Functional Structure Materials Group, National Institute for Materials Science, Sengen 1-2-1, Tsukuba, Ibaraki 305-0047 (Japan)

    2013-10-01

    Highlights: • An Ir–23Nb alloy has the best oxidation capability among other Nb concentrations. • The reason is the Ir–23Nb has a large surface area which results from Ir + Ir{sub 3}Nb. • An Ir–23Nb glucose sensor detects glucose much better than an Ir glucose sensor. -- Abstract: The electrochemical activities of Ir–Nb binary alloys were investigated as functions of the alloy compositions, crystal structures, and surface morphologies for a hydrogen peroxide and ascorbic acid redox reaction. High activities for the redox reaction of hydrogen peroxide were observed when pure Ir and an alloy with a composition of 77 at% Ir–23 at% Nb (Ir–23Nb) were used. Tests on eight electrodes—Ir, Ir–13Nb, Ir–17Nb, Ir–23Nb, Ir–30Nb, Ir–43Nb, Ir–62Nb, and Nb—showed that at a constant potential difference of 0.7 V vs. Ag/AgCl, the Ir–23Nb electrode had the best hydrogen peroxide oxidation capability: 9.2 μA/mm{sup 2} for 2 mM hydrogen peroxide. Apart from Nb, Ir–23Nb gave the best performance in terms of preferential hydrogen peroxide oxidation against ascorbic acid. Subsequently, the Ir and Ir–23Nb electrodes were used for the fabrication of amperometric glucose sensors. We first coated the two electrodes with a γ-aminopropyltriethoxysilane membrane and then with a glucose oxidase membrane. Tests on the Ir and Ir–23Nb electrode glucose sensors showed that the latter had better glucose detection capability than the former: 0.226 μA/(mm{sup 2} mM) for the Ir–23Nb sensor with 1.67 mM glucose. We investigated the relationship between the electrode responses to both hydrogen peroxide and ascorbic acid and the electrode surface structures.

  8. Non-linearity parameter / of binary liquid mixtures at elevated pressures

    Indian Academy of Sciences (India)

    J D Pandey; J Chhabra; R Dey; V Sanguri; R Verma

    2000-09-01

    When sound waves of high amplitude propagate, several non-linear effects occur. Ultrasonic studies in liquid mixtures provide valuable information about structure and interaction in such systems. The present investigation comprises of theoretical evaluation of the acoustic non-linearity parameter / of four binary liquid mixtures using Tong and Dong equation at high pressures and = 303.15 K. Thermodynamic method has also been used to calculate the non-linearity parameter after making certain approximations.

  9. Textured tape substrates from binary copper alloys with vanadium and yttrium for the epitaxial deposition of buffer and superconducting layers

    Science.gov (United States)

    Khlebnikova, Yu. V.; Rodionov, D. P.; Egorova, L. Yu.; Suaridze, T. R.

    2016-05-01

    The structure of tapes of binary Cu-0.6 wt % V and Cu-1 wt % Y alloys and texturing process of them in the course of cold deformation by rolling to 99% and subsequent recrystallizing annealing have been studied. The possibility of achieving the perfect cube texture in thin tapes made from binary copper-based alloys with vanadium and yttrium additions has in principle been shown. This opens the prospect of using them as substrates when manufacturing tapes of second-generation high-temperature superconductors. Optimum annealing conditions for the studied alloys have been determined, which have made it possible to produce the perfect biaxial texture with a content of cube {001} ± 10° grains on the surfaces of textured tapes of more than 95%.

  10. Mechanisms of pressure filtration of liquid aluminum alloys

    Science.gov (United States)

    Cao, X.

    2006-12-01

    The Prefil Footprinter, a portable pressure filtration instrument, is usually used to detect the quality of liquid aluminum alloys. However, no investigations have ever been done to calculate the cake resistance to date. Based on the identification and classification of flow behavior using the first derivative method for filtrate mass vs filtration time curves, conventional filtration equations are successfully employed to understand the filtration behaviors. From the analyses of the variations of cake resistance with filtration time, the filtration mechanisms are discussed in detail over the different filtration stages. During the steady stage, either incompressible or compressible cake mode is the main mechanism. At the initial and terminal transient stages, however, deep-bed filtration, complete straining, and solidification clogging may appear. Solid inclusions in liquid metal have significant influence on the cake structures and properties. Some important issues related to the heterogeneity of filter media and test methodology are highlighted in this work.

  11. Liquid Phase Sintering of Highly Alloyed Stainless Steel

    DEFF Research Database (Denmark)

    Mathiesen, Troels

    1996-01-01

    Liquid phase sintering of stainless steel is usually applied to improve corrosion resistance by obtaining a material without an open pore system. The dense structure normally also give a higher strength when compared to conventional sintered steel. Liquid phase sintrering based on addition...... of boride to AISI 316L type steels have previously been studied, but were found to be sensitive to intergranular corrosion due to formation of intermetallic phases rich in chromium and molybdenum. In order to improve this system further, new investigations have focused on the use of higher alloyed stainless...... steel as base material. The stainless base powders were added different amounts and types of boride and sintered in hydrogen at different temperatures and times in a laboratory furnace. During sintering the outlet gas was analyzed and subsequently related to the obtained microstructure. Thermodynamic...

  12. Nuclear magnetic resonance studies of liquid metal alloys

    Science.gov (United States)

    Quitmann, D.

    1990-12-01

    The Knight shift K and quadrupolar relaxation rate Rq in liquid metallic systems, in which effects of bonding become increasingly prominent, are surveyed. In Rb, a theoretical calculation of Rq, including mode-coupling theory for the liquid, and the r-dependent Sternheimer factor, predicted closely the recent experimental redetermination. In Ge and in Cu-Ge and similar nearly free-electron systems, the quantitative analysis of K still poses problems, while qualitatively K(x) displays clearly a correspondence to the resistivity maximum. In metallic alloys with compound forming tendency, models based on an association (A+B from or to AB) connect K and Rq quantitatively with the heat of mixing, but the microscopic foundation of the association ansatz is uncertain.

  13. Numerical study of gas–liquid nucleation in partially miscible binary mixtures

    NARCIS (Netherlands)

    Wolde, P.R. ten; Frenkel, D.

    1998-01-01

    We report a numerical study of homogeneous gas–liquid nucleation in a binary mixture. We study the size and the composition of the critical nucleus as a function of the composition and supersaturation of the vapor. As we make the (Lennard-Jones) mixture increasingly nonideal, we find that there is a

  14. Critical mingling and universal correlations in model binary active liquids

    Science.gov (United States)

    Bain, Nicolas; Bartolo, Denis

    2017-06-01

    Ensembles of driven or motile bodies moving along opposite directions are generically reported to self-organize into strongly anisotropic lanes. Here, building on a minimal model of self-propelled bodies targeting opposite directions, we first evidence a critical phase transition between a mingled state and a phase-separated lane state specific to active particles. We then demonstrate that the mingled state displays algebraic structural correlations also found in driven binary mixtures. Finally, constructing a hydrodynamic theory, we single out the physical mechanisms responsible for these universal long-range correlations typical of ensembles of oppositely moving bodies.

  15. Diffusion measurements in binary liquid mixtures by Raman spectroscopy

    DEFF Research Database (Denmark)

    Berg, Rolf W.; Hansen, Susanne Brunsgaard; Shapiro, Alexander

    2007-01-01

    It is shown that Raman spectroscopy allows determination of the molar fractions in mixtures subjected to molecular diffusion. Spectra of three binary systems, benzene/n-hexane, benzene/cyclohexane, and benzene/ acetone, were obtained during vertical (exchange) diffusion at several different heights...... in the literature were found, even in a thermostatically controlled diffusion cell, recording spectra through circulating water. For the system benzene/acetone, the determined diffusion coefficients were in good agreement with the literature data. The limitations of the Raman method are discussed...

  16. Enthalpies of Formation of Noble Metal Binary Alloys Bearing Rh or Ir

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    The modified embedded atom method proposed by authors has been applied to calculating the enthalpies of formationof random alloys and the ordered intermetallic compounds for noble metal binary systems bearing Rh or lr. The presentresults are in good agreement with those of Miedema theory, available experiments and the first-principles quantummechanics calculations. The present results indicate that Cu-Rh, Cu-lr, Ag-Rh, Ag-lr, Au-Rh, Au-lr, Pd-Rh and Pd-lrsystems are repulsive, however, Ni-Rh, Ni-lr, Pt-lr, Pt-Rh and Rh-lr systems form solid solutions and Ni-Rh, Ni-lrand Pt-Rh show ordering tendency.

  17. Strontium As a Structure Modifier for Non-binary Al–Si Alloy

    Directory of Open Access Journals (Sweden)

    Barbora Bryksí Stunová

    2012-01-01

    Full Text Available This paper presents a study of the influence on the structure of AlSi10Mg alloy when 400 ppm of strontium is added. Not only changes in the morphology of eutectic silicon, but in particular changes in the morphology of the intermetallicphases are monitored, namely phases containing iron and magnesium. The effect of strontium on structural defects,namely cavities formation, is also observed. It was found, that in non-binary system Al–Si–Mg also intermetallic phases of magnesium are affected by addition of strontium: especially phase Mg2Si changes the morphology significantly fromunmodified to modified structure. Moreover, findings of other authors, that strontium has a negative effect on the levelof gas porosity and on the distribution of shrinkages, are also confirmed.

  18. Non-equilibrium phase transition properties of disordered binary ferromagnetic alloy

    Science.gov (United States)

    Vatansever, Erol; Akinci, Umit; Polat, Hamza

    2015-09-01

    Non-equilibrium dynamic phase transition features of a disordered binary ferromagnetic alloy consisting of spin- 1 / 2 and spin-1 components under the presence of a time dependent oscillating magnetic field have been analyzed for a two dimensional square lattice. With the help of Glauber-type stochastic process, the kinetic equations of time dependent magnetizations have been derived based on the effective-field theory with single-site correlations. A systematic analysis for the whole range of the concentrations of randomly distributed components as well as other system parameters has been carried out. According to our numerical investigations, the considered system presents unusual thermal and magnetic field behaviors such as the existence of dynamic multi-critical behavior and also boundaries of the coexistence region, where both dynamically ordered and disordered phases overlap, sensitively depends on the studied parameter space.

  19. Phase field simulation of the columnar dendritic growth and microsegregation in a binary alloy

    Institute of Scientific and Technical Information of China (English)

    Li Jun-Jie; Wang Jin-Cheng; Yang Gen-Cang

    2008-01-01

    This paper applies a phase field model for polycrystalline solidification in binary alloys to simulate the formation and growth of the columnar dendritic array under the isothermal and constant cooling conditions.The solidification process and microsegregation in the mushy zone are analysed in detail.It is shown that under the isothermal condition solidification will stop after the formation of the mushy zone,but dendritic coarsening will progress continuously,which results in the decrease of the total interface area.Under the constant cooling condition the mushy zone will solidify and coarsen simultaneously. For the constant cooling solidification,microsegregation predicted by a modified Brody Flemings model is compared with the simulation results.It is found that the Fourier number which characterizes microsegregation is different for regions with different microstructures.Dendritic coarsening and the larger area of interface should account for the enhanced Fourier number in the region with well developed second dendritic arms.

  20. A study on the austenite-to-ferrite phase transformation in binary substitutional iron alloys

    Energy Technology Data Exchange (ETDEWEB)

    Wits, J.J.; Kop, T.A.; Leeuwen, Y. van; Seitsma, J.; Zwaag, S. van der [Delft Univ. of Technol. (Netherlands). Lab. of Mater. Sci.

    2000-05-15

    The massive transformation from austenite to ferrite ({gamma}{yields}{alpha}) in binary substitutional Fe-X alloys, where X represents successively about 1 or 2 at.% of Co, Cu, Mn, Cr or Al, is experimentally investigated by means of dilatometry. The resulting transformation curves have been modelled by an interface-controlled growth model, taking the characteristics of the austenitic microstructure into account. The assumption of an Arrhenian temperature dependence of the interface mobility, defined as the ratio between the interface velocity and the driving force, is found to give a consistent picture of the observations with an activation energy for atoms crossing the interface of 140 kJ mol{sup -1}. The spurious presence of interstitial nitrogen is shown to have a significant effect on the mobility, as large as a factor 8 at concentration levels on the order of 10{sup -4}. (orig.)

  1. DETERMINATION OF DIFFUSION COEFFICIENTS OF BINARY LIQUID SYSTEMS

    Directory of Open Access Journals (Sweden)

    Erol İNCE

    2001-03-01

    Full Text Available The diaphragm cell method technique was used to determine the diffusion coefficients of selected binary systems (Cyclopentanol-Acetic acid, Cyclohexanol-Acetic acid and Methylcyclohexanol-Acetic acid. The technique was chosen because of simplicity and accuracy. The stirring rate was 60 rpm. The diaphragm cell was calibrated at 298.15 K by diffusing of 0.1 N KCl solution into distilled water. The experimental diaphragm cell constant (ß was found 0.09293 cm -2 . The temperature of water bath was controlled by a contact thermometer with an accuracy of ± 0.1 °C. The obtained experimental diffusion coefficients for Cyclopentanol-Acetic acid, Cyclohexanol-Acetic acid and Methylcyclohexanol - Acetic acid binary systems were 2.40 x 10 -5 cm 2 /s, 1.16 x 10 -5 cm 2 /s, 3.97 x 10 -5 cm 2 /s, respectively. Furthermore, diffusion coefficients have been estimated by the theoretical methods of Wilke - Chang and Scheibel equations and compared with the experimental results.

  2. Simulating the Effect of Space Vehicle Environments on Directional Solidification of a Binary Alloy

    Science.gov (United States)

    Westra, D. G.; Heinrich, J. C.; Poirier, D. R.

    2003-01-01

    Space microgravity missions are designed to provide a microgravity environment for scientific experiments, but these missions cannot provide a perfect environment, due to vibrations caused by crew activity, on-board experiments, support systems (pumps, fans, etc.), periodic orbital maneuvers, and water dumps. Therefore, it is necessary to predict the impact of these vibrations on space experiments, prior to performing them. Simulations were conducted to study the effect of the vibrations on the directional solidification of a dendritic alloy. Finite element ca!cu!attie?ls were dme with a simd2titcr based on a continuum model of dendritic solidification, using the Fractional Step Method (FSM). The FSM splits the solution of the momentum equation into two steps: the viscous intermediate step, which does not enforce continuity; and the inviscid projection step, which calculates the pressure and enforces continuity. The FSM provides significant computational benefits for predicting flows in a directionally solidified alloy, compared to other methods presently employed, because of the efficiency gains in the uncoupled solution of velocity and pressure. finite differences, arises when the interdendritic liquid reaches the eutectic temperature and concentration. When a node reaches eutectic temperature, it is assumed that the solidification of the eutectic liquid continues at constant temperature until all the eutectic is solidified. With this approach, solidification is not achieved continuously across an element; rather, the element is not considered solidified until the eutectic isotherm overtakes the top nodes. For microgravity simulations, where the convection is driven by shrinkage, it introduces large variations in the fluid velocity. When the eutectic isotherm reaches a node, all the eutectic must be solidified in a short period, causing an abrupt increase in velocity. To overcome this difficulty, we employed a scheme to numerically predict a more accurate value

  3. Solid–liquid equilibria of binary mixtures of fluorinated ionic liquids†

    Science.gov (United States)

    Teles, Ana Rita R.; Correia, Helga; Maximo, Guilherme J.; Rebelo, Luís P. N.; Freire, Mara G.; Pereiro, Ana B.; Coutinho, João A. P.

    2016-01-01

    Within ionic liquids, fluorinated ionic liquids (FILs) present unique physico-chemical properties and potential applications in several fields. However, the melting point of these neoteric compounds is usually higher due to the presence of fluorine atoms. This drawback may be resolved by, for instance, mixing different FILs to create eutectic mixtures. In this work, binary mixtures of fluoro-containing and fluorinated ionic liquids were considered with the aim of decreasing their melting temperatures as well as understanding and characterizing these mixtures and their phase transitions. Five FILs were selected, allowing the investigation of four binary mixtures, each of them with a common ion. Their solid–liquid and solid–solid equilibria were studied by differential scanning calorimetry and the non-ideality of the mixtures was investigated. Overall, a variety of solid–liquid equilibria with systems exhibiting eutectic behavior, polymorphs with solid–solid phase transitions, and the formation of intermediate compounds and solid solutions were surprisingly found. In addition to these intriguing behaviours, novel FILs with lower melting temperatures were obtained by the formation of binary systems, thus enlarging the application range of FILs at lower temperatures. PMID:27603428

  4. Drag of a growing bubble at rectilinear accelerated ascension in pure liquids and binary solutions

    Directory of Open Access Journals (Sweden)

    Ašković Radomir

    2003-01-01

    Full Text Available The problem of predicting the drag coefficient of a growing bubble at rectilinear accelerated ascension in uniformly super­heated pure liquids and in binary solutions with a non-volatile solute at large Reynolds and Peclet numbers is discussed. In the case of pure liquids, the general solution for the drag coefficient of an accelerated growing bubble from its inception at the critical radius and through the surface-tension-, inertia-, and heat-diffusion-controlled regimes is established, as well as some necessary adaptations in the case of binary solutions with a non-volatile solute. Two particular limiting regimes in the case of pure liquids, inertia-controlled and heat-diffusion-controlled regimes, respectively, are analyzed in details, with satisfactory results. .

  5. Annealing response of binary Al–7Mg alloy deformed by equal channel angular pressing

    Energy Technology Data Exchange (ETDEWEB)

    Zha, Min, E-mail: min.zha@material.ntnu.no [Department of Materials Science and Engineering, Norwegian University of Science and Technology, 7491 Trondheim (Norway); Li, Yanjun [SINTEF Materials and Chemistry, 7465 Trondheim (Norway); Mathiesen, Ragnvald H.; Bjørge, Ruben [Department of Physics, Norwegian University of Science and Technology, 7491 Trondheim (Norway); Roven, Hans J. [Department of Materials Science and Engineering, Norwegian University of Science and Technology, 7491 Trondheim (Norway)

    2013-12-01

    The annealing response in a binary Al–7Mg alloy processed at room temperature by equal channel angular pressing (ECAP) has been investigated via X-ray diffraction (XRD), electron-probe micro analysis (EPMA) and electron backscattering diffraction (EBSD). After ECAP and subsequent annealing, Mg remains mainly homogeneously distributed in solid solution. A bimodal structure with ultrafine grains accompanied by micrometer-sized crystallites was developed after 3 passes. Upon annealing at ∼275 °C for 96 h, extensive recovery was observed in the as-deformed material, leading to a relatively uniform microstructure; at ∼300 °C a discontinuous recrystallization initiated in less than 30 s with subsequent grain growth clearly evident. Such remarkable thermal stability, i.e., slower recovery and recrystallization kinetics, of the present material, in contrast to other severely deformed commercial pure Al and Al–Mg alloys, is due mainly to the presence of high Mg solid solution contents, the formation of the bimodal structure consisting of both coarse crystallites and ultrafine grains. In addition, the possible Mg-containing precipitates during annealing might also retard the recrystallization kinetics.

  6. Interaction behavior between binary xCe-yNd alloy and HT9

    Science.gov (United States)

    Kim, Jun Hwan; Cheon, Jin Sik; Lee, Byoung Oon; Kim, June Hyung

    2016-10-01

    Studies were carried out to investigate the role of Ce and Nd, contained inside metal fuel during reactor operation, and their effect on the Fuel-Cladding Chemical Interaction (FCCI) phenomenon, which limits fuel performance in the Sodium-cooled Fast Reactor (SFR). Binary model alloys of xCe-yNd were manufactured, and then diffusion couple tests with HT9 (12Cr-1MoWV) ferritic-martensitic cladding material were carried out at a temperature of 660 °C for up to 25 h. The results showed that both Ce and Nd reacted with Fe in the cladding material to form an interaction layer. Analysis of the microstructure and reaction kinetics revealed that Fe in the cladding material rapidly migrates into Ce to form eutectic reaction, leaving a Fe depleted zone, in which Ce substitutes. In the case of Nd element, a typical solid-solid diffusion process governed to form a Fe17Nd2 type intermetallic compound. Synergism between Ce and Nd occurred so that the reaction thickness was increased, reaching the maximum reaction thickness in the case of the xCe-yNd alloy, whose composition was nearly 1:1.

  7. In vitro and in vivo comparison of binary Mg alloys and pure Mg.

    Science.gov (United States)

    Myrissa, Anastasia; Agha, Nezha Ahmad; Lu, Yiyi; Martinelli, Elisabeth; Eichler, Johannes; Szakács, Gábor; Kleinhans, Claudia; Willumeit-Römer, Regine; Schäfer, Ute; Weinberg, Annelie-Martina

    2016-04-01

    Biodegradable materials are under investigation due to their promising properties for biomedical applications as implant material. In the present study, two binary magnesium (Mg) alloys (Mg2Ag and Mg10Gd) and pure Mg (99.99%) were used in order to compare the degradation performance of the materials in in vitro to in vivo conditions. In vitro analysis of cell distribution and viability was performed on discs of pure Mg, Mg2Ag and Mg10Gd. The results verified viable pre-osteoblast cells on all three alloys and no obvious toxic effect within the first two weeks. The degradation rates in in vitro and in vivo conditions (Sprague-Dawley® rats) showed that the degradation rates differ especially in the 1st week of the experiments. While in vitro Mg2Ag displayed the fastest degradation rate, in vivo, Mg10Gd revealed the highest degradation rate. After four weeks of in vitro immersion tests, the degradation rate of Mg2Ag was significantly reduced and approached the values of pure Mg and Mg10Gd. Interestingly, after 4 weeks the estimated in vitro degradation rates approximate in vivo values. Our systematic experiment indicates that a correlation between in vitro and in vivo observations still has some limitations that have to be considered in order to perform representative in vitro experiments that display the in vivo situation.

  8. MD simulation of atomic displacement cascades in Fe-10 at.%Cr binary alloy

    Energy Technology Data Exchange (ETDEWEB)

    Tikhonchev, M., E-mail: tikhonchev@sv.ulsu.r [Ulyanovsk State University, Leo Tolstoy Str., 42, Ulyanovsk 432970 (Russian Federation); Joint Stock Company, ' State Scientific Center Research Institute of Atomic Reactors' , 433510 Dimitrovgrad-10 (Russian Federation); Svetukhin, V.; Kadochkin, A. [Ulyanovsk State University, Leo Tolstoy Str., 42, Ulyanovsk 432970 (Russian Federation); Gaganidze, E. [Forschungszentrum Karlsruhe, IMF II, 3640, D-76021 Karlsruhe (Germany)

    2009-12-15

    Molecular dynamics simulation of atomic displacement cascades up to 20 keV has been performed in Fe-10 at.%Cr binary alloy at a temperature of 600 K. The N-body interatomic potentials of Finnis-Sinclair type were used. According to the obtained results the dependence of 'surviving' defects amount is well approximated by power function that coincides with other researchers' results. Obtained cascade efficiency for damage energy in the range from 10 to 20 keV is approx0.2 NRT that is slightly higher than for pure alpha-Fe. In post-cascade area Cr fraction in interstitials is in range 2-5% that is essentially lower than Cr content in the base alloy. The results on size and amount of vacancy and interstitial clusters generated in displacement cascades are obtained. For energies of 2 keV and higher the defect cluster average size increases and it is well approximated by a linear dependence on cascade energy both for interstitials and vacancies.

  9. Kinetics and Equilibrium of Age-Induced Precipitation in Cu-4 At. Pct Ti Binary Alloy

    Science.gov (United States)

    Semboshi, Satoshi; Amano, Shintaro; Fu, Jie; Iwase, Akihiro; Takasugi, Takayuki

    2017-03-01

    Transformation kinetics and phase equilibrium of metastable and stable precipitates in age-hardenable Cu-4 at. pct Ti binary alloy have been investigated by monitoring the microstructural evolution during isothermal aging at temperatures between 693 K (420 °C) and 973 K (700 °C). The microstructure of the supersaturated solid solution evolves in four stages: compositional modulation due to spinodal decomposition, continuous precipitation of the needle-shaped metastable β'-Cu4Ti with a tetragonal structure, discontinuous precipitation of cellular components containing stable β-Cu4Ti lamellae with an orthorhombic structure, and eventually precipitation saturation at equilibrium. In specimens aged below 923 K (650 °C), the stable β-Cu4Ti phase is produced only due to the cellular reaction, whereas it can be also directly obtained from the intergranular needle-shaped β'-Cu4Ti precipitates in specimens aged at 973 K (700 °C). The precipitation kinetics and phase equilibrium observed for the specimens aged between 693 K (420 °C) and 973 K (700 °C) were characterized in accordance with a time-temperature-transformation (TTT) diagram and a Cu-Ti partial phase diagram, which were utilized to determine the alloy microstructure, strength, and electrical conductivity.

  10. Mixing effects in the crystallization of supercooled quantum binary liquids

    Energy Technology Data Exchange (ETDEWEB)

    Kühnel, M.; Kalinin, A. [Institut für Kernphysik, J. W. Goethe-Universität, Max-von-Laue-Str. 1, 60438 Frankfurt am Main (Germany); Fernández, J. M.; Tejeda, G.; Moreno, E.; Montero, S. [Laboratory of Molecular Fluid Dynamics, Instituto de Estructura de la Materia, CSIC, Serrano 121, 28006 Madrid (Spain); Tramonto, F.; Galli, D. E. [Laboratorio di Calcolo Parallelo e di Simulazioni di Materia Condensata, Dipartimento di Fisica, Università degli Studi di Milano, Via Celoria 16, 20133 Milano (Italy); Nava, M. [Laboratorio di Calcolo Parallelo e di Simulazioni di Materia Condensata, Dipartimento di Fisica, Università degli Studi di Milano, Via Celoria 16, 20133 Milano (Italy); Computational Science, Department of Chemistry and Applied Biosciences, ETH Zurich, USI Campus, Via Giuseppe Buffi 13, CH-6900 Lugano (Switzerland); Grisenti, R. E. [Institut für Kernphysik, J. W. Goethe-Universität, Max-von-Laue-Str. 1, 60438 Frankfurt am Main (Germany); GSI - Helmholtzzentrum für Schwerionenforschung, Planckstr. 1, 64291 Darmstadt (Germany)

    2015-08-14

    By means of Raman spectroscopy of liquid microjets, we have investigated the crystallization process of supercooled quantum liquid mixtures composed of parahydrogen (pH{sub 2}) or orthodeuterium (oD{sub 2}) diluted with small amounts of neon. We show that the introduction of the Ne impurities affects the crystallization kinetics in terms of a significant reduction of the measured pH{sub 2} and oD{sub 2} crystal growth rates, similarly to what found in our previous work on supercooled pH{sub 2}-oD{sub 2} liquid mixtures [Kühnel et al., Phys. Rev. B 89, 180201(R) (2014)]. Our experimental results, in combination with path-integral simulations of the supercooled liquid mixtures, suggest in particular a correlation between the measured growth rates and the ratio of the effective particle sizes originating from quantum delocalization effects. We further show that the crystalline structure of the mixtures is also affected to a large extent by the presence of the Ne impurities, which likely initiate the freezing process through the formation of Ne-rich crystallites.

  11. FORMATION REGULARITIES OF PHASE COMPOSITION, STRUCTURE AND PROPERTIES DURING MECHANICAL ALLOYING OF BINARY ALUMINUM COMPOSITES

    Directory of Open Access Journals (Sweden)

    F. G. Lovshenko

    2015-01-01

    Full Text Available The paper presents investigation results pertaining to  ascertainment of formation regularities of phase composition and structure during mechanical alloying of binary aluminium composites/substances. The invetigations have been executed while applying a wide range of methods, devices and equipment used in modern material science. The obtained data complement each other. It has been established that presence of oxide and hydro-oxide films on aluminium powder  and introduction of surface-active substance in the composite have significant effect on mechanically and thermally activated phase transformations and properties of semi-finished products.  Higher fatty acids have been used as a surface active substance.The mechanism of mechanically activated solid solution formation has been identified. Its essence is  a formation of  specific quasi-solutions at the initial stage of processing. Mechanical and chemical interaction between components during formation of other phases has taken place along with dissolution  in aluminium while processing powder composites. Granule basis is formed according to the dynamic recrystallization mechanism and possess submicrocrystal structural type with the granule dimension basis less than 100 nm and the grains are divided in block size of not more than 20 nm with oxide inclusions of 10–20 nm size.All the compounds  with the addition of  surface-active substances including aluminium powder without alloying elements obtained by processing in mechanic reactor are disperse hardened. In some cases disperse hardening is accompanied by dispersive and solid solution hardnening process. Complex hardening predetermines a high temperature of recrystallization in mechanically alloyed compounds,  its value exceeds 400 °C.

  12. Experimental vapor-liquid equilibria data for binary mixtures of xylene isomers

    Directory of Open Access Journals (Sweden)

    W.L. Rodrigues

    2005-09-01

    Full Text Available Separation of aromatic C8 compounds by distillation is a difficult task due to the low relative volatilities of the compounds and to the high degree of purity required of the final commercial products. For rigorous simulation and optimization of this separation, the use of a model capable of describing vapor-liquid equilibria accurately is necessary. Nevertheless, experimental data are not available for all binaries at atmospheric pressure. Vapor-liquid equilibria data for binary mixtures were isobarically obtained with a modified Fischer cell at 100.65 kPa. The vapor and liquid phase compositions were analyzed with a gas chromatograph. The methodology was initially tested for cyclo-hexane+n-heptane data; results obtained are similar to other data in the literature. Data for xylene binary mixtures were then obtained, and after testing, were considered to be thermodynamically consistent. Experimental data were regressed with Aspen Plus® 10.1 and binary interaction parameters were reported for the most frequently used activity coefficient models and for the classic mixing rules of two cubic equations of state.

  13. Modeling the Hydrogen Solubility in Liquid Aluminum Alloys

    Science.gov (United States)

    Harvey, Jean-Philippe; Chartrand, Patrice

    2010-08-01

    The modeling of hydrogen solubility in multicomponent Al-(Li, Mg, Cu, and Si) liquid phase has been performed with a thermodynamic approach using the modified quasichemical model with the pair approximation (MQMPA). All hydrogen solubility data available in literature was assessed critically to obtain the binary parameters of the MQMPA model for the Al-H, Li-H, Mg-H, Cu-H, Zn-H, and Si-H melts. For the Li-H system, a new thermodynamic description of the stable solid lithium hydride was determined based on the c p found in literature. The thermodynamic model for the Al-Li system also was reassessed in this work to take into account the short-range ordering observed for this system. Built-in interpolation techniques allow the model to estimate the thermodynamic properties of the multicomponent liquid solution from the liquid model parameters of the lower order subsystems. A comparison of the calculated hydrogen solubility performed at various equilibrium conditions of temperature, pressure, and composition with the available experimental data found in the literature is presented in this work, as well as a comparison with some results from previous modeling.

  14. Liquid metal alloy ion sources—An alternative for focussed ion beam technology

    Science.gov (United States)

    Bischoff, Lothar; Mazarov, Paul; Bruchhaus, Lars; Gierak, Jacques

    2016-06-01

    Today, Focused Ion Beam (FIB) processing is nearly exclusively based on gallium Liquid Metal Ion Sources (LMIS). But, many applications in the μm- or nm range could benefit from ion species other than gallium: local ion implantation, ion beam mixing, ion beam synthesis, or Focused Ion Beam Lithography (IBL). Therefore, Liquid Metal Alloy Ion Sources (LMAIS) represent a promising alternative to expand the remarkable application fields for FIB. Especially, the IBL process shows potential advantages over, e.g., electron beam or other lithography techniques: direct, resistless, and three-dimensional patterning, enabling a simultaneous in-situ process control by cross-sectioning and inspection. Taking additionally into account that the used ion species influences significantly the physical and chemical nature of the resulting nanostructures—in particular, the electrical, optical, magnetic, and mechanic properties leading to a large potential application area which can be tuned by choosing a well suited LMAIS. Nearly half of the elements of the periodic table are recently available in the FIB technology as a result of continuous research in this area during the last forty years. Key features of a LMAIS are long life-time, high brightness, and stable ion current. Recent developments could make these sources feasible for nano patterning issues as an alternative technology more in research than in industry. The authors will review existing LMAIS, LMIS other than Ga, and binary and ternary alloys. These physical properties as well as the fabrication technology and prospective domains for modern FIB applications will similarly be reviewed. Other emerging ion sources will be also presented and their performances discussed.

  15. Modeling vapor liquid equilibrium of ionic liquids + gas binary systems at high pressure with cubic equations of state

    Directory of Open Access Journals (Sweden)

    A. C. D. Freitas

    2013-03-01

    Full Text Available Ionic liquids (IL have been described as novel environmentally benign solvents because of their remarkable characteristics. Numerous applications of these solvents continue to grow at an exponential rate. In this work, high pressure vapor liquid equilibria for 17 different IL + gas binary systems were modeled at different temperatures with Peng-Robinson (PR and Soave-Redlich-Kwong (SRK equations of state, combined with the van der Waals mixing rule with two binary interaction parameters (vdW-2. The experimental data were taken from the literature. The optimum binary interaction parameters were estimated by minimization of an objective function based on the average absolute relative deviation of liquid and vapor phases, using the modified Simplex algorithm. The solubilities of all gases studied in this work decrease as the temperature increases and increase with increasing pressure. The correlated results were highly satisfactory, with average absolute relative deviations of 2.10% and 2.25% for PR-vdW-2 and SRK-vdW-2, respectively.

  16. Study on Liquid Structure of Iron-Rich Fe-Si Alloy

    Institute of Scientific and Technical Information of China (English)

    TENG Xin-ying; LIU Han-lian; WANG Huan-rong; YE Yi-fu

    2003-01-01

    The liquid structure of iron-rich Fe-Si alloys (the silicon content is 22, 32, 34, 50 at%, respectively) was studied by high temperature θ-θ diffractometer at 1 550 ℃. The results show that the coordination number of atoms decreases with increasing silicon content. A visible pre-peak was observed in the structure factor of Fe-Si alloys, especially for the liquid Fe78Si22 and Fe68Si32 alloys. The special study was given on the liquid structure of Fe68Si32 alloy at temperature from 1 250 to 1 550 ℃. A distinct pre-peak was found at scattering vector Q=15.5 nm-1 in the structure factor. That means there are ordered D03 structure clusters in the liquid Fe68Si32 alloy. The correlation between silicon atoms in the Fe3Si compounds leads to the pre-peak in the structure factor.

  17. Crystallographic information of intermediate phases in binary Mg–X (X=Sn, Y, Sc, Ag alloys

    Directory of Open Access Journals (Sweden)

    Dongyan Liu

    2015-09-01

    Full Text Available The compositions and structures of thermodynamically stable or metastable precipitations in binary Mg-X (X=Sn, Y, Sc, Ag alloys are predicted using ab-initio evolutionary algorithm. The geometry optimizations of the predicted intermetallic compounds are carried out in the framework of density functional theory (DFT [1]. A complete list of the optimized crystallographic information (in cif format of the predicted intermetallic phases is presented here. The data is related to “Predictions on the compositions, structures, and mechanical properties of intermediate phases in binary Mg–X (X=Sn, Y, Sc, Ag alloys” by Liu et al. [2].

  18. Simulation of the decomposition of binary alloys on the basis of the free energy density functional method

    Science.gov (United States)

    L'vov, P. E.; Svetukhin, V. V.

    2017-02-01

    The simulation of the decomposition of a three-dimensional fragment of a solid solution satisfying the regular solution approximation has been carried out based on the Cahn-Hilliard equation taking into account the Gaussian fluctuations of the initial state of the alloy. The simulation has been performed for several temperatures and revealed the existence of four stages (nucleation, growth, coagulation, and coalescence) of the process. The influence of the temperature on the distribution of phases during the decomposition of binary alloys has been established, and the specific features in the change of stages of the decomposition process have been revealed.

  19. Solid—Liquid Equilibria of Several Binary and Ternary Systems Containing Meleic Anhydride

    Institute of Scientific and Technical Information of China (English)

    MAPeisheng; CHENMingming; 等

    2002-01-01

    Solid-liquid equilibria(SLE) of three binary systems and seven ternary systems containing maleic anhydride(MA) are measured by visual method. The experimental data are compared with the calculated ones with modified universal quasichemical functional group activity coefficient(UNIFAC) method in which the interaction parameters between groups come from two sources,dortmund data bank (DDB), if there′s any,and correlations based on our former presented experimental SLE data of twenty binary systems.New groups of MA,ACCOO group,COO group,>C=O group and cy-CH2 group are defined and the SLE data of maleic anhydride in isopropyl acetate in literature are cited in order to assess the new interaction parameters,correlated with Wilson equation and the λh equation.The modified UNIFAC method with these new regressed interaction parameters is also used to predict other three binary systems containing maleic anhydride.

  20. Dendrite growth characteristics within liquid Fe-Sb alloy

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    Bulk samples and small droplets of liquid Fe-10%Sb alloys are undercooled up to 429 K (0.24TL) and 568 K (0.32TL), respectively, with glass fluxing and free fall techniques. The high undercooling does not change the phase constitution, and only the αFe solid solution is found in the rapidly solidified alloy. The experimental results show that when the undercooling is below 296 K, the growth velocity of αFe dendrite rises exponentially with the increase of undercooling and reaches a maximum value 1.38 m/s. Subsequently, the growth velocity begins to decrease if undercooling further increases. The αFe phase grows into coarse dendrites under small undercooling conditions, whereas it becomes vermicular dendrites in highly undercooled melts. The solute trapping is closely related to the dendrite growth velocity and cooling rate rather than undercooling. Although the solute trapping can be remarkably suppressed by the rapid dendrite growth, the segregationless solidification is not observed in the present experiments due to the large solidification temperature range.

  1. Dendrite growth characteristics within liquid Fe-Sb alloy

    Institute of Scientific and Technical Information of China (English)

    WANG WeiLi; Lü YongJun; QIN HaiYan; WEI BingBo

    2009-01-01

    Bulk samples and small droplets of liquid Fe-10%Sb alloys are undercooled up to 429 K (0.24TL) and 568 K (0.32 TL), respectively, with glass fluxing and free fall techniques. The high undercooling does not change the phase constitution, and only the αFe solid solution is found in the rapidly solidified alloy.The experimental results show that when the undercooling is below 296 K, the growth velocity of αFe dendrite rises exponentially with the increase of undercooling and reaches a maximum value 1.38 m/s.Subsequently, the growth velocity begins to decrease if undercooling further increases. The αFe phase grows into coarse dendrites under small undercooling conditions, whereas it becomes vermicular dendrites in highly undercooled melts. The solute trapping is closely related to the dendrite growth velocity and cooling rate rather than undercooling. Although the solute trapping can be remarkably suppressed by the rapid dendrite growth, the segregationless solidification is not observed in the present experiments due to the large solidification temperature range.

  2. Thermophysical Properties of Liquid AlTi-Based Alloys

    Science.gov (United States)

    Egry, I.; Holland-Moritz, D.; Novakovic, R.; Ricci, E.; Wunderlich, R.; Sobczak, N.

    2010-05-01

    The surface tension and density of three liquid AlTi-based alloys (AlTiV, AlTiNb, and AlTiTa) have been measured using electromagnetic levitation as a tool for containerless processing. Surface tension has been determined by the oscillating-drop method, while the density was measured using a shadowgraph technique. Both quantities were determined over a wide temperature range, including the undercooled regime. In addition, sessile-drop and pendant-drop experiments to determine the surface tension were performed in a recently built high-temperature furnace. The measured data were compared to thermodynamic calculations using phenomenological models and the Butler equation. Generally, good agreement was found.

  3. Thermodynamic properties of liquid silver-gallium alloys determined from e.m.f. and calorimetric measurements

    Energy Technology Data Exchange (ETDEWEB)

    Jendrzejczyk-Handzlik, Dominika, E-mail: djendrze@agh.edu.p [Laboratory of Physical Chemistry and Electrochemistry, Faculty of Non-Ferrous Metals, AGH University of Science and Technology, 30 Mickiewicza Ave., 30-059 Krakow (Poland); Fitzner, Krzysztof [Laboratory of Physical Chemistry and Electrochemistry, Faculty of Non-Ferrous Metals, AGH University of Science and Technology, 30 Mickiewicza Ave., 30-059 Krakow (Poland)

    2011-03-15

    The thermodynamic properties of the liquid Ag-Ga alloys were determined using e.m.f. and calorimetric methods. In the e.m.f. method, solid oxide galvanic cells were used with zirconia electrolyte. The cells of the type W,Ag{sub x}Ga{sub (1-x)},Ga{sub 2}O{sub 3}//ZrO{sub 2}+(Y{sub 2}O{sub 3})//FeO,Fe,W were used in the temperature range from 1098 K to 1273 K, and in the range of mole fraction from x{sub Ga} = 0.1 to x{sub Ga} = 1.0. At first, the Gibbs free energy of formation of pure solid gallium oxide, Ga{sub 2}O{sub 3}, from pure elements was derived. Using values of the measured e.m.f. for the cell with x{sub Ga} = 1.0, the following temperature dependence was obtained: {Delta}{sub f}G{sub m},Ga{sub 2}O{sub 3}{sup 0}({+-}4kJ{center_dot}mol{sup -1}J)=-1061.7235+0.2899T/K. Next, the activity of the gallium was derived as a function of the alloy composition from the values of the measured e.m.f. Activities of silver were calculated using the Gibbs-Duhem equation. The drop calorimetric measurements were carried out at two temperatures, viz. 923 K and 1123 K, using a Setaram MHTC calorimeter. Integral enthalpies of mixing of liquid binary alloys were determined at those temperatures. Finally, thermodynamic properties of the liquid alloys were described with the Redlich-Kister equation using ThermoCalc software.

  4. NUMERICAL ANALYSES FOR TREATING DIFFUSION IN SINGLE-, TWO-, AND THREE-PHASE BINARY ALLOY SYSTEMS

    Science.gov (United States)

    Tenney, D. R.

    1994-01-01

    This package consists of a series of three computer programs for treating one-dimensional transient diffusion problems in single and multiple phase binary alloy systems. An accurate understanding of the diffusion process is important in the development and production of binary alloys. Previous solutions of the diffusion equations were highly restricted in their scope and application. The finite-difference solutions developed for this package are applicable for planar, cylindrical, and spherical geometries with any diffusion-zone size and any continuous variation of the diffusion coefficient with concentration. Special techniques were included to account for differences in modal volumes, initiation and growth of an intermediate phase, disappearance of a phase, and the presence of an initial composition profile in the specimen. In each analysis, an effort was made to achieve good accuracy while minimizing computation time. The solutions to the diffusion equations for single-, two-, and threephase binary alloy systems are numerically calculated by the three programs NAD1, NAD2, and NAD3. NAD1 treats the diffusion between pure metals which belong to a single-phase system. Diffusion in this system is described by a one-dimensional Fick's second law and will result in a continuous composition variation. For computational purposes, Fick's second law is expressed as an explicit second-order finite difference equation. Finite difference calculations are made by choosing the grid spacing small enough to give convergent solutions of acceptable accuracy. NAD2 treats diffusion between pure metals which form a two-phase system. Diffusion in the twophase system is described by two partial differential equations (a Fick's second law for each phase) and an interface-flux-balance equation which describes the location of the interface. Actual interface motion is obtained by a mass conservation procedure. To account for changes in the thicknesses of the two phases as diffusion

  5. A relationship to estimate the excess entropy of mixing: Application in silicate solid solutions and binary alloys.

    Science.gov (United States)

    Benisek, Artur; Dachs, Edgar

    2012-06-25

    The paper presents new calorimetric data on the excess heat capacity and vibrational entropy of mixing of Pt-Rh and Ag-Pd alloys. The results of the latter alloy are compared to those obtained by calculations using the density functional theory. The extent of the excess vibrational entropy of mixing of these binaries and of some already investigated binary mixtures is related to the differences of the end-member volumes and the end-member bulk moduli. These quantities are used to roughly represent the changes of the bond length and stiffness in the substituted and substituent polyhedra due to compositional changes, which are assumed to be the important factors for the non-ideal vibrational behaviour in solid solutions.

  6. The steady-state solution of dendritic growth from the undercooled binary alloy melt with the far field flow

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    The steady-state dendritic growth from the undercooled binary alloy melt with the far field flow is considered. By neglecting the interface energy, interface kinetics and buoyancy effects in the system, we obtaine the steady-state solution for the case of the large Schmidt number, in terms of the multiple variable expansion method. The changes of the temperature and concentration fields, the morphology of the interface, the normalization parameter and the Peclet number of the system induced by uniform external flow are derived. The results show that, compared with the system of dendritic growth from undercooled pure melt, the convective flow in the system of growth from undercooled binary alloy has stronger effects on the morphology of the interface. Nevertheless, the shape of the interface still remains nearly a paraboloid.

  7. The steady-state solution of dendritic growth from the undercooled binary alloy melt with the far field flow

    Institute of Scientific and Technical Information of China (English)

    CHEN MingWen; WANG ZiDong; XU JianJun

    2009-01-01

    The steady-state dendritic growth from the undercooled binary alloy melt with the far field flow is considered.By neglecting the interface energy,interface kinetics and buoyancy effects in the system,we obtaine the steady-state solution for the case of the large Schmidt number,in terms of the multiple variable expansion method.The changes of thtemperature and concentration fields,the morphology of the interface,the normalization parameter and the Peclet number of the system induced by uniform external flow are derived.The results show that,compared with the system of dendritic growth from undercooled pure melt,the convective flow in the system of growth from undercooled binary alloy has stronger effects on the morphology of the interface.Nevertheless,the shape of the interface still remains nearly a paraboloid.

  8. Effect of electric field on the activity and quenching structure of liquid Cu-Al alloys

    Institute of Scientific and Technical Information of China (English)

    Fajun Guo; Lingzhen Li; Yanbing Zong; Daqiang Cang; Wen Pan; Jun Zhang

    2005-01-01

    The activity coefficient of Al in molten Cu decreases with the increasing of electric current applied to the liquid alloy of Cu-0.2wt%Al. To investigate the mechanism, the quenching experimental results of the liquid Al-Cu alloy show that there is a remarkable change in structure, in which the solute congregates along the current direction especially for DC current. The mechanism of the activity coefficient change of Al in molten Cu-0.2wt%Al alloy treated by electrical field was discussed. Further, the results also provide an evidence for the short-range-ordered liquid metal.

  9. Raman and ab initio studies of simple and binary 1-alkyl-3-methylimidazolium ionic liquids

    DEFF Research Database (Denmark)

    Berg, R.W.; Deetlefs, M.; Seddon, K.R.

    2005-01-01

    Raman spectra of the ionic liquids, 1-butyl-3-methylimidazolium hexafluorophosphate ([C(4)mim][PF6]), 1-hexyl-3-methylimidazolium chloride ([C(6)mim]Cl), and 1-hexyl-3-methylimidazolium hexafluorophosphate ([C(6)mim][PF6]), and binary mixtures thereof, have been assigned using ab initio MP2...... bonding between the imidazolium headgroup and the anions, and the invariance of the essentially 50:50 mixture of the predominant conformers informs on the nature of glass formation in these systems....

  10. Prediction of vapor-liquid equilibriafor hydrocarbon binary systems by regular solution model

    OpenAIRE

    下山, 裕介; 米澤, 節子; 小渕, 茂寿; 福地, 賢治; 荒井, 康彦; Shimoyama, Yusuke; Yonezawa, Setsuko; Kobuchi, Shigetoshi; Fukuchi, Kenii; Arai, Yasuhiko

    2007-01-01

    Vapor-liquid equilibria (VLE) of hydrocarbon binary systems : hexane + benzene (25 °C), toluene + octane (60°C) and cyclohexane + toluene (50°C) were predicted by using a regular solution model. In the present model, the mixing entropy term (Flory-Huggins equation) is included and an interaction parameter between unlike molecules is introduced. Solubility parameters and molar volumes at each temperature required in calculation are estimated by previously proposed methods. VLE of hexane + benz...

  11. Induced smectic phases in phase diagrams of binary nematic liquid crystal mixtures.

    Science.gov (United States)

    Huang, Tsang-Min; McCreary, Kathleen; Garg, Shila; Kyu, Thein

    2011-03-28

    To elucidate induced smectic A and smectic B phases in binary nematic liquid crystal mixtures, a generalized thermodynamic model has been developed in the framework of a combined Flory-Huggins free energy for isotropic mixing, Maier-Saupe free energy for orientational ordering, McMillan free energy for smectic ordering, Chandrasekhar-Clark free energy for hexagonal ordering, and phase field free energy for crystal solidification. Although nematic constituents have no smectic phase, the complexation between these constituent liquid crystal molecules in their mixture resulted in a more stable ordered phase such as smectic A or B phases. Various phase transitions of crystal-smectic, smectic-nematic, and nematic-isotropic phases have been determined by minimizing the above combined free energies with respect to each order parameter of these mesophases. By changing the strengths of anisotropic interaction and hexagonal interaction parameters, the present model captures the induced smectic A or smectic B phases of the binary nematic mixtures. Of particular importance is the fact that the calculated phase diagrams show remarkable agreement with the experimental phase diagrams of binary nematic liquid crystal mixtures involving induced smectic A or induced smectic B phase.

  12. Liquid-ordered phases induced by cholesterol: a compendium of binary phase diagrams.

    Science.gov (United States)

    Marsh, Derek

    2010-03-01

    Mixtures of phospholipids with cholesterol are able to form liquid-ordered phases that are characterised by short-range orientational order and long-range translational disorder. These L(o)-phases are distinct from the liquid-disordered, fluid L(alpha)-phases and the solid-ordered, gel L(beta)-phases that are assumed by the phospholipids alone. The liquid-ordered phase can produce spatially separated in-plane fluid domains, which, in the form of lipid rafts, are thought to act as platforms for signalling and membrane sorting in cells. The areas of domain formation are defined by the regions of phase coexistence in the phase diagrams for the binary mixtures of lipid with cholesterol. In this paper, the available binary phase diagrams of lipid-cholesterol mixtures are all collected together. It is found that there is not complete agreement between different determinations of the phase diagrams for the same binary mixture. This can be attributed to the indirect methods largely used to establish the phase boundaries. Intercomparison of the various data sets allows critical assessment of which phase boundaries are rigorously established from direct evidence for phase coexistence.

  13. Effect of Cerium on the Viscosity of Liquid Fe-C Alloy of Eutectic Content

    Institute of Scientific and Technical Information of China (English)

    滕新营; 叶以富; 刘含莲; 王焕荣; 石志强; 耿浩然

    2002-01-01

    The viscosities of liquid Fe-4.30C and Fe-4.30C-Ce alloys were measured by oscillating crucible viscometer. The results show that viscosity of Fe-4.30C alloy changes from 5.50 to 8.30 MPa*s when the liquid is cooled from 1425 ℃ to the melting point. The abnormity of viscosity of Fe-4.30C alloy near the melting point is reasonable due to the formation of graphite. The addition of cerium especially with content higher than 0.21% causes an evidently decrease in viscosity for eutectic alloy resulting from increase of free volume and size decrease of atom cluster in the liquids. It can be concended that the existence of C-Ce compound contributes to the discontinuous of viscosity at 1340~1370 ℃ for the Fe-4.30C-Ce alloy by experinments with differential scanning calorimeter.

  14. Correlation Between Superheated Liquid Fragility And Onset Temperature Of Crystallization For Al-Based Amorphous Alloys

    Directory of Open Access Journals (Sweden)

    Guo J.

    2015-06-01

    Full Text Available Amorphous alloys or metallic glasses have attracted significant interest in the materials science and engineering communities due to their unique physical, mechanical, and chemical properties. The viscous flow of amorphous alloys exhibiting high strain rate sensitivity and homogeneous deformation is considered to be an important characteristic in thermoplastic forming processes performed within the supercooled liquid region because it allows superplastic-like deformation behavior. Here, the correlation between the superheated liquid fragility, and the onset temperature of crystallization for Al-based alloys, is investigated. The activation energy for viscous flow of the liquid is also investigated. There is a negative correlation between the parameter of superheated liquid fragility and the onset temperature of crystallization in the same Al-based alloy system. The activation energy decreases as the onset temperature of crystallization increases. This indicates that the stability of a superheated liquid can affect the thermal stability of the amorphous alloy. It also means that a liquid with a large superheated liquid fragility, when rapidly solidified, forms an amorphous alloy with a low thermal stability.

  15. Structure, elastic and bonding properties of hcp ZrxTi1-x binary alloy from first-principles calculations

    CERN Document Server

    Songjun, Hou; Sunchao, Huang; Zhi, Zeng

    2015-01-01

    First principles calculations were performed to study the structural, elastic, and bonding properties of hcp ZrxTi1-x binary alloy. The special quasi- random structure (SQS) method is employed to mimic the random hcp ZrxTi1-x alloy. It is found that Bulk modulus, B, Young's modulus, E, and shear modulus, G, exhibit decreasing trends as increasing the amount of Zr. A ductile behavior ZrxTi1-x is predicted in the whole composition range. In terms of Mulliken charge analisis, we found that the element Ti behaves much more electronegative than Zr in hcp ZrxTi1-x alloy, and the charge transfer of an atom is approximately linear to the amount of other element atom surrounding it.

  16. Analysis on the non-equilibrium dendritic solidification of a binary alloy with back diffusion

    Energy Technology Data Exchange (ETDEWEB)

    Chung, J.D. [Seoul National University Graduate School, Seoul (Korea, Republic of); Yoo, H.S. [Soong Sil University, Seoul (Korea, Republic of); Lee, J.S. [Seoul National University, Seoul (Korea, Republic of)

    1996-10-01

    Micro-Macro approach is conducted for the mixture solidification to handle the closely linked phenomena of microscopic solute redistribution and macroscopic solidification behavior. For this purpose, present work combines the efficiency of mixture theory for macro part and the capability of microscopic analysis of two-phase model for micro part. The micro part of present study is verified by comparison with experiment of Al-4.9 mass% Cu alloy. The effect of back diffusion on the macroscopic variables such as temperature and liquid concentration, is appreciable. The effect, however, is considerable on the mixture concentration and eutectic fraction which are indices of macro and micro segregation, respectively. According to the diffusion time, the behavior near the cooling wall where relatively rapid solidification permits short solutal diffusion time, approaches Scheil equation limit and inner part approaches lever rule limit. (author). 23 refs., 13 figs., 1 tab.

  17. Numerical simulation of boundary heat flow effects on directional solidification microstructure of a binary alloy

    Directory of Open Access Journals (Sweden)

    Xue Xiang

    2010-08-01

    Full Text Available The boundary heat flow has important significance for the microstructures of directional solidified binary alloy. Interface evolution of the directional solidified microstructure with different boundary heat flow was discussed. In this study, only one interface was allowed to have heat flow, and Neumann boundary conditions were imposed at the other three interfaces. From the calculated results, it was found that different boundary heat flows will result in different microstructures. When the boundary heat flow equals to 20 W·cm-2, the growth of longitudinal side branches is accelerated and the growth of transverse side branches is restrained, and meanwhile, there is dendritic remelting in the calculation domain. When the boundary heat flow equals to 40 W·cm-2, the growths of the transverse and longitudinal side branches compete with each other, and when the boundary heat flow equals to 100-200 W·cm-2, the growth of transverse side branches dominates absolutely. The temperature field of dendritic growth was analyzed and the relation between boundary heat flow and temperature field was also investigated.

  18. Directional Solidification of a Binary Alloy into a Cellular Convective Flow: Localized Morphologies

    Science.gov (United States)

    Chen, Y.- J.; Davis, S. H.

    1999-01-01

    A steady, two dimensional cellular convection modifies the morphological instability of a binary alloy that undergoes directional solidification. When the convection wavelength is far longer than that of the morphological cells, the behavior of the moving front is described by a slow, spatial-temporal dynamics obtained through a multiple-scale analysis. The resulting system has a "parametric-excitation" structure in space, with complex parameters characterizing the interactions between flow, solute diffusion, and rejection. The convection stabilizes two dimensional disturbances oriented with the flow, but destabilizes three dimensional disturbances in general. When the flow is weak, the morphological instability behaves incommensurably to the flow wavelength, but becomes quantized and forced to fit into the flow-box as the flow gets stronger. At large flow magnitudes the instability is localized, confined in narrow envelopes with cells traveling with the flow. In this case the solutions are discrete eigenstates in an unbounded space. Their stability boundary and asymptotics are obtained by the WKB analysis.

  19. Numerical simulation of boundary heat flow effects on directional solidification microstructure of a binary alloy

    Institute of Scientific and Technical Information of China (English)

    Xue Xiang; Tang Jinjun

    2010-01-01

    The boundary heat flow has important significance for the microstructures of directional solidified binary alloy. Interface evolution of the directional solidified microstructure with different boundary heat flow was discussed. In this study, only one interface was allowed to have heat flow, and Neumann boundary conditions were imposed at the other three interfaces. From the calculated results, it was found that different boundary heat flows will result in different microstructures. When the boundary heat flow equals to 20 W-cm-2, the growth of longitudinal side branches is accelerated and the growth of transverse side branches is restrained, and meanwhile, there is dendritic remelting in the calculation domain. When the boundary heat flow equals to 40 W-cm-2, the growths of the transverse and longitudinal side branches compete with each other, and when the boundary heat flow equals to 100-200 W-cm-2, the growth of transverse side branches dominates absolutely. The temperature field of dendritic growth was analyzed and the relation between boundary heat flow and temperature field was also investigated.

  20. Electronic Origin of the Orthorhombic Cmca Structure in Compressed Elements and Binary Alloys

    Directory of Open Access Journals (Sweden)

    Valentina F. Degtyareva

    2013-07-01

    Full Text Available Formation of the complex structure with 16 atoms in the orthorhombic cell, space group Cmca (Pearson symbol oC16, was experimentally found under high pressure in the alkali elements (K, Rb, Cs and polyvalent elements of groups IV (Si, Ge and V (Bi. Intermetallic phases with this structure form under pressure in binary Bi-based alloys (Bi-Sn, Bi-In, Bi-Pb. Stability of the Cmca-oC16 structure is analyzed within the nearly free-electron model in the frame of Fermi sphere-Brillouin zone interaction. A Brillouin-Jones zone formed by a group of strong diffraction reflections close to the Fermi sphere is the reason for the reduction of crystal energy and stabilization of the structure. This zone corresponds well to the four valence electrons in Si and Ge, and leads to assume an spd-hybridization for Bi. To explain the stabilization of this structure within the same model in alkali metals, that are monovalents at ambient conditions, a possibility of an overlap of the core, and valence band electrons at strong compression, is considered. The assumption of the increase in the number of valence electrons helps to understand sequences of complex structures in compressed alkali elements and unusual changes in their physical properties, such as electrical resistance and superconductivity.

  1. Experimental studies of an In/Pb binary surface alloy on Ge(111)

    Science.gov (United States)

    Sohail, Hafiz M.; Uhrberg, R. I. G.

    2016-07-01

    In this study, we present a binary In/Pb surface alloy on Ge(111) formed by evaporating In on the Pb/Ge(111)√{ 3} ×√{ 3} β phase. A well-defined 3 × 3 periodicity is formed after annealing, as verified by both low energy electron diffraction (LEED) and scanning tunneling microscopy (STM). Overview STM images show a clear 3 × 3 periodicity. Detailed STM images reveal protrusions corresponding to atomic sized features with a local hexagonal arrangement. Each 3 × 3 unit cell contains nine such features indicating a structure with 9 atoms per 3 × 3 cell in the topmost layer. Based on angle resolved photoelectron spectroscopy (ARPES) data, we have identified five surface bands within the bulk band gap. Four of them cross the Fermi level leading to a metallic character of the surface. The dispersions of these bands have been mapped in detail along two high symmetry directions of the surface Brillouin zone. Constant energy contours, mapped in two dimensional k-space, show interesting features. In particular, the occurrence of two differently rotated hexagon-like contours is presented.

  2. Self-assembly of azobenzene bilayer membranes in binary ionic liquid-water nanostructured media.

    Science.gov (United States)

    Kang, Tejwant Singh; Ishiba, Keita; Morikawa, Masa-aki; Kimizuka, Nobuo

    2014-03-11

    Anionic azobenzene-containing amphiphile 1 (sodium 4-[4-(N-methyl-N-dodecylamino)phenylazo]benzenesulfonate) forms ordered bilayer membranes in binary ionic liquid (1-ethyl-3-methylimidazolium ethyl sulfate, [C2mim][C2OSO3])-water mixtures. The binary [C2mim][C2OSO3]-water mixture is macroscopically homogeneous at any mixing ratio; however, it possesses fluctuating nanodomains of [C2mim][C2OSO3] molecules as observed by dynamic light scattering (DLS). These nanodomains show reversible heat-induced mixing behavior with water. Although the amphiphile 1 is substantially insoluble in pure water, it is dispersible in the [C2mim][C2OSO3]-water mixtures. The concentration of [C2mim][C2OSO3] and temperature exert significant influences on the self-assembling characteristics of 1 in the binary media, as shown by DLS, transmission electron microscopy (TEM), UV-vis spectroscopy, and zeta-potential measurements. Bilayer membranes with rod- or dotlike nanostructures were formed at a lower content of [C2mim][C2OSO3] (2-30 v/v %), in which azobenzene chromophores adopt parallel molecular orientation regardless of temperature. In contrast, when the content of [C2mim][C2OSO3] is increased above 60 v/v %, azobenzene bilayers showed thermally reversible gel-to-liquid crystalline phase transition. The self-assembly of azobenzene amphiphiles is tunable depending on the volume fraction of [C2mim][C2OSO3] and temperature, which are associated with the solvation by nanoclusters in the binary [C2mim][C2OSO3]-water media. These observations clearly indicate that mixtures of water-soluble ionic liquids and water provide unique and valiant environments for ordered molecular self-assembly.

  3. Preparation of low-platinum-content platinum-nickel, platinum-cobalt binary alloy and platinum-nickel-cobalt ternary alloy catalysts for oxygen reduction reaction in polymer electrolyte fuel cells

    Science.gov (United States)

    Li, Mu; Lei, Yanhua; Sheng, Nan; Ohtsuka, Toshiaki

    2015-10-01

    A series of low-platinum-content platinum-nickel (Pt-Ni), platinum-cobalt (Pt-Co) binary alloys and platinum-nickel-cobalt (Pt-Ni-Co) ternary alloys electrocatalysts were successfully prepared by a three-step process based on electrodeposition technique and studied as electrocatalysts for oxygen reduction reaction (ORR) in polymer-electrolyte fuel cells. Kinetics of ORR was studied in 0.5 M H2SO4 solution on the Pt-Ni, Pt-Co and Pt-Ni-Co alloys catalysts using rotating disk electrode technique. Both the series of Pt-Ni, Pt-Co binary alloys and the Pt-Ni-Co ternary alloys catalysts exhibited an obvious enhancement of ORR activity in comparison with pure Pt. The significant promotion of ORR activities of Pt-Ni and Pt-Co binary alloys was attributed to the enhancement of the first electron-transfer step, whereas, Pt-Ni-Co ternary alloys presented a more complicated mechanism during the electrocatalysis process but a much more efficient ORR activities than the binary alloys.

  4. Symmetrization of excess Gibbs free energy: A simple model for binary liquid mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Castellanos-Suarez, Aly J., E-mail: acastell@ivic.gob.v [Centro de Estudios Interdisciplinarios de la Fisica (CEIF), Instituto Venezolano de Investigaciones Cientificas (IVIC), Apartado 21827, Caracas 1020A (Venezuela, Bolivarian Republic of); Garcia-Sucre, Maximo, E-mail: mgs@ivic.gob.v [Centro de Estudios Interdisciplinarios de la Fisica (CEIF), Instituto Venezolano de Investigaciones Cientificas (IVIC), Apartado 21827, Caracas 1020A (Venezuela, Bolivarian Republic of)

    2011-03-15

    A symmetric expression for the excess Gibbs free energy of liquid binary mixtures is obtained using an appropriate definition for the effective contact fraction. We have identified a mechanism of local segregation as the main cause of the contact fraction variation with the concentration. Starting from this mechanism we develop a simple model for describing binary liquid mixtures. In this model two parameters appear: one adjustable, and the other parameter depending on the first one. Following this procedure we reproduce the experimental data of (liquid + vapor) equilibrium with a degree of accuracy comparable to well-known more elaborated models. The way in which we take into account the effective contacts between molecules allows identifying the compound which may be considered to induce one of the following processes: segregation, anti-segregation and dispersion of the components in the liquid mixture. Finally, the simplicity of the model allows one to obtain only one resulting interaction energy parameter, which makes easier the physical interpretation of the results.

  5. The Role of Si and Cu Alloying Elements on the Dendritic Growth and Microhardness in Horizontally Solidified Binary and Multicomponent Aluminum-Based Alloys

    Science.gov (United States)

    Araújo, Eugênio C.; Barros, André S.; Kikuchi, Rafael H.; Silva, Adrina P.; Gonçalves, Fernando A.; Moreira, Antonio L.; Rocha, Otávio L.

    2017-03-01

    Horizontal directional solidification (HDS) experiments were carried out with Al-3wtpctCu, Al-3wtpctSi, and Al- 3wtpctCu-5.5wtpctSi alloys in order to analyze the interrelation between the secondary dendrite arm spacing ( λ 2) and microhardness (HV). A water-cooled horizontal directional solidification device was applied. Microstructural characterization has been carried out using traditional techniques of metallography, optical, and SEM microscopy. The ThermoCalc software was used to generate the phase equilibrium diagrams as a function of Cu and Si for the analyzed alloys. The effects of Si and Cu elements on the λ 2 and HV evolution of the hypoeutectic binary Al-Cu and Al-Si alloys have been analyzed as well as the addition of Si in the formation of ternary Al-Cu-Si alloy. The secondary dendrite arm spacing was correlated with local solidification thermal parameters such as growth rate ( V L), cooling rate ( T R), and local solidification time ( t SL). This has allowed to observe that power experimental functions given by λ 2 = Constant ( V L)-2/3, λ 2 = Constant ( T R)-1/3 and λ 2 = Constant ( t SL)1/3 may represent growth laws of λ 2 with corresponding thermal parameters for investigated alloys. Hall-Petch equations have also been used to characterize the dependence of HV with λ 2. A comparative analysis is performed between λ 2 experimental values obtained in this study for Al-3wtpctCu-5.5wtpctSi alloy and the only theoretical model from the literature that has been proposed to predict the λ 2 growth in multicomponent alloys. Comparisons with literature results for upward directional solidification were also performed.

  6. Improving enzymatic production of diglycerides by engineering binary ionic liquid medium system.

    Science.gov (United States)

    Guo, Zheng; Kahveci, Derya; Ozçelik, Beraat; Xu, Xuebing

    2009-10-01

    The tunable property of ionic liquids (ILs) offers tremendous opportunity to rethink the strategy of current efforts to resolve technical challenges that occurred in many production approaches. To establish an efficient glycerolysis approach for enzymatic production of diglycerides (DG), this work reported a novel concept to improve DG yield by applying a binary IL system that consisted of one IL with better DG production selectivity and another IL being able to achieve higher conversion of triglycerides (TG). The candidates for combination were determined by individually examining lipase-catalyzed glycerolysis in different ILs, as a result, promising ones are divided into two groups based on their reaction specificities. The effects of parametric variables were then preliminarily evaluated, following a further investigation of the reaction performance in different binary IL systems from cross-group combinations. The combination of TOMA.Tf(2)N/Ammoeng 102 was employed for optimization by Response Surface Methodology. Eighty to eighty-five percent (mol%) of oil conversion and up to 90% (mol%) of total DG yield (73%, wt%) were obtained, which are markedly higher than those previously reported. This work demonstrated the practical feasibility to couple the technical advantage (high TG conversion and high DG production selective in this work) of individual ILs into a binary system to over-perform the reaction. It is believed that binary IL system could be also applicable to other enzymatic reaction systems for establishment of more efficient reaction protocols.

  7. Investigation on Thermal and Optical Properties of Hydrogen-Bonded Binary Liquid Crystals

    Science.gov (United States)

    Ranjeeth kumar, T.; Sundaram, S.; Vasanthi, T.; Subhasri, P.; Chitravel, T.; Senthil, T. S.; Jayaprakasam, R.; Vijayakumar, V. N.

    2016-12-01

    A homologous series of hydrogen-bonded liquid crystals (HBLCs) are synthesized and characterized. Intermolecular hydrogen bonding occurs between 4-methoxycinnamic acid (4MCA) and p-n-alkyloxy benzoic acids (nOBA, where n = 3, 7 to 12). These binary complexes have been obtained by following well-designed synthesis route. The subsequent binary complexes have been characterized by polarizing optical thermal microscopy (POM), differential scanning calorimetry (DSC), and Fourier transform infrared spectroscopy (FTIR). The present work explains the details of the association between the mesogenic phase behavior and H-bonding in the homologous series of 4MCA + nOBA. Nematic phase is interrelated with the closed dimers between acid molecules through the formation of strong hydrogen bonds. But, high concentrations are linked to the manifestation of smectic phases that disturb the local order of the nematic phase. As a result, the higher-order mesophases are observed in the present binary complex series. The inclusion of nematic LC (4MCA) in the nOBA alters the melting temperature and the clearing temperature as lower than those of the individual. Also, the wide mesophase regions of the present series are identified compared to those of the constituent mesogens. The optical tilt angle of binary mixtures for smectic C phase and thermal stability factors of the mesogenic phases have been discussed.

  8. On the atomic structure of liquid Ni-Si alloys: a neutron diffraction study

    Energy Technology Data Exchange (ETDEWEB)

    Gruner, S; Marczinke, J; Hoyer, W [Institute of Physics, Chemnitz University of Technology, D-09107 Chemnitz (Germany); Hennet, L [CNRS-CEMHTI, University of Orleans, F-45071 Orleans (France); Cuello, G J, E-mail: sascha.gruner@physik.tu-chemnitz.d [Institute Laue-Langevin, PO Box 156, F-38042 Grenoble (France)

    2009-09-23

    The atomic structure of the liquid NiSi and NiSi{sub 2} alloys is investigated by means of neutron diffraction experiments with isotopic substitution. From experimental data-sets obtained using four Ni isotopes, partial structure factors and pair correlation functions are obtained by applying a reverse Monte Carlo modelling approach. Both alloys were found to exhibit a strong tendency to hetero-coordination within the first coordination shell. In particular, covalent Si-Si bonds with somewhat greater distances seem to influence the structure of the liquid NiSi alloy.

  9. Experiments and Direct Numerical Simulations of binary collisions of miscible liquid droplets with different viscosities

    CERN Document Server

    Focke, C; Kuschel, M; Sommerfeld, M

    2012-01-01

    Binary droplet collisions are of importance in a variety of practical applications comprising dispersed two-phase flows. The background of our research is the prediction of properties of particulate products formed in spray processes. To gain a more thorough understanding of the elementary sub-processes inside a spray, experiments and direct numerical simulations of binary droplet collisions are used. The aim of these investigations is to develop semi-analytical descriptions for the outcome of droplet collisions. Such collision models can then be employed as closure terms for scale-reduced simulations. In the present work we focus on the collision of droplets of different liquids. These kinds of collisions take place in every spray drying process when droplets with different solids contents collide in recirculation zones. A new experimental method has been developed allowing for high spatial and time resolved recordings via Laser-induced fluorescence. The results obtained with the proposed method will be comp...

  10. Volumetric properties of binary mixtures of benzene with cyano-based ionic liquids

    Science.gov (United States)

    Gonfa, Girma; Bustam, Mohamad Azmi; Moniruzzaman, Muhammad; Murugesan, Thanabalan

    2014-10-01

    The objective of this study is to investigate the volumetric properties of the binary mixtures comprised benzene and two ionic liquids, 1-butyl-3-methylimidazolium thiocyanate ([BMIM][SCN]) and 1-butyl-3-methyl- imidazolium dicyanamide ([ BMIM ][ N ( CN )2]( . Densities (ρ) and viscosities (μ) of the binary mixtures were measured over a temperature range of 293.15 to 323.15 K and at atmospheric pressure. Excess molar volumes and viscosity deviations were calculated from the experimental densities and viscosities values. The volumetric properties of the mixtures were changed significantly with the change of compositions and temperatures. It was also found that the value of excess molar volume and viscosity deviations were negative (-ve) over the entire range of compositions. The results have been interpreted in terms of molecular interactions of ILs and benzene.

  11. Characterization of constitutional liquid film migration in nickel-base alloy 718

    Science.gov (United States)

    Acoff, V. L.; Thompson, R. G.

    1996-09-01

    When multiphase alloys are rapidly heated, it is possible to cause melting of the interface between phases. This is called constitutional liquation if, during melting, the bulk composition is in a nonliquid region of the phase diagram but the tie-line between the liquating phases passes through a liquid region. The liquid produced during constitutional liquation can spread along grain boundaries and promote liquid film migration (LFM). This is known as constitutional liquid film migration (CLFM), which is thermodynamically similar to liquid film migration; however, mechanistically there are significant differences. Nickel-base alloy 718 has been studied to show the features of migration that are unique to CLFM. Experimentation consisted of heat-treating rods of alloy 718 to promote the trapping of niobium carbide particles on the grain boundaries. These samples were then subjected to isothermal treatments above their constitutional-liquation temperature, which produced CLFM of the grain boundaries. The movement of the liquid films away from their centers of curvature, the formation of a new solid solution behind the migrated liquid films, and the reversals of curvature of the migrated liquid films confirmed that CLFM was the phenomenon observed. The concentration of niobium behind the migrated liquid films for isothermal treatments below the solidus temperature was shown to be greater than the niobium concentration in the matrix. Above the solidus temperature, there was no increase in niobium concentration. The validity of the coherency strain hypothesis as the driving force for CLFM in alloy 718 is discussed.

  12. Phase equilibrium calculations of ternary liquid mixtures with binary interaction parameters and molecular size parameters determined from molecular dynamics.

    Science.gov (United States)

    Oh, Suk Yung; Bae, Young Chan

    2010-07-15

    The method presented in this paper was developed to predict liquid-liquid equilibria in ternary liquid mixtures by using a combination of a thermodynamic model and molecular dynamics simulations. In general, common classical thermodynamic models have many parameters which are determined by fitting a model with experimental data. This proposed method, however, provides a simple procedure for calculating liquid-liquid equilibria utilizing binary interaction parameters and molecular size parameters determined from molecular dynamics simulations. This method was applied to mixtures containing water, hydrocarbons, alcohols, chlorides, ketones, acids, and other organic liquids over various temperature ranges. The predicted results agree well with the experimental data without the use of adjustable parameters.

  13. Activities of liquid Fe-As and Fe-Sb alloys saturated with carbon

    Institute of Scientific and Technical Information of China (English)

    Leandro Voisin; Kimio Itagaki

    2006-01-01

    A solid iron base alloy of the so-called furnace residue is often formed as a by-product in reduction smelting of lead sinter and scraps with high contents of arsenic and antimony. The use of phase separation into a liquid iron-rich alloy and a liquid lead-rich alloy in lead-iron-arsenic and lead-iron-antimony systems saturated with carbon at relatively low temperatures of about 1200℃ was proposed in a new process for treating the furnace residue to recover valuable elements into the lead-rich alloy and fix toxic arsenic into the iron-rich alloy. As a fundamental study for the proposed process, the activity coefficients and interaction parameters of the Fe-As and Fe-Sb systems saturated with carbon at 1200℃ were derived in this study, based on the determined phase relations in the Fe-Pb-As and Fe-Pb-Sb systems saturated with carbon.

  14. Liquid-liquid equilibria for binary and ternary systems containing glycols, aromatic hydrocarbons, and water: Experimental measurements and modeling with the CPA EoS

    DEFF Research Database (Denmark)

    Folas, Georgios; Kontogeorgis, Georgios; Michelsen, Michael Locht;

    2006-01-01

    Liquid-liquid equilibrium data of four binary glycol + aromatic hydrocarbon systems and three ternary systems containing water have been measured at atmospheric pressure. The measured systems are monoethylene glycol (MEG) + benzene or toluene, triethylene glycol (TEG) + benzene or toluene, MEG + ...

  15. Amorphous and nanocrystalline phase formation in highly-driven Al-based binary alloys

    Energy Technology Data Exchange (ETDEWEB)

    Kalay, Yunus Eren [Iowa State Univ., Ames, IA (United States)

    2009-01-01

    Remarkable advances have been made since rapid solidification was first introduced to the field of materials science and technology. New types of materials such as amorphous alloys and nanostructure materials have been developed as a result of rapid solidification techniques. While these advances are, in many respects, ground breaking, much remains to be discerned concerning the fundamental relationships that exist between a liquid and a rapidly solidified solid. The scope of the current dissertation involves an extensive set of experimental, analytical, and computational studies designed to increase the overall understanding of morphological selection, phase competition, and structural hierarchy that occurs under far-from equilibrium conditions. High pressure gas atomization and Cu-block melt-spinning are the two different rapid solidification techniques applied in this study. The research is mainly focused on Al-Si and Al-Sm alloy systems. Silicon and samarium produce different, yet favorable, systems for exploration when alloyed with aluminum under far-from equilibrium conditions. One of the main differences comes from the positions of their respective T0 curves, which makes Al-Si a good candidate for solubility extension while the plunging T0 line in Al-Sm promotes glass formation. The rapidly solidified gas-atomized Al-Si powders within a composition range of 15 to 50 wt% Si are examined using scanning and transmission electron microscopy. The non-equilibrium partitioning and morphological selection observed by examining powders at different size classes are described via a microstructure map. The interface velocities and the amount of undercooling present in the powders are estimated from measured eutectic spacings based on Jackson-Hunt (JH) and Trivedi-Magnin-Kurz (TMK) models, which permit a direct comparison of theoretical predictions. For an average particle size of 10 {micro}m with a Peclet number of ~0.2, JH and TMK deviate from

  16. Determining the applicability of liquid alloy nitriding in fabrication of Al-AlN particle composites

    Directory of Open Access Journals (Sweden)

    J. Śleziona

    2008-08-01

    Full Text Available One of the possible techniques of the fabrication of dispersion-hardened composites is by in situ reaction between the liquid alloy and gas. The study presents the results of the research on nitriding of liquid aluminium alloy containing Mg and Ti as alloying elements under the conditions of high pressure comprised in the range of 150-1000hPa at the temperature of up to 1100oC. It has been stated that under the applied conditions of the synthesis it is possible to obtain the AlN nitride, but it is formed on the liquid alloy surface and as a deposit on the surface of the crucible. Some results of the analysis of the phase constitution obtained in the fabricated products were presented along with the structure of these products.

  17. Effects of Solid-Liquid Mixing on Microstructure of Semi-Solid A356 Aluminum Alloy

    Science.gov (United States)

    Guo, H. M.; Wang, L. J.; Wang, Q.; Yang, X. J.

    2014-08-01

    The desired starting material for semi-solid processing is the semi-solid slurry in which the solid phase is present as fine and globular particles. A modified solid-liquid mixing (SLM) is reported wherein semi-solid slurry can be produced by mixing a solid alloy block into a liquid alloy, and mechanical vibration is utilized to enhance the mixing. Effects such as liquid alloy temperature, mass ratio, and mixing intensity on the microstructure and the cooling curves during SLM were evaluated. 2D and 3D microstructure analysis of treated A356 aluminum alloy shows that microstructure can be refined significantly with a considerable morphology change in primary Al phase. It is critical that the temperature of mixture after mixing is lower than its liquidus temperature to obtain a valid SLM process. Specially, mixing intensity is identified as a primary factor for a favorable microstructure of semi-solid slurry.

  18. Isothermal corrosion (γ'+γ) Ni3Al alloy in liquid zinc

    Institute of Scientific and Technical Information of China (English)

    WANG Wen-jun; LIN Jun-pin; WANG Yan-li; CHEN Guo-liang

    2006-01-01

    The isothermal corrosion testing and microscopic examination of Ni3Al alloy in liquid zinc containing small amounts of aluminum (mass fraction less than 0.2%) at 450 ℃ were carried out. The results show that the controlling mechanism of the dissolution reaction is diffusion through a boundary layer into liquid zinc. For two-phase alloy, Ni3Al alloy (γ'+γ), the interface between dissolving solid and liquid remains remarkably planar and the difference in dissolution of the two adjacent phases (γ'+γ) can not be experimentally observed. The boundaries between γ' phase and γ phase play no perceptible role in the dissolution of Ni3Al alloy in liquid zinc. The X-ray diffraction spectra of the diffusion layer confirm the presence of Ni5Zn21. The corrosion rate of the Ni3Al alloy in molten zinc was calculated to be approximately 2.6×10-3 g/(cm2-h), therefore the liquid zinc corrosion resistance of Ni3Al alloy is very weak.

  19. Investigation of ordering phenomenon in Me–Pt (Me=Fe,Ni liquid alloys

    Directory of Open Access Journals (Sweden)

    Yisau Adelaja Odusote

    2008-01-01

    Full Text Available The phase diagrams of Fe–Pt and Ni–Pt liquid alloy systems show the existence of FePt and NiPt intermetallic compounds, respectively, in their solid intermediate states, and the associative tendency between unlike atoms in these liquid alloys has been analysed using the self-association model. The concentration dependences of mixing properties such as the free energy of mixing, GM; the concentration fluctuations, Scc(0, in the long-wavelength limits; the chemical short-range order (CSRO parameter, α1; as well as the chemical diffusion, enthalpy and entropy of the mixing of Fe–Pt and Ni–Pt liquid alloys have been investigated to determine the nature of ordering in the liquid alloys. The results show that heterocoordination occurs in the alloys at all concentrations. The effect of CSRO on Scc(0, chemical diffusion, D, and the order parameter, α1, has been considered. The ordering phenomenon in the liquid alloys is also related to the effect of the atomic size mismatch volume on Scc(0.

  20. Measurement and Correlation of Vapor-Liquid Equilibrium for Binary System 1,2-Epoxycyclohexane+1,2-Dichloroethane

    Institute of Scientific and Technical Information of China (English)

    周彩荣; 王海峰; 石晓华; 蒋登高

    2013-01-01

    Vapor-liquid equilibrium data (T, x, y) of binary system 1,2-epoxycyclohexane+1,2-dichloroethane were determined experimentally by using a modified ROSE-Williams equilibrium vaporization system at 101.33 kPa. The results show that this binary system does not have azeotropic point. The vapor-liquid equilibrium data are in thermodynamic consistency. The binary interaction parameters in the Wilson equation are presented with the correlation of vapor-liquid equilibrium data. The measurements of liquid phase composition and bubble point tem-perature are well represented by the Wilson equation. Values of vapor molecular fractions and activity coefficients from the Wilson equation are presented. This work provides important engineering data for the separation of 1,2-dichloroethane and 1,2-epoxycyclohexane .

  1. Nucleate Pool Boiling of Pure Liquids and Binary Mixtures:part II—Analytical Model for Boiling Heat Transfer of Binary Mixtures on Smooth Tubes and Comparison of Analytical Models for both Pure Liqu

    Institute of Scientific and Technical Information of China (English)

    GuoqingWang; YingkeTan

    1996-01-01

    A combined physical model of bubbel growth is propsed along with a corresponding bubble growth model for binary mixtures on smooth tubes.Using the general model of Wang et al.[1].and the bubble growth model for binary mixtures,an analytical model for nucleate pool boiling heat transfer of binary mixtures on smooth tubes is developed.In addition,nucleate pool boiling heat transfer of pure liquids and binary mixtrues on a horizontal smooth tube was studied experimentally.The pure liquids and binary mixtures included water methanol,ehanol,and their binary mixtures.The analytical models for both pure liquids and binary mixtures are in good agreement with the experimental data.

  2. Structure of liquid caesium-bismuth alloys studied by neutron diffraction

    NARCIS (Netherlands)

    van der Aart, SA; Verhoeven, VWJ; Verkerk, P; van der Lugt, W

    2000-01-01

    Neutron diffraction experiments were carried out for two liquid alloys with compositions CsBi and Cs3Bi2. The results indicate that probably polyanions with an average number of about two Bi atoms per cluster are formed. This result contrasts with that for liquid Cs-Sb, which contains larger chains

  3. Raman and ab initio studies of simple and binary 1-alkyl-3-methylimidazolium ionic liquids

    DEFF Research Database (Denmark)

    Berg, R.W.; Deetlefs, M.; Seddon, K.R.

    2005-01-01

    Raman spectra of the ionic liquids, 1-butyl-3-methylimidazolium hexafluorophosphate ([C(4)mim][PF6]), 1-hexyl-3-methylimidazolium chloride ([C(6)mim]Cl), and 1-hexyl-3-methylimidazolium hexafluorophosphate ([C(6)mim][PF6]), and binary mixtures thereof, have been assigned using ab initio MP2...... calculations. The previously reported anti and gauche forms of the [C(4)mim](+) cation have been observed, and this study reveals this to be a general feature of the long-chain I-alkyl derivatives. Analysis of mixtures Of [C(6)mim]Cl and [C(6)mim][PF6] has provided information on the nature of the hydrogen...

  4. Study of Molecular Interactions in Binary Liquid Mixtures by Acoustical Method at 303K

    Directory of Open Access Journals (Sweden)

    P. Paul Divakar

    2012-01-01

    Full Text Available Ultrasonic velocity and density measurements were made in two binary liquid mixtures Isopropyl acetate (IPA and Isobutyl acetate (IBA with cyclohexanone (CY as a common component at 303K, at fixed frequency of 2MHz using single crystal variable path interferometer and specific gravity bottle respectively. The experimental data have been used to calculate the acoustic impedance, adiabatic compressibility, inter molecular free length and molar volume. The excess thermodynamic parameters have been evaluated and discussed in the light of molecular interactions.

  5. VISCOSITY OF BINARY NON-ELECTROLYTE LIQUID MIXTURES: PREDICTION AND CORRELATION

    Directory of Open Access Journals (Sweden)

    Mirjana Lj. Kijevčanin

    2008-11-01

    Full Text Available The viscosity of 31 binary liquid mixtures containing diverse groups of organic compounds, determined at atmospheric pressure: alcohols, alkanes (cyclo and aliphatic, esters, aromatics, ketones etc., were calculated using two different approaches, correlative (with Teja-Rice and McAllister models and predictive by group contribution models (UNIFAC-VISCO, ASOG-VISCO and Grunberg-Nissan. The obtained results were analysed in terms of the applied approach and model, the structure of the investigated mixtures, the nature of components of the mixtures and the influence of alkyl chain length of the alcohol molecule.

  6. Quantum chemical analysis of binary and ternary ferromagnetic alloys; Quantenchemische Untersuchungen binaerer und ternaerer ferromagnetischer Legierungen

    Energy Technology Data Exchange (ETDEWEB)

    Jacobs, Yasemin Erika Charlotte

    2007-02-23

    In this work the electronic structures, densities of states, chemical bonding, magnetic exchange Parameters and Curie temperatures of binary and ternary ferromagnetic alloys are analyzed. The electronic structure of ferromagnetic MnAl has been calculated using density-functional techniques (TB-LMTO-ASA, FPLAPW) and quantum chemically analyzed by means of the crystal orbital Hamilton population analysis. The crystal structure of the ferromagnetic tetragonal MnAl may be understood to originate from the structure of nonmagnetic cubic MnAl with a CsCl motif through a two-step process. While the nonmagnetic cubic structure is stable against a structural deformation, antibonding Mn-Mn interactions at the Fermi level lead to spin polarization and the onset of magnetism, i.e., a symmetry reduction taking place solely in the electronic degrees of freedom, by that emptying antibonding Mn-Mn states. Residual antibonding Al--Al states can only be removed by a subsequent, energetically smaller structural deformation towards the tetragonal system. As a final result, homonuclear bonding is strengthened and heteronuclear bonding is weakened. Corresponding DFT calculations of the electronic structure as well as the calculation of the chemical bonding and the magnetic exchange interactions have been performed on the basis of LDA and GGA for a series of ferromagnetic full Heusler alloys of general formula Co2MnZ (Z=Ga,Si,Ge,Sn), Rh2MnZ (Z=Ge,Sn,Pb), Ni2MnZ (Z=Ga,In,Sn), Pd2MnZ (Z=Sn,Sb) and Cu2MnZ (Z=Al,In,Sn). The connection between the electronic spectra and the magnetic interactions have been studied. Correlations between the chemical bondings in Heusler alloys derived from COHP analysis and magnetic phenomena are obvious, and different mechanisms leading to spin polarization and ferromagnetism are derived. The band dependence of the exchange parameters, their dependence on volume and valence electron concentration have been thoroughly analyzed within the Green function technique

  7. Microstructural evolution and mechanical properties of hypereutectic Al–Si alloy processed by liquid die forging

    Indian Academy of Sciences (India)

    F F Wu; S T Li; G A Zhang; F Jiang

    2014-08-01

    The microstructural evolution and mechanical properties of a hypereutectic Al–Si alloy processed by liquid die forging were investigated. It is found that the grain size of the primary Si was significantly reduced by liquid die forging with increased pressure. The volume fraction of eutectic silicon was decreased with increased pressure. By liquid die forging with pressure up to 180 MPa, the average size of the primary Si was reduced to about 18 m, which results in the remarkable increase in the fracture strength and hardness of the hypereutectic Al–Si alloy.

  8. In situ determination of binary alloy melt compositions in the LHDAC by X- Radiography

    Science.gov (United States)

    Lord, O. T.; Walter, M. J.; Walker, D.; Clark, S. M.

    2008-12-01

    Constraining the light element in Earth's molten outer core requires an understanding of the melting phase relations in iron-light element binary systems. For example, it is critical to determine the composition of liquids at binary eutectics. Typically such measurements are carried out after the sample has been quenched in temperature and pressure. Such 'cook and look' methods possibly suffer from systematic errors introduced by exsolution of the light element from the melt on quench and error in the reintegration of the liquid composition [1]. Here, we present a novel method for the determination of melt compositions in iron-light element binary systems in situ in the LHDAC at simultaneous high-pressure, high-temperature conditions. Samples consist of a light element bearing compound, such as FeO, surrounded by a pure iron ring, forming a donut ~100 μm in diameter and ~15 μm thick. The donuts are loaded into stainless steel gaskets in the DAC, sandwiched between discs fabricated from sol-gel deposited nanocrystalline Al2O3 with similar dimensions to the donut. Pressure is monitored by ruby fluorescence during compression. The sample is heated at the boundary between the iron and light element compound using two 100 W IR lasers in a double-sided configuration at beamline 12.2.2 at the Advanced Light Source. Temperature is measured by spectroradiometry. Before, during and after melting, X-radiographic images of the sample are taken by shining a defocused beam of synchrotron X-rays through the sample and onto a CdWO4 phosphor. The visible light from the phosphor is then focused onto a high resolution CCD, where absorption contrast images are recorded. The absorption of the molten region is then determined, and it's composition calculated by linear interpolation between the absorption of the two solid end members. As a test of the reliability of the method we measured the Fe-FeS eutectic to 20 GPa and our results are in good agreement with previous studies that are

  9. Molecular Dynamics Simulation for the Binary Mixtures of High Pressure Carbon Dioxide and Ionic Liquids

    Institute of Scientific and Technical Information of China (English)

    徐君臣; 王松; 喻文; 徐琴琴; 王伟彬; 银建中

    2014-01-01

    Molecular dynamics simulation with an all-atom force field has been carried out on the two binary sys-tems of [bmim][PF6]-CO2 and [bmim][NO3]-CO2 to study the transport properties, volume expansion and micro-structures. It was found that addition of CO2 in the liquid phase can greatly decrease the viscosity of ionic liquids (ILs) and increase their diffusion coefficient obviously. Furthermore, the volume expansion of ionic liquids was found to increase with the increase of the mole fraction of CO2 in the liquid phase but less than 35%for the two simulated systems, which had a significant difference with CO2 expanded organic solvents. The main reason was that there were some void spaces inter and intra the molecules of ionic liquids. Finally, site to site radial distribution functions and corresponding number integrals were investigated and it was found that the change of microstructures of ILs by addition CO2 had a great influence on the properties of ILs.

  10. Density functional theory of gas-liquid phase separation in dilute binary mixtures.

    Science.gov (United States)

    Okamoto, Ryuichi; Onuki, Akira

    2016-06-22

    We examine statics and dynamics of phase-separated states of dilute binary mixtures using density functional theory. In our systems, the difference of the solvation chemical potential between liquid and gas [Formula: see text] (the Gibbs energy of transfer) is considerably larger than the thermal energy [Formula: see text] for each solute particle and the attractive interaction among the solute particles is weaker than that among the solvent particles. In these conditions, the saturated vapor pressure increases by [Formula: see text], where [Formula: see text] is the solute density added in liquid. For [Formula: see text], phase separation is induced at low solute densities in liquid and the new phase remains in gaseous states, even when the liquid pressure is outside the coexistence curve of the solvent. This explains the widely observed formation of stable nanobubbles in ambient water with a dissolved gas. We calculate the density and stress profiles across planar and spherical interfaces, where the surface tension decreases with increasing interfacial solute adsorption. We realize stable solute-rich bubbles with radius about 30 nm, which minimize the free energy functional. We then study dynamics around such a bubble after a decompression of the surrounding liquid, where the bubble undergoes a damped oscillation. In addition, we present some exact and approximate expressions for the surface tension and the interfacial stress tensor.

  11. Study of atomic structure of liquid Hg-In alloys using ab-initio molecular dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, Nalini; Ahluwalia, P. K. [Department of Physics, Himachal Pradesh University, Shimla(HP)-171005 (India); Thakur, Anil [Department of Physics, Govt. P. G. College Solan (HP)-173212 (India)

    2015-05-15

    Ab-initio molecular dynamics simulations are performed to study the structural properties of liquid Hg-In alloys. The interatomic interactions are described by ab-initio pseudopotentials given by Troullier and Martins. Five liquid Hg-In mixtures (Hg{sub 10}In{sub 90}, Hg{sub 30}In{sub 70}, Hg{sub 50}In{sub 50}, Hg{sub 70}In{sub 30} and Hg{sub 90}In{sub 10}) at 299K are considered. The radial distribution function g(r) and structure factor S(q) of considered alloys are compared with respective experimental results for liquid Hg (l-Hg) and (l-In). The radial distribution function g(r) shows the presence of short range order in the systems considered. Smooth curves of Bhatia-Thornton partial structure factors factor shows the presence of liquid state in the considered alloys.

  12. Platinum-free binary Co-Ni alloy counter electrodes for efficient dye-sensitized solar cells.

    Science.gov (United States)

    Chen, Xiaoxu; Tang, Qunwei; He, Benlin; Lin, Lin; Yu, Liangmin

    2014-09-26

    Dye-sensitized solar cells (DSSCs) have attracted growing interest because of their application in renewable energy technologies in developing modern low-carbon economies. However, the commercial application of DSSCs has been hindered by the high expenses of platinum (Pt) counter electrodes (CEs). Here we use Pt-free binary Co-Ni alloys synthesized by a mild hydrothermal strategy as CE materials in efficient DSSCs. As a result of the rapid charge transfer, good electrical conduction, and reasonable electrocatalysis, the power conversion efficiencies of Co-Ni-based DSSCs are higher than those of Pt-only CEs, and the fabrication expense is markedly reduced. The DSSCs based on a CoNi0.25 alloy CE displays an impressive power conversion efficiency of 8.39%, fast start-up, multiple start/stop cycling, and good stability under extended irradiation. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Anomalous Halo Formation in an Arc-Melted ScNi-Sc2Ni Off-Eutectic Binary Alloy

    Directory of Open Access Journals (Sweden)

    Kai Wang

    2016-07-01

    Full Text Available Diverse non-equilibrium eutectic structures have attracted numerous experimental and theoretical studies. One special type is the formation of a halo of one phase around a primary dendrite of another phase. In our experiments, it was occasionally observed that ScNi halos grow as dendritic morphology around the primary Sc 2 Ni dendrites in an arc-melted ScNi-Sc 2 Ni off-eutectic binary alloy. The formation of this anomalous halo structure was then well reproduced by employing quantitative phase-field simulations. Based on the phase-field simulation, It was found that (i the large undercooling and growth velocity of the ScNi phase during solidification causes the formation of halos; and (ii the released latent heat induces the recalescence phenomenon, and changes the solidification sequence largely, resulting in the anomalous halo structure in the Sc-34 at % Ni alloy.

  14. Numerical Simulation and Experimental Characterization of a Binary Aluminum Alloy Spray - Application to the Spray Rolling Process

    Energy Technology Data Exchange (ETDEWEB)

    S. B. Johnson; J.-P. Delplanque; Y. Lin; Y. Zhou; E. J. Lavernia; K. M. McHugh

    2005-02-01

    A stochastic, droplet-resolved model has been developed to describe the behavior of a binary aluminum alloy spray during the spray-rolling process. In this process, a molten aluminum alloy is atomized and the resulting spray is depostied on the rolls of a twin-roll caster to produce aluminum strip. The one-way coupled spray model allows the prediction of spray characteristics such as enthalph and solid fraction, and their distribution between the nozzle and the depostion surface. This paper outlines the model development and compares the predicted spray dynamics to PDI measurements performed in a controlled configuration. Predicted and measured droplet velocity and size distributions are presented for two points along the spray centerline along with predicted spray averaged specific enthalph and solid fraction curves.

  15. Phase field simulation of the interface morphology evolution and its stability during directional solidification of binary alloys

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    The influences of pulling speed V and temperature gradient G on morphology evolution, concentration distribution, solute trapping and interface stability during directional solidification of binary alloys have been studied with the B-S phase field model. Simulated results reproduced the morphology transitions of deep cell to shallow cell and shallow cell to plane front. The primary cellular spacing, depth of groove and effective solute redistribution coefficient for different V and G are compared. The absolute stability under high pulling speed and high temperature gradient has also been predicted, which is in agreement with the Mullins-Sekerka (M-S) stability theory.

  16. Phase field modeling of multiple dendrite growth of Al-Si binary alloy under isothermal solidifi cation

    Directory of Open Access Journals (Sweden)

    Sun Qiang

    2008-11-01

    Full Text Available Phase field method offers the prospect of being able to perform realistic numerical experiments on dendrite growth in metallic systems. In this study, the growth process of multiple dendrites in Al-2-mole-%-Si binary alloy under isothermal solidifi cation was simulated using phase fi eld model. The simulation results showed the impingement of arbitrarily oriented crystals and the competitive growth among the grains during solidifi cation. With the increase of growing time, the grains begin to coalesce and impinge the adjacent grains. When the dendrites start to impinge, the dendrite growth is obviously inhibited.

  17. Thermodynamic properties of binary liquid mixtures of diethylenetriamine with alcohols at different temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Dubey, Gyan Prakash, E-mail: gyan.dubey@rediffmail.com [Department of Chemistry, Kurukshetra University, Kurukshetra 136119 (India); Kumar, Krishan [Department of Chemistry, Kurukshetra University, Kurukshetra 136119 (India)

    2011-09-20

    Highlights: {yields} Thermodynamic study of diethylenetriamine + 2-methyl-1-propanol, +2-propanol or +1-butanol have been made. {yields} Excess molar volumes and isentropic compressibility were determined. {yields} Types of interactions were discussed based on derived properties. - Abstract: Densities, {rho}, viscosities, {eta}, and speeds of sound, u, were measured for the binary liquid mixtures containing diethylenetriamine with 2-methyl-1-propanol, 2-propanol and 1-butanol at 293.15, 298.15, 303.15, 308.15 and 313.15 K. From density and speed of sound data, excess molar volumes, V{sub m}{sup E} and deviations in isentropic compressibility, {Delta}{kappa}{sub s}, and speed of sound, {Delta}u have been evaluated. Viscosity data were used to compute deviations in viscosity and excess Gibbs energy of activation of viscous flow {Delta}G*{sup E} at 298.15, 303.15 and 308.15 K. A Redlich-Kister type equation was applied to fit the excess molar volumes and deviations in isentropic compressibility, speed of sound and viscosity data. The viscosity data have been correlated with the equations of Grunberg-Nissan, Tamura-Kurata, Heric-Brewer and of Hind et al. All the binary systems of the present study have negative values of excess molar volumes and deviations in isentropic compressibility over whole composition range and at all temperatures which indicates strong interactions between the components of binary mixtures.

  18. Binary mixtures of hydrogen-bonded ferroelectric liquid crystals. Thermal span enhancement in smectic X* phase

    Energy Technology Data Exchange (ETDEWEB)

    Sangameswari, Gopal; Prabu, Nataraj Pongali Sathya; Madhu Mohan, Mathukumalli Lakshmi Narayana [Bannari Amman Institute of Technology, Sathyamangalam (India). Liquid Crystal Research Laboratory (LCRL)

    2015-07-01

    Thermotropic hydrogen-bonded ferroelectric binary liquid crystal mixtures comprising of N-carbamyl-l-glutamic acid (CGA) and p-n-alkyloxy benzoic acids (BAO) are investigated. Variation in the molar proportion of X and Y (where X=CGA+5BAO and Y=CGA+9BAO, CGA+10BAO, CGA+11BAO, and CGA+12BAO) comprising of four series yielded 36 binary mixtures. Optical and thermal properties of these mixtures are meticulously studied in the present article. In addition to the traditional phases, a novel smectic ordering namely smectic X* is observed in all the four series. The aim of the investigation is to obtain abundance occurrence of smectic X* with a large thermal span, and hence, the proportions of the binary mixtures are so chosen that the prelude task is accomplished. Optical tilt angle in smectic X* and smectic C* phases is experimentally determined, and a theoretical fit is performed. Phase diagrams of the four series are constructed from the data obtained from the differential scanning calorimetry and correlated with the phases recorded by the polarising optical microscope studies. Thermal stability factor and thermal equilibrium are also premeditated.

  19. Transition Temperatures of Thermotropic Liquid Crystals from the Local Binary Gray Level Cooccurrence Matrix

    Directory of Open Access Journals (Sweden)

    S. Sreehari Sastry

    2012-01-01

    Full Text Available This paper presents a method which combines the statistical analysis with texture structural analysis called Local Binary Gray Level Cooccurrence Matrix (LBGLCM to investigate the phase transition temperatures of thermotropic p,n-alkyloxy benzoic acid (nOBA, n=4,6,8,10 and 12 liquid crystals. Textures of the homeotropically aligned liquid crystal compounds are recorded as a function of temperature using polarizing optical microscope attached to the hot stage and high resolution camera. In this method, second-order statistical parameters (contrast, energy, homogeneity, and correlation are extracted from the LBGLCM of the textures. The changes associatedwiththe values of extracted parameters as a function of temperature are a helpful process to identify the phases and phase transition temperatures of the samples. Results obtained from this method have validity and are in good agreement with the literature.

  20. A phase-field-lattice Boltzmann method for modeling motion and growth of a dendrite for binary alloy solidification in the presence of melt convection

    Science.gov (United States)

    Rojas, Roberto; Takaki, Tomohiro; Ohno, Munekazu

    2015-10-01

    In this study, a combination of the lattice Boltzmann method (LBM) and the phase-field method (PFM) is used for modeling simultaneous growth and motion of a dendrite during solidification. PFM is used as a numerical tool to simulate the morphological changes of the solid phase, and the fluid flow of the liquid phase is described by using LBM. The no-slip boundary condition at the liquid-solid interface is satisfied by adding a diffusive-forcing term in the LBM formulation. The equations of motion are solved for tracking the translational and rotational motion of the solid phase. The proposed method is easily implemented on a single Cartesian grid and is suitable for parallel computation. Two-dimensional benchmark computations show that the no-slip boundary condition and the shape preservation condition are satisfied in this method. Then, the present method is applied to the calculation of dendritic growth of a binary alloy under melt convection. Initially, the solid is stationary, and then, the solid moves freely due to the influence of fluid flow. Simultaneous growth and motion are effectively simulated. As a result, it is found that motion and melt convection enhance dendritic growth along the flow direction.

  1. Texture and mechanical properties of tape substrates from binary and ternary copper alloys for second-generation high-temperature superconductors

    Science.gov (United States)

    Khlebnikova, Yu. V.; Rodionov, D. P.; Gervas'eva, I. V.; Suaridze, T. R.; Egorova, L. Yu.; Akshentsev, Yu. N.; Kazantsev, V. A.

    2015-01-01

    The process of texture formation in tapes made of a number of binary and ternary copper alloys upon cold rolling to degrees of deformation of 98.6-99% and subsequent recrystallization annealing has been studied. The possibility of designing multicomponent alloys based on the binary Cu-30% Ni alloy additionally alloyed with elements that strengthen the fcc matrix, such as iron or chromium, has been shown. The opportunity of obtaining a perfect cube texture in a thin tape made of binary and ternary copper alloys opens prospects for their use as substrates in the technology of second-generation HTSC cables. Optimum regimes of annealing have been determined, which make it possible to obtain in the Cu- M and Cu-(30-40)Ni- M ( M = Fe, Cr, Mn) alloys a perfect biaxial texture with the fraction of cube grains {001} on the surface of the tape more than 94%. The estimation of the mechanical properties of the textured tapes of the investigated alloys demonstrates a yield strength that is 2.5-4.5 times greater than that in the textured tape of pure copper.

  2. Ultrasmall PdmMn1-mOx binary alloyed nanoparticles on graphene catalysts for ethanol oxidation in alkaline media

    Science.gov (United States)

    Ahmed, Mohammad Shamsuddin; Park, Dongchul; Jeon, Seungwon

    2016-03-01

    A rare combination of graphene (G)-supported palladium and manganese in mixed-oxides binary alloyed catalysts (BACs) have been synthesized with the addition of Pd and Mn metals in various ratios (G/PdmMn1-mOx) through a facile wet-chemical method and employed as an efficient anode catalyst for ethanol oxidation reaction (EOR) in alkaline fuel cells. The as prepared G/PdmMn1-mOx BACs have been characterized by several instrumental techniques; the transmission electron microscopy images show that the ultrafine alloyed nanoparticles (NPs) are excellently monodispersed onto the G. The Pd and Mn in G/PdmMn1-mOx BACs have been alloyed homogeneously, and Mn presents in mixed-oxidized form that resulted by X-ray diffraction. The electrochemical performances, kinetics and stability of these catalysts toward EOR have been evaluated using cyclic voltammetry in 1 M KOH electrolyte. Among all G/PdmMn1-mOx BACs, the G/Pd0.5Mn0.5Ox catalyst has shown much superior mass activity and incredible stability than that of pure Pd catalysts (G/Pd1Mn0Ox, Pd/C and Pt/C). The well dispersion, ultrafine size of NPs and higher degree of alloying are the key factor for enhanced and stable EOR electrocatalysis on G/Pd0.5Mn0.5Ox.

  3. Structure, compressibility factor, and dynamics of highly size-asymmetric binary hard-disk liquids.

    Science.gov (United States)

    Xu, Wen-Sheng; Sun, Zhao-Yan; An, Li-Jia

    2012-09-14

    By using event-driven molecular dynamics simulation, we investigate effects of varying the area fraction of the smaller component on structure, compressibility factor, and dynamics of the highly size-asymmetric binary hard-disk liquids. We find that the static pair correlations of the large disks are only weakly perturbed by adding small disks. The higher-order static correlations of the large disks, by contrast, can be strongly affected. Accordingly, the static correlation length deduced from the bond-orientation correlation functions first decreases significantly and then tends to reach a plateau as the area fraction of the small disks increases. The compressibility factor of the system first decreases and then increases upon increasing the area fraction of the small disks and separating different contributions to it allows to rationalize this non-monotonic phenomenon. Furthermore, adding small disks can influence dynamics of the system in quantitative and qualitative ways. For the large disks, the structural relaxation time increases monotonically with increasing the area fraction of the small disks at low and moderate area fractions of the large disks. In particular, "reentrant" behavior appears at sufficiently high area fractions of the large disks, strongly resembling the reentrant glass transition in short-ranged attractive colloids and the inverted glass transition in binary hard spheres with large size disparity. By tuning the area fraction of the small disks, relaxation process for the small disks shows concave-to-convex crossover and logarithmic decay behavior, as found in other binary mixtures with large size disparity. Moreover, diffusion of both species is suppressed by adding small disks. Long-time diffusion for the small disks shows power-law-like behavior at sufficiently high area fractions of the small disks, which implies precursors of a glass transition for the large disks and a localization transition for the small disks. Therefore, our results

  4. True molecular solutions of natural cellulose in the binary ionic liquid-containing solvent mixtures.

    Science.gov (United States)

    Rein, Dmitry M; Khalfin, Rafail; Szekely, Noemi; Cohen, Yachin

    2014-11-04

    Evidence is presented for the first time of true molecular dissolution of cellulose in binary mixtures of common polar organic solvents with ionic liquid. Cryogenic transmission electron microscopy, small-angle neutron-, X-ray- and static light scattering were used to investigate the structure of cellulose solutions in mixture of dimethyl formamide and 1-ethyl-3-methylimidazolium acetate. Structural information on the dissolved chains (average molecular weight ∼ 5 × 10(4)g/mol; gyration radius ∼ 36 nm, persistence length ∼ 4.5 nm), indicate the absence of significant aggregation of the dissolved chains and the calculated value of the second virial coefficient ∼ 2.45 × 10(-2)mol ml/g(2) indicates that this solvent system is a good solvent for cellulose. More facile dissolution of cellulose could be achieved in solvent mixtures that exhibit the highest electrical conductivity. Highly concentrated cellulose solution in pure ionic liquid (27 wt.%) prepared according to novel method, utilizing the rapid evaporation of a volatile co-solvent in binary solvent mixtures at superheated conditions, shows insignificant cellulose molecular aggregation.

  5. Magnetostriction of heavily deformed Fe–Co binary alloys prepared by forging and cold rolling

    Energy Technology Data Exchange (ETDEWEB)

    Yamaura, Shin-ichi, E-mail: yamaura@imr.tohoku.ac.jp [Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba, Sendai 980-8577 (Japan); Nakajima, Takashi [Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba, Sendai 980-8577 (Japan); Satoh, Takenobu; Ebata, Takashi [Tohoku Steel, Co., Ltd., 23 Nishigaoka, Murata, Murata-machi, Shibata 989-1393 (Japan); Furuya, Yasubumi [North Japan Research Institute for Sustainable Energy, Hirosaki University, 2-1-3 Matsubara, Aomori 030-0813 (Japan)

    2015-03-15

    Highlights: • The as-forged Fe{sub 25}Co{sub 75} alloy shows the magnetostriction of 108 ppm. • The as-cold rolled Fe{sub 25}Co{sub 75} alloy shows the magnetostriction of 140 ppm. • Magnetostriction of Fe–Co alloy reached the maximum in a single bcc state. • Fcc phase is harmful to the increase in magnetostriction of Fe–Co alloy. • Fcc phase precipitation in Fe–Co alloy can be suppressed by cold rolling. - Abstract: Magnetostriction of Fe{sub 1−x}Co{sub x} (x = 50–90 at%) alloys prepared by forging and subsequent cold-rolling was studied as functions of alloy compositions and thermomechanical treatments. Magnetostriction of the as-forged Fe{sub 25}Co{sub 75} alloy was 108 ppm and that of the as-cold rolled Fe{sub 25}Co{sub 75} alloy measured parallel to the rolling direction (RD) was 128 ppm. The cold-rolled Fe{sub 25}Co{sub 75} alloy possessed a nearly {1 0 0}<0 1 1> texture, leading to the maximum magnetostriction of 140 ppm when measured at an angle of 45° to RD. Moreover, the fully annealed Fe{sub 25}Co{sub 75} and Fe{sub 20}Co{sub 80} alloys were gradually cold rolled and magnetostriction were measured. Results showed that the magnetostriction of those cold-rolled alloys drastically increased with increasing reduction rate. According to the XRD and TEM observations, intensity of the fcc peak gradually decreased with increasing reduction rate and that the alloys became to be in a bcc single state at a reduction rate higher than 90%, leading to a drastic increase in magnetostriction.

  6. Numerical study of heat and mass transfer during evaporation of a turbulent binary liquid film

    Directory of Open Access Journals (Sweden)

    Khalal Larbi

    2015-01-01

    Full Text Available This paper deals with a computational study for analysing heat and mass exchanges in the evaporation of a turbulent binary liquid film (water-ethanol and water-methanol along a vertical tube. The film is in co-current with the dry air and the tube wall is subjected to a uniform heat flux. The effect of gas-liquid phase coupling, variable thermophysical properties and film vaporization are considered in the analysis. The numerical method applied solves the coupled governing equations together with the boundary and interfacial conditions. The algebraic systems of equations obtained are solved using the Thomas algorithm. The results concern the effects of the inlet liquid Reynolds number and inlet film composition on the intensity of heat and mass transfer. In this study, results obtained show that heat transferred through the latent mode is more pronounced when the concentration of volatile components is higher in the liquid mixture .The comparisons of wall temperature and accumulated mass evaporation rate with the literature results are in good agreement.

  7. Gauge-invariant approach to thermodiffusion in a liquid binary mixture

    Science.gov (United States)

    Bringuier, E.

    2011-06-01

    The paper aims at a molecular understanding of thermodiffusion (the Ludwig-Soret effect) in a liquid binary mixture. To this end, we first review the capabilities of the Maxwell-Stefan description of interdiffusion, which in a liquid rests upon the use of a thermodynamic force. The latter is defined here as a force per particle which generalizes the mechanical force and obeys Newton's third law. Moreover, the force is required to be invariant under changes of the energy and entropy gauges. The gauge-invariant force thus defined is found to account for ordinary diffusion and barodiffusion, but not for thermodiffusion. The force driving thermodiffusion arises from Onsager's reciprocity theorem in non-equilibrium thermodynamics: it is shown to be proportional to the covariance of enthalpy and velocity. In case that intermolecular collisions are elastic, an explicit kinetic expression is given of the force driving thermodiffusion; it involves the interaction cross-section of the two components and the mean-free-path function of the liquid mixture. That expression is equivalent to, but much simpler than, the Chapman-Enskog result in gaseous mixtures, and it qualitatively accounts for observations performed in liquid mixtures. The role of the internal degrees of freedom of the molecules is brought out. Finally, two pragmatic rules for devising models of thermodiffusion are enunciated.

  8. The friction and wear of metals and binary alloys in contact with an abrasive grit of single-crystal silicon carbide

    Science.gov (United States)

    Miyoshi, K.; Buckley, D. H.

    1979-01-01

    Sliding friction experiments were conducted with various metals and iron-base binary alloys (alloying elements Ti, Cr, Mn, Ni, Rh, and W) in contact with single-crystal silicon carbide riders. Results indicate that the coefficient of friction and groove height (corresponding to the wear volume) decrease linearly as the shear strength of the bulk metal increases. The coefficient of friction and groove height generally decrease with an increase in solute content of binary alloys. A separate correlation exists between the solute to iron atomic radius ratio and the decreasing rates of change of coefficient of friction and groove height with increasing solute content. These rates of change are minimum at a solute to iron radius ratio of unity. They increase as the atomic ratio increases or decreases linearly from unity. The correlations indicate that atomic size is an important parameter in controlling friction and wear of alloys.

  9. Surface properties and wetting behavior of liquid Ag-Sb-Sn alloys

    Directory of Open Access Journals (Sweden)

    Sklyarchuk V.

    2012-01-01

    Full Text Available Surface tension and density measurements of liquid Ag-Sb-Sn alloys were carried out over a wide temperature range by using the sessile drop method. The surface tension experimental data were analyzed by the Butler thermodynamic model in the regular solution approximation. The wetting characteristics of these alloys on Cu and Ni substrates have been also determined. The new experimental results were compared with the calculated values as well as with data available in the literature.

  10. A general scheme for the estimation of oxygen binding energies on binary transition metal surface alloys

    DEFF Research Database (Denmark)

    Greeley, Jeffrey Philip; Nørskov, Jens Kehlet

    2005-01-01

    A simple scheme for the estimation of oxygen binding energies on transition metal surface alloys is presented. It is shown that a d-band center model of the alloy surfaces is a convenient and appropriate basis for this scheme; variations in chemical composition, strain effects, and ligand effects...... for the estimation of oxygen binding energies on a wide variety of transition metal alloys. (c) 2005 Elsevier B.V. All rights reserved....

  11. Magnetic Susceptibility of liquid Gd-NM (NM = Cu, Ga, Ge) alloys

    Science.gov (United States)

    Shimakura, Hironori; Tahara, Shuta; Okada, Tatsuya; Ohno, Satoru

    2017-08-01

    For rare earth alloys, the indirect interaction of RKKY is at work between rare-earth atoms. Therefore, the magnetism of them depends on the number of conduction electrons and the distance between rare-earth metals. In this work, to reveal the relationship between the number of conduction electrons and magnetic property of rare earth metal alloys, magnetic susceptibility measurements for liquid Gd-NM (NM = Cu, Ga, Ge) was performed by Faraday method. As the results, it was observed that the sign of paramagnetic Curie temperature of Cu-Gd alloys are positive at all composition, while Ga-Gd and Ge-Gd alloys show negative paramagnetic Curie temperature at certain composition. Moreover, it was indicated when the alloy at certain composition shows highest melting temperature, it has the lowest paramagnetic Curie temperature.

  12. Evaluation of Excess Thermodynamic Parameters in a Binary Liquid Mixture (Cyclohexane + O-Xylene at Different Temperatures

    Directory of Open Access Journals (Sweden)

    K. Narendra

    2010-01-01

    Full Text Available The ultrasonic velocity, density and viscosity in binary liquid mixture cyclohexane with o-xylene have been determined at different temperatures from 303.15 to 318.15 K over the whole composition range. The data have been utilized to estimate the excess adiabatic compressibility (βE, excess volumes (VE, excess intermolecular free length (LfE, excess internal pressure (πE and excess enthalpy (HE at the above temperatures. The excess values have been found to be useful in estimating the strength of the interactions in the liquid mixtures. Analysis of these parameters indicates that there are weak interactions among the components of the binary mixtures.

  13. Solid-Liquid Equilibria for the Binary Mixtures 1,4-Xylene + Ethylbenzene and 1,4-Xylene + Toluene

    DEFF Research Database (Denmark)

    Huyghe, Raphaël; Rasmussen, Peter; Thomsen, Kaj

    2004-01-01

    Solid-liquid equilibrium (SLE) data for the binary mixtures 1,4-xylene + ethylbenzene, and 1,4-xylene + toluene have been measured using differential scanning calorimetry (DSC) in the temperature range from 133.15 K to 293.15 K.......Solid-liquid equilibrium (SLE) data for the binary mixtures 1,4-xylene + ethylbenzene, and 1,4-xylene + toluene have been measured using differential scanning calorimetry (DSC) in the temperature range from 133.15 K to 293.15 K....

  14. Mechanical, thermal, and chemical analyses of the binary system Au-Ti in the development of a dental alloy.

    Science.gov (United States)

    Fischer, J

    2000-12-15

    Investigations in the binary system gold-titanium (Au-Ti) were performed in regard to the development of a universal dental alloy suited for inlays, for the conventional crown and bridge technique, as well as for the ceramic-fused-to-metal technique. With nine alloys with increasing Ti content from 0-10 atom %, microstructure, mechanical properties, thermal properties, and corrosion were determined in the as-cast state and after simulation of ceramic firing. The microstructure shows an increasing formation of a second phase with increasing Ti content, crystallizing dendritically, which, according to the binary phase diagram must be the intermetallic phase TiAu(4). The results of the measurements reveal that with increasing Ti content, hardness, Young's modulus, proof stress, and tensile strength strongly increase in the range of 2-6 atom % Ti and with higher Ti content remain constant. Elongation after fracture decreases with a Ti content above 2 atom %. The coefficient of thermal expansion decreases linearly with increasing Ti content. Thermal distortion decreases exponentially with increasing Ti content. The corrosion test showed an increasing release of Ti with increasing Ti content. Lowest corrosion was observed in the simulated state with intact oxide layer. Appropriate properties for dental application were found in the range of 6.5 at% Ti. Copyright 2000 John Wiley & Sons, Inc.

  15. Evaluation of anti-corrosive lubricating behavior of dicationic ionic liquid coatings for biomedical alloys

    Science.gov (United States)

    Siddiqui, Danyal Alam

    Since their inception, orthopedic implants composed of biomedical alloys have been plagued with failures associated with corrosion and wear processes. Despite current surface treatments and techniques being employed to mitigate corrosion and wear, these failure mechanisms continue to occur as prevalent failure modes. Recently, a novel class of compounds known as ionic liquids has been proposed as a multi-functional coating to protect the surfaces of commercially pure titanium surfaces comprising dental implants. In this study, the goal was to evaluate select formulations of these ionic liquids to serve as anti-corrosive lubricants for titanium and cobalt chromium molybdenum alloys widely used in orthopedic implants. Electrochemical and tribological testing of dicationic imidazolium-based ionic liquids revealed these compounds to be superior candidates as corrosion inhibitors and lubricants of biomedical alloy surfaces.

  16. The use of alloy 117 as a liquid metal current collector

    Science.gov (United States)

    Maribo, David; Sondergaard, Neal

    1987-09-01

    Low melting point, bismuth based alloys are potential replacements for NaK78 as liquid metal slip ring material because of their lower reactivity and potentially greater hydrodynamic stability. This paper describes experiments with one such alloy in a model of a 300 kW superconducting homopolar motor using close clearance braid type collectors. Slip ring tip velocities varied from 5 to 20 m/s and currents ranging from 500 to 2000 A. Viscous power losses tend to follow a simple turbulent mode. In all, the data supports the use of low melting point alloys as an alternative to Na78.

  17. Transient liquid phase bonding of titanium-, iron- and nickel-based alloys

    Science.gov (United States)

    Rahman, A. H. M. Esfakur

    The operating temperature of land-based gas turbines and jet engines are ever-increasing to increase the efficiency, decrease the emissions and minimize the cost. Within the engines, complex-shaped parts experience extreme temperature, fatigue and corrosion conditions. Ti-based, Ni-based and Fe-based alloys are commonly used in gas turbines and jet engines depending on the temperatures of different sections. Although those alloys have superior mechanical, high temperature and corrosion properties, severe operating conditions cause fast degradation and failure of the components. Repair of these components could reduce lifecycle costs. Unfortunately, conventional fusion welding is not very attractive, because Ti reacts very easily with oxygen and nitrogen at high temperatures, Ni-based superalloys show heat affected zone (HAZ) cracking, and stainless steels show intergranular corrosion and knife-line attack. On the other hand, transient liquid phase (TLP) bonding method has been considered as preferred joining method for those types of alloys. During the initial phase of the current work commercially pure Ti, Fe and Ni were diffusion bonded using commercially available interlayer materials. Commercially pure Ti (Ti-grade 2) has been diffusion bonded using silver and copper interlayers and without any interlayer. With a silver (Ag) interlayer, different intermetallics (AgTi, AgTi2) appeared in the joint centerline microstructure. While with a Cu interlayer eutectic mixtures and Ti-Cu solid solutions appeared in the joint centerline. The maximum tensile strengths achieved were 160 MPa, 502 MPa, and 382 MPa when Ag, Cu and no interlayers were used, respectively. Commercially pure Fe (cp-Fe) was diffusion bonded using Cu (25 m) and Au-12Ge eutectic interlayer (100 microm). Cu diffused predominantly along austenite grain boundaries in all bonding conditions. Residual interlayers appeared at lower bonding temperature and time, however, voids were observed in the joint

  18. Electronic structure of liquid iron alloys with manganese, chromium, and vanadium

    Science.gov (United States)

    Kudryavtseva, E. D.; Singer, V. V.; Radovskii, I. Z.; Dovgopol, S. P.; Vorontsov, B. S.; Gel'D, P. V.

    1983-01-01

    Electrical resistivity of liquid FeCr, FeV, and FeMn alloys has been measured in the concentration range between 0 and 70% (by weight) of the dopping element, and over the temperature interval from tmelting to 1750°C. Using the Faber-Ziman-Evans method, concentration dependences of the electrical resistivity of liquid FeCr, FeV, and FeMn alloys have been calculated. Concentration dependences of the number of electrons per atom have been estimated.

  19. Relationship between the types of binary alloy phase diagrams of VIII and IB group elements and the Mendeleev numbers

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The relationship between the types of binary alloy phase diagrams of Vlll and IB group elements and the Men deleev numbers was discussed for the first time using the Vlll and IB group elements as solvent metals (A) and the other elements as solute metals (B), basesd on their alloy phase diagram types. The Mendeleev numbers of the solvent metals and the solute metals were expressed as Ma and MB, respectively. A two-dimension map of MdMB was drawn. It is indicated that there is an oblique line in the map, which divides the binary alloy phase diagram types of solvent metals into two symmetry parts, the phase diagram types of the other elements with solvent metals located at the above or down of the line respectively, while on the line, AM= 0. The phase diagrams between the solvent metals basically are simple systems, mainly belong to the types of continues solid solution and the peritectic (about 40% for each type). The solvent metals can be divided into three groups: Co, Ir, Rh, Ni, Pt, and Pd as the first group; Ag, Au, and Cu as the second group;and Fe, Os, and Ru as the third group. The characteristics of the phase diagrams formed between the elements in each group were discussed. About 80% phase diagrams belong to complex systems and less than 20% belong to the simple systems. The regular variation of the chemical scale, the metallic radii of the atoms, the number of valence electrons, and the first ionization energy with the Mendeleev numbers and the crystal structure were introduced as well.

  20. Density functional theory of gas-liquid phase separation in dilute binary mixtures

    Science.gov (United States)

    Okamoto, Ryuichi; Onuki, Akira

    2016-06-01

    We examine statics and dynamics of phase-separated states of dilute binary mixtures using density functional theory. In our systems, the difference of the solvation chemical potential between liquid and gas Δ {μ\\text{s}} (the Gibbs energy of transfer) is considerably larger than the thermal energy {{k}\\text{B}}T for each solute particle and the attractive interaction among the solute particles is weaker than that among the solvent particles. In these conditions, the saturated vapor pressure increases by {{k}\\text{B}}Tn2\\ell\\exp ≤ft(Δ {μ\\text{s}}/{{k}\\text{B}}T\\right) , where n2\\ell is the solute density added in liquid. For \\exp ≤ft(Δ {μ\\text{s}}/{{k}\\text{B}}T\\right)\\gg 1 , phase separation is induced at low solute densities in liquid and the new phase remains in gaseous states, even when the liquid pressure is outside the coexistence curve of the solvent. This explains the widely observed formation of stable nanobubbles in ambient water with a dissolved gas. We calculate the density and stress profiles across planar and spherical interfaces, where the surface tension decreases with increasing interfacial solute adsorption. We realize stable solute-rich bubbles with radius about 30 nm, which minimize the free energy functional. We then study dynamics around such a bubble after a decompression of the surrounding liquid, where the bubble undergoes a damped oscillation. In addition, we present some exact and approximate expressions for the surface tension and the interfacial stress tensor.

  1. Chemical short range order and magnetic correction in liquid manganese-gallium zero alloy

    Science.gov (United States)

    Grosdidier, B.; Ben Abdellah, A.; Osman, S. M.; Ataati, J.; Gasser, J. G.

    2015-12-01

    The Mn66Ga34 alloy at this particular composition is known to be zero alloy in which the linear combination of the two neutron scattering lengths weighted by the atomic compositions vanish. Thus for this specific concentration, the effect of the partial structure factors SNN and SNC is cancelled by a weighted term, which value is zero. Then the measured total structure factor S(q) gives directly the concentration-concentration structure factor SCC(q). We present here the first experimental results of neutron diffraction on the Mn66Ga34 "null matrix alloy" at 1050 °C. The main peak of the experimental SCC(q) gives a strong evidence of a hetero-atomic chemical order in this coordinated alloy. This order also appears in real space radial distribution function which is calculated by the Fourier transform of the structure factor. The degree of hetero-coordination is discussed together with other manganese-polyvalent alloys. However manganese also shows abnormal magnetic scattering in the alloy structure factor which must be corrected. This correction gives an experimental information on the mean effective spin of manganese in this liquid alloy. We present the first critical theoretical calculations of the magnetic correction factor in Mn-Ga zero-alloy based on our accurate experimental measurements of SCC(q).

  2. Anomalous temperature dependence of liquid state density for Ni50Ti50 alloy investigated under electrostatic levitation state

    Science.gov (United States)

    Zou, P. F.; Wang, H. P.; Yang, S. J.; Hu, L.; Wei, B.

    2017-08-01

    The density of liquid Ni-Ti alloys were measured by electrostatic levitation technique and the maximum reduced undercooling of ΔT/TL reaches 0.23. Quite different from the linear relationship between density and temperature for liquid Ni45Ti55 and Ni55Ti45 alloys, the density of liquid Ni50Ti50 alloy displays a nonlinear dependence on temperature. Interestingly, the density increasing tendency of liquid Ni50Ti50 alloy rises more rapidly with the decrease of temperature, which results from the more severe shrinking of the distance among atoms at lower temperatures. In addition, the thermal expansion coefficient of liquid Ni50Ti50 alloy increases linearly with the decrease of temperature.

  3. Modeling of Disordered Binary Alloys Under Thermal Forcing: Effect of Nanocrystallite Dissociation on Thermal Expansion of AuCu3

    Science.gov (United States)

    Kim, Y. W.; Cress, R. P.

    2016-11-01

    Disordered binary alloys are modeled as a randomly close-packed assembly of nanocrystallites intermixed with randomly positioned atoms, i.e., glassy-state matter. The nanocrystallite size distribution is measured in a simulated macroscopic medium in two dimensions. We have also defined, and measured, the degree of crystallinity as the probability of a particle being a member of nanocrystallites. Both the distribution function and the degree of crystallinity are found to be determined by alloy composition. When heated, the nanocrystallites become smaller in size due to increasing thermal fluctuation. We have modeled this phenomenon as a case of thermal dissociation by means of the law of mass action. The crystallite size distribution function is computed for AuCu3 as a function of temperature by solving some 12 000 coupled algebraic equations for the alloy. The results show that linear thermal expansion of the specimen has contributions from the temperature dependence of the degree of crystallinity, in addition to respective thermal expansions of the nanocrystallites and glassy-state matter.

  4. Excess molar volumes and isentropic compressibilities of binary liquid mixtures containing n-alkanes at 298.15 K

    Indian Academy of Sciences (India)

    V Vyas; T Nautiyal

    2002-10-01

    Excess molar volumes (E) and deviation in isentropic compressibilities (s) have been investigated from the density and speed of sound measurements of six binary liquid mixtures containing -alkanes over the entire range of composition at 298.15 K. Excess molar volume exhibits inversion in sign in one binary mixture, i.e., n-heptane + n-hexane. Remaining five binary mixtures, n-heptane + toluene, cyclohexane + n-heptane, cyclohexane + n-hexane, toluene + nhexane and n-decane + n-hexane show negative excess molar volumes over the whole composition range. However, the large negative values of excess molar volume becomes dominant in toluene + n-hexane mixture. Deviation in isentropic compressibility is negative over the whole range of composition in the case of all the six binary mixtures. Existence of specific intermolecular interactions in the mixtures has been analyzed in terms of excess molar volume and deviation in isentropic compressibility.

  5. The vapour-liquid equilibria of several binary systems of fluorocarbons and hydrocarbons. Pt. 2

    Energy Technology Data Exchange (ETDEWEB)

    Kramp, S. [Inst. fuer Physikalische Chemie, Univ. Goettingen (Germany); Wagner, H.G. [Inst. fuer Physikalische Chemie, Univ. Goettingen (Germany)

    1995-06-01

    The vapour-liquid equilibria of the binary systems perfluoromethylcyclohexane-pentafluorobenzene, benzene-pentafluorobenzene, benzene-methylperfluorobutanoate and perfluoromethylcyclohexane-methylperfluorobutanoate have been measured at 333.07 K and 343.12 K using a dynamic circulation still of the Sieg-Roeck type. The thermodynamic consistency of the measurements was tested by two different methods. New UNIFAC interaction parameters [1] were calculated for the following groups: ACH-ACF, ACF-CF{sub 2}, CF{sub 2}-COO, ACCH{sub 2}-ACF, ACH-CF{sub 2}. The abbreviations stand for the following increments: ACH = aromatic CH group, ACF = aromatic CF group, CF{sub 2} = aliphatic CF{sub 2} group, COO = ester group and ACCH{sub 2} = side chain CH group. (orig.)

  6. Vapor liquid equilibrium constants through a non-equation of state approach: methane-free aliphatic binary systems

    Energy Technology Data Exchange (ETDEWEB)

    Hsiung, T.H.; Thodos, G.

    1975-06-01

    Northwestern University developed an alternate method to help predict vapor-liquid equilibrium constants without an equation of state by using the fundamental properties associated with the pure-state components and the critical pressure of the mixture. The method consists of developing correlations to help predict K-constants for other aliphatic binary mixtures not containing methane from vapor-liquid equilibrium measurements available in the literature for the 3 binaries of the system ethane-butane-heptane. This approach was tested for 7 other binaries (ethane/n-hexane, propane/i-butane, propane/i-butane, propane/n-pentane, propane/i-pentane, poprane/n-decane, and propylene/i-butane). The K-values obtained displayed good agreement with experimental measurements, especially in the vicinity of the critical point.

  7. Hierarchical opal grating films prepared by slide coating of colloidal dispersions in binary liquid media.

    Science.gov (United States)

    Lee, Wonmok; Kim, Seulgi; Kim, Seulki; Kim, Jin-Ho; Lee, Hyunjung

    2015-02-15

    There are active researches on well ordered opal films due to their possible applications to various photonic devices. A recently developed slide coating method is capable of rapid fabrication of large area opal films from aqueous colloidal dispersion. In the current study, the slide coating of polystyrene colloidal dispersions in water/i-propanol (IPA) binary media is investigated. Under high IPA content in a dispersing medium, resulting opal film showed a deterioration of long range order, as well as a decreased film thickness due to dilution effect. From the binary liquid, the dried opal films exhibited the unprecedented topological groove patterns with varying periodic distances as a function of alcohol contents in the media. The groove patterns were consisted of the hierarchical structures of the terraced opal layers with periodic thickness variations. The origin of the groove patterns was attributed to a shear-induced periodic instability of colloidal concentration within a thin channel during the coating process which was directly converted to a groove patterns in a resulting opal film due to rapid evaporation of liquid. The groove periods of opal films were in the range of 50-500 μm, and the thickness differences between peak and valley of the groove were significantly large enough to be optically distinguishable, such that the coated films can be utilized as the optical grating film to disperse infra-red light. Utilizing a lowered hydrophilicity of water/IPA dispersant, an opal film could be successfully coated on a flexible Mylar film without significant dewetting problem.

  8. Structure and dynamics of binary liquid mixtures near their continuous demixing transitions

    Science.gov (United States)

    Roy, Sutapa; Dietrich, S.; Höfling, Felix

    2016-10-01

    The dynamic and static critical behavior of a family of binary Lennard-Jones liquid mixtures, close to their continuous demixing points (belonging to the so-called model H' dynamic universality class), are studied computationally by combining semi-grand canonical Monte Carlo simulations and large-scale molecular dynamics (MD) simulations, accelerated by graphic processing units (GPU). The symmetric binary liquid mixtures considered cover a variety of densities, a wide range of compressibilities, and various interactions between the unlike particles. The static quantities studied here encompass the bulk phase diagram (including both the binodal and the λ-line), the correlation length, and the concentration susceptibility, of the finite-sized systems above the bulk critical temperature Tc, the compressibility and the pressure at Tc. Concerning the collective transport properties, we focus on the Onsager coefficient and the shear viscosity. The critical power-law singularities of these quantities are analyzed in the mixed phase (above Tc) and non-universal critical amplitudes are extracted. Two universal amplitude ratios are calculated. The first one involves static amplitudes only and agrees well with the expectations for the three-dimensional Ising universality class. The second ratio includes also dynamic critical amplitudes and is related to the Einstein-Kawasaki relation for the interdiffusion constant. Precise estimates of this amplitude ratio are difficult to obtain from MD simulations, but within the error bars our results are compatible with theoretical predictions and experimental values for model H'. Evidence is reported for an inverse proportionality of the pressure and the isothermal compressibility at the demixing transition, upon varying either the number density or the repulsion strength between unlike particles.

  9. ETHANOL, ACETIC ACID, AND WATER ADSORPTION FROM BINARY AND TERNARY LIQUID MIXTURES ON HIGH-SILICA ZEOLITES

    Science.gov (United States)

    Adsorption isotherms were measured for ethanol, acetic acid, and water adsorbed on high-silica ZSM-5 zeolite powder from binary and ternary liquid mixtures at room temperature. Ethanol and water adsorption on two high-silica ZSM-5 zeolites with different aluminum contents and a h...

  10. Segregation of ions at the interface: molecular dynamics studies of the bulk and liquid-vapor interface structure of equimolar binary mixtures of ionic liquids.

    Science.gov (United States)

    Palchowdhury, Sourav; Bhargava, B L

    2015-08-14

    The structures of three different equimolar binary ionic liquid mixtures and their liquid-vapor interface have been studied using atomistic molecular dynamics simulations. Two of these binary mixtures were composed of a common cation 1-n-butyl-3-methylimidazolium and varying anions (chloride and hexafluorophosphate in one of the mixtures and chloride and trifluoromethanesulfonate in the other) and the third binary mixture was composed of a common anion, trifluoromethanesulfonate and two imidazolium cations with ethyl and octyl side chains. Binary mixtures with common cations are found to be homogeneous. The anions are preferentially located near the ring hydrogen atoms due to H-bonding interactions. Segregation of ions is observed at the interface with an enrichment of the liquid-vapor interface layer by longer alkyl chains and bigger anions with a distributed charge. The surface composition is drastically different from that of the bulk composition, with the longer alkyl tail groups and bigger anions populating the outermost layer of the interface. The longer alkyl chains of the cations and trifluoromethanesulfonate anions with a smaller charge density show orientational ordering at the liquid-vapor interface.

  11. Optical and thermodynamic property measurements of liquid metals and alloys

    Science.gov (United States)

    Weber, J. K. Richard; Krishnan, Shankar; Schiffman, Robert A.; Nordine, Paul C.

    Optical properties and spectral emissivities of liquid silicon, titanium, niobium, and zirconium were investigated by HeNe laser polarimetry at λ = 632.8 nm. The metals were of a high purity and, except for zirconium, clean. The more demanding environmental requirements for eliminating oxide or nitride phases from zirconium were not met. Containerless conditions were achieved by electromagnetic levitation and heating. CO2 laser beam heating was also used to extend the temperature range for stable levitation and to heat solid silicon to form the metallic liquid phase. Corrections to previously reported calorimetric measurements of the heat capacity of liquid niobium were derived from the measured temperature dependence of its spectral emissivity. Property measurements were obtained for supercooled liquid silicon and supercooling of liquid zirconium was accomplished. The purification of liquid metals and the extension of this work on liquids to the measurement of thermodynamic properties and phase equilibria are discussed.

  12. On-demand frequency tunability of fluidic antenna implemented with gallium-based liquid metal alloy

    Science.gov (United States)

    Kim, Daeyoung; Doo, Seok Joo; Won, Heong Sup; Lee, Woojin; Jeon, Jinpyo; Chung, Sang Kug; Lee, Gil-Young; Oh, Semyoung; Lee, Jeong-Bong

    2017-04-01

    We investigated frequency tunability of a microfluidic-based antenna using on-demand manipulation of a gallium-based liquid metal alloy. The fluidic antenna was fabricated by polydimethylsiloxane (PDMS) and filled with the gallium-based liquid metal alloy (Galinstan®). It is composed of a digital number "7"-shaped feedline, and a square-shaped and a digital number "6"-shaped patterns, which are all implemented with the liquid metal. The gallium-based liquid metal was adhered to the channel surface due to its viscous oxide layer originating from the gallium oxide forming when it exposed to the air environment. We treated the liquid metal with hydrochloric acid solution to remove the oxide layer on the surface resulting in easy movement of the liquid metal in the channel, as the liquid metal surface has been transformed to be non-wettable. We controlled the physical length of the liquid metal slug filled in feedline with an applied air pressure, resulting in tuning the resonant frequency ranging from 2.2 GHz to 9.3 GHz. The fluidic antenna properties using the liquid metal's electrical conductivity and mobility were characterized by measuring the return loss (S11), and also simulated with CST Microwave Studio.

  13. Liquid-drop formalism and free-energy surfaces in binary homogeneous nucleation theory

    Energy Technology Data Exchange (ETDEWEB)

    Laaksonen, A. [Department of Applied Physics, University of Kuopio, P.O. Box 1627, 70211 Kuopio (Finland)]|[Department of Physics, P.O. Box 9, 00014 University of Helsinki, Helsinki (Finland); McGraw, R. [Department of Applied Science, Brookhaven National Laboratory, Upton, New York 11973 (United States); Vehkamaeki, H. [Department of Physics, P.O. Box 9, 00014 University of Helsinki, Helsinki (Finland)]|[University College London, Department of Physics and Astronomy, Gower Street, London WC1E 6BT (United Kingdom)

    1999-08-01

    Three different derivations of the classical binary nucleation theory are considered in detail. It is shown that the derivation originally presented by Wilemski [J. Chem. Phys. {bold 80}, 1370 (1984)] is consistent with more extensive derivations [Oxtoby and Kashchiev, J. Chem. Phys. {bold 100}, 7665 (1994)]; Debenedetti, {ital Metastable Liquids: Concepts and Principles} (Princeton University Press, Princeton, 1996) if and only if the assumption is made that the surface of tension of the binary nucleus coincides with the dividing surface specified by the surface condition {summation}n{sub si}v{sub li}=0, where the n{sub si} denote surface excess numbers of molecules of species {ital i}, and the v{close_quote}s are partial molecular volumes. From this condition, it follows that (1) the surface tension is curvature independent and (2) that the nucleus volume is V={summation}n{sub li}v{sub li}={summation}g{sub i}v{sub li}, where the n{sub li} are the numbers of molecules in the uniform liquid phase of the droplet model encompassed by the surface of tension, and the g{sub i} are the total molecular occupation numbers contained by the nucleus. We show, furthermore, that the above surface condition leads to explicit formulas for the surface excess numbers n{sub si} in the nucleus. Computations for the ethanol{endash}water system show that the surface number for water molecules (n{sub s,H{sub 2}O}) causes the negative occupation numbers (g{sub H{sub 2}O}) obtained earlier using the classical nucleation theory. The unphysical behavior produced by the classical theory for surface active systems is thus a direct consequence of the assumption of curvature independence of surface tension. Based on the explicit formulas for n{sub si}, we calculate the full free-energy surfaces for binary nucleation in the revised classical theory and compare these with the free-energy surfaces in the Doyle (unrevised classical) theory. Significant differences in nucleus size and composition

  14. Thermal Stability Comparison of Nanocrystalline Fe-Based Binary Alloy Pairs

    Science.gov (United States)

    Clark, B. G.; Hattar, K.; Marshall, M. T.; Chookajorn, T.; Boyce, B. L.; Schuh, C. A.

    2016-06-01

    The widely recognized property improvements of nanocrystalline (NC) materials have generated significant interest; yet, they have been difficult to realize in engineering applications due to the propensity for grain growth in these interface-dominated systems. Although traditional pathways to thermal stabilization can slow the mobility of grain boundaries, recent theories suggest that solute segregation in NC alloys can reduce the grain boundary energy such that thermodynamic stabilization is achieved. Following the predictions of Murdoch et al., here we compare for the first time the thermal stability of a predicted NC stable alloy (Fe-10 at.% Mg) with a predicted non-NC stable alloy (Fe-10 at.% Cu) using the same processing and characterization methodologies. Results show improved thermal stability of the Fe-Mg alloy in comparison with the Fe-Cu, and thermally-evolved microstructures that are consistent with those predicted by Monte Carlo simulations.

  15. Binary platinum alloy electrodes for hydrogen and oxygen evolutions by seawater splitting

    Science.gov (United States)

    Zheng, Jingjing

    2017-08-01

    Hydrogen and oxygen evolutions by seawater splitting are persistent objectives for green energy production. We present here the experimental realization of Ti foil supported PtM (M = Fe, Co, Ni, Pd) alloy electrodes by a cycle voltammetry method for seawater splitting. The preliminary results demonstrate that the resultant Ti supported PtM alloy electrodes are robust in realizing high-efficiency hydrogen evolution reaction (HER) and oxygen evolution reaction (OER), arising from enhanced current density, reduced potential, and good durability. By tuning M species, the Ti supported PtPd alloy electrode displays a maximal efficiency, yielding an onset potential of -52 mV and 690 mV (vs RHE) in HER and OER, respectively. The current densities of Ti supported PtPd electrode are as high as 270 mA cm-2 at 1.32 V (vs RHE) and 590 mA cm-2 at 3.99 V (vs RHE). Moreover, the long-term stability has also been increased by alloying Pt with M. Although the work presented here is far from optimized, the concept of alloying transition metals with Pt can guide us to design highly efficient alloy electrodes for hydrogen and oxygen evolutions from seawater splitting.

  16. GaBi alloy liquid metal ion source for microelectronics research.

    Science.gov (United States)

    Bischoff, L; Pilz, W; Ganetsos, Th; Forbes, R G; Akhmadaliev, Ch

    2007-09-01

    A GaBi alloy liquid metal ion source has been studied. From an analysis of the source mass spectra as a function of emission current, a mechanism is suggested for the production of single- and double-charged ions. There is good agreement with the results of Swanson's investigations of a pure Bi source.

  17. Extended superstructure in Tl-rich liquid Cs-Tl alloys

    NARCIS (Netherlands)

    van der Aart, SA; Verkerk, P; Badyal, YS; van der Lugt, W

    1998-01-01

    The structure factors of liquid caesium-thallium alloys with thallium concentrations of 50 to 85 at. % have been measured by means of neutron diffraction. They exhibit a prepeak which shifts to smaller wave vectors with increasing thallium content. This result is explained using a model in which neu

  18. Neutron diffraction investigation of liquid alkali metal-gallium alloys. Giant cluster formation?

    NARCIS (Netherlands)

    Alvarez, M; Lomba, E; Verkerk, P; van der Aart, SA; Bionducci, M; Mirebeau, [No Value; van der Lugt, W

    Neutron diffraction experiments were performed on the liquid alloys NaGa, NaGa3, KGa3 and CsGa3. The structure factors of KGa3 and CsGa3 display prepeaks at small wavenumbers (0.64 and 0.61 (A) over circle -1, respectively). This may indicate the existence of extremely large aggregates of atoms in

  19. CLUSTERS IN LIQUID K-TL AND CS-TL ALLOYS

    NARCIS (Netherlands)

    VERKERK, P; XU, R; HOWELLS, WS; DEWIJS, GA; VANDERLUGT, W

    1994-01-01

    The structure factors of several liquid K-Tl and Cs-Tl alloys have been measured by means of neutron time-of-flight diffraction at the spallation neutron source ISIS. A large first sharp diffraction peak (FSDP) or prepeak is observed in all measurements at relatively short wave vector, indicating

  20. Trace tritium recovery from the residue of liquid Li17Pb83 alloy

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    The liquid Li17Pb83 alloy is a prominent breeder material for use in a fusion reactor.In the design of an effective tritium extraction system for the liquid lithium lead bubbler of the test blanket module of such a reactor,finding ways to strictly limit the losses of tritium and to minimize radioactive risks is very important.For this purpose,the isotope exchange process has been investigated as a means of trace tritium recovery from a model of the residue from Li17Pb83 alloy.The results indicate that the isotope exchange process is an effective means of tritium recovery from the residue of Li17Pb83 alloy,and the optimum composition of the exchange carrier gas is He + 0.1% D2.The exchange temperature and number of exchange steps are the main factors influencing the efficiency of tritium recovery from the residue.Trace tritium recovery efficiency increases with increasing exchange temperature and number of times of exchange.Tritium recovery efficiency can approach 80% when the residue is treated six times at 823 K.A gas-liquid two-phase contact model to describe the proceeding of tritium release from the liquid Li17Pb83 alloy has been derived on the basis of this experiment.

  1. Neutron diffraction investigation of liquid alkali metal-gallium alloys. Giant cluster formation?

    NARCIS (Netherlands)

    Alvarez, M; Lomba, E; Verkerk, P; van der Aart, SA; Bionducci, M; Mirebeau, [No Value; van der Lugt, W

    2002-01-01

    Neutron diffraction experiments were performed on the liquid alloys NaGa, NaGa3, KGa3 and CsGa3. The structure factors of KGa3 and CsGa3 display prepeaks at small wavenumbers (0.64 and 0.61 (A) over circle -1, respectively). This may indicate the existence of extremely large aggregates of atoms in t

  2. Chemical short range order and magnetic correction in liquid manganese–gallium zero alloy

    Energy Technology Data Exchange (ETDEWEB)

    Grosdidier, B. [Laboratoire de Chimie Physique – Approche Multi-Echelle des Milieux Complexes, Institut Jean Bariol, Université de Lorraine, Institut de Chimie, Physique et Matériaux, 1 Bd Arago, 57078 Metz Cedex 3 (France); Ben Abdellah, A. [Laboratoire de Chimie Physique – Approche Multi-Echelle des Milieux Complexes, Institut Jean Bariol, Université de Lorraine, Institut de Chimie, Physique et Matériaux, 1 Bd Arago, 57078 Metz Cedex 3 (France); Innovation and Management of Industrial Systems, Abdelmalek Essaadi University, College of Sciences and Techniques of Tangier , P.O. Box 416, Postal code 90000, Tangier (Morocco); Université Internationale de Rabat, Parc Technopolis Rabat-Shore, 11100 Sala El Jadida (Morocco); Osman, S.M., E-mail: osm@squ.edu.om [Physics Department, College of Science, Sultan Qaboos University, P.O. Box 36, Postal Code 123, Al-Khod, Muscat (Oman); Ataati, J. [Innovation and Management of Industrial Systems, Abdelmalek Essaadi University, College of Sciences and Techniques of Tangier, P.O. Box 416, Postal code 90000, Tangier (Morocco); Gasser, J.G. [Laboratoire de Chimie Physique – Approche Multi-Echelle des Milieux Complexes, Institut Jean Bariol, Université de Lorraine, Institut de Chimie, Physique et Matériaux, 1 Bd Arago, 57078 Metz Cedex 3 (France)

    2015-12-15

    The Mn{sub 66}Ga{sub 34} alloy at this particular composition is known to be zero alloy in which the linear combination of the two neutron scattering lengths weighted by the atomic compositions vanish. Thus for this specific concentration, the effect of the partial structure factors S{sub NN} and S{sub NC} is cancelled by a weighted term, which value is zero. Then the measured total structure factor S(q) gives directly the concentration–concentration structure factor S{sub CC}(q). We present here the first experimental results of neutron diffraction on the Mn{sub 66}Ga{sub 34} “null matrix alloy” at 1050 °C. The main peak of the experimental S{sub CC}(q) gives a strong evidence of a hetero-atomic chemical order in this coordinated alloy. This order also appears in real space radial distribution function which is calculated by the Fourier transform of the structure factor. The degree of hetero-coordination is discussed together with other manganese-polyvalent alloys. However manganese also shows abnormal magnetic scattering in the alloy structure factor which must be corrected. This correction gives an experimental information on the mean effective spin of manganese in this liquid alloy. We present the first critical theoretical calculations of the magnetic correction factor in Mn–Ga zero-alloy based on our accurate experimental measurements of S{sub CC}(q).

  3. Investigations of binary and ternary phase change alloys for future memory applications

    Energy Technology Data Exchange (ETDEWEB)

    Rausch, Pascal

    2012-09-13

    The understanding of phase change materials is of great importance because it enables us to predict properties and tailor alloys which might be even better suitable to tackle challenges of future memory applications. Within this thesis two topics have been approached: on the one hand the understanding of the alloy In{sub 3}Sb{sub 1}Te{sub 2} and on the other hand the so called resistivity drift of amorphous Ge-Sn-Te phase change materials. The main topic covers an in depth discussion of the ternary alloy In{sub 3}Sb{sub 1}Te{sub 2}. At first glance, this alloy does not fit into the established concepts of phase alloys: e.g. the existence of resonant bonding in the crystalline phase is not obvious and the number of p-electrons is very low compared to other phase change alloys. Furthermore amorphous phase change alloys with high indium content are usually not discussed in literature, an exception being the recent work by Spreafico et al. on InGeTe{sub 2}. For the first time a complete description of In{sub 3}Sb{sub 1}Te{sub 2} alloy is given in this work for the crystalline phase, amorphous phase and crystallization process. In addition comparisons are drawn to typical phase change materials like Ge{sub 2}Sb{sub 2}Te{sub 5}/GeTe or prototype systems like AgInTe{sub 2} and InTe. The second topic of this thesis deals with the issue of resistivity drift, i.e. the increase of resistivity of amorphous phase change alloys with aging. This drift effect greatly hampers the introduction of multilevel phase change memory devices into the market. Recently a systematic decrease of drift coefficient with stoichiometry has been observed in our group going from GeTe over Ge{sub 3}Sn{sub 1}Te{sub 4} to Ge{sub 2}Sn{sub 2}Te{sub 4}. These alloys are investigated with respect to constraint theory.

  4. PHASE EQUILIBRIA FOR BINARY SYSTEMS CONTAINING IONIC LIQUID WITH WATER OR HYDROCARBONS

    Directory of Open Access Journals (Sweden)

    Dheiver Santos

    2015-12-01

    Full Text Available Abstract In this work, the mutual solubilities of sets of ionic liquids ([CnMIM] [TF2N] (n = 4, 8, 12, [C4PY] [TF2N], [C8MIM] [OTF] and organic compounds (heptane, o-xylene, toluene, or water are investigated. The experimental data measured for these systems were used to adjust the binary interaction parameters between their components for the Non-Random Two Liquid (NRTL model. The results showed that the solubility increased with temperature, with high hygroscopicity (10-1 in terms of mole fraction of the ILs, low interactions with aliphatic hydrocarbons, high interactions with aromatic hydrocarbons and the presence of a lower critical solution temperature (LCST. In addition, this study is the first to show that [C12MIM] [TF2N] is completely soluble in toluene and ortho-xylene between 273.15 and 373.15 K at 1 bar. The average deviations related to the mole fraction between the experimental and calculated values by the NRTL were less than 2.4%.

  5. Gels and lyotropic liquid crystals: using an imidazolium-based catanionic surfactant in binary solvents.

    Science.gov (United States)

    Cheng, Ni; Hu, Qiongzheng; Bi, Yanhui; Xu, Wenwen; Gong, Yanjun; Yu, Li

    2014-08-01

    The self-assembly behavior of an imidazolium-based catanionic surfactant, 1-butyl-3-methylimidazolium dodecylsulfate ([C4mim][C12H25SO4]), was investigated in water-ethylammonium nitrate (EAN) mixed solvents with different volume ratios. It is particular interesting that this simple surfactant could not only form lyotropic liquid crystals (LLC) with multimesophases, i.e., normal hexagonal (H1), lamellar liquid crystal (Lα), and reverse bicontinuous cubic phase (V2), in the water-rich environment but also act as an efficient low-molecular-weight gelator (LMWG) which gelated EAN-abundant binary media in a broad concentration range. The peculiar nanodisk cluster morphology of gels composed of similar bilayer units was first observed. FT-IR spectra and density functional theory (DFT) calculations reveal that strong H bonding and electrostatic interactions between EAN and the headgroups of [C4mim][C12H25SO4] are primarily responsible for gelation. The self-assembled gels displayed excellent mechanical strength and a thermoreversible sol-gel transition. It is for the first time that a rich variety of controllable ordered aggregates could be observed only by simply modulating the concentration of a single imidazolium-based catanionic surfactant or the ratio of mixed solvents. This environmentally friendly system is expected to have broad applications in various fields, such as materials science, drug delivery systems, and supramolecular chemistry.

  6. A fully implicit, fully adaptive time and space discretisation method for phase-field simulation of binary alloy solidification

    Science.gov (United States)

    Rosam, J.; Jimack, P. K.; Mullis, A.

    2007-08-01

    A fully implicit numerical method based upon adaptively refined meshes for the simulation of binary alloy solidification in 2D is presented. In addition we combine a second-order fully implicit time discretisation scheme with variable step size control to obtain an adaptive time and space discretisation method. The superiority of this method, compared to widely used fully explicit methods, with respect to CPU time and accuracy, is shown. Due to the high nonlinearity of the governing equations a robust and fast solver for systems of nonlinear algebraic equations is needed to solve the intermediate approximations per time step. We use a nonlinear multigrid solver which shows almost h-independent convergence behaviour.

  7. Two-dimensional phase-field study of competitive grain growth during directional solidification of polycrystalline binary alloy

    Science.gov (United States)

    Takaki, Tomohiro; Ohno, Munekazu; Shibuta, Yasushi; Sakane, Shinji; Shimokawabe, Takashi; Aoki, Takayuki

    2016-05-01

    Selections of growing crystals during directional solidification of a polycrystalline binary alloy were numerically investigated using two-dimensional phase-field simulations. To accelerate the simulations, parallel graphics processing unit (GPU) simulations were performed using the GPU-rich supercomputer TSUBAME2.5 at the Tokyo Institute of Technology. Twenty simulations with a combination of five sets of different seed orientation distributions and four different temperature gradients covering dendritic and cellular growth regions were performed. The unusual grain selection phenomenon, in which the unfavorably oriented grains preferentially grow instead of the favorably oriented grains, was observed frequently. The unusual selection was more remarkable in the cellular structure than in the dendritic structure.

  8. Effects of temperature boundary conditions on equiaxed dendritic growth in phase-field simulations of binary alloy

    Institute of Scientific and Technical Information of China (English)

    于艳梅; 杨根仓; 赵达文; 吕衣礼

    2002-01-01

    By the phase-field approach, the dendritic growth in binary alloy melt was simulated respectively using two types of temperature boundary conditions, i.e., the constant temperature boundary by which the boundary temperature was fixed at the initial temperature, and Zero-Neumann temperature boundary. The influences of the temperature boundary conditions on numerical results are investigated. How to choose appropriate temperature boundary conditions is proposed. The results show that: 1) when the computation region is limited to a changeless size, the Zero-Neumann and constant temperature boundary conditions lead to the different dendritic growth behaviors, and the Zero-Neumann condition is preferable to the constant temperature condition; 2) when the computation region is enlarged continually with the computational time according to the increasing thermal diffusion scale, the two types of temperature boundary conditions achieve the consistent tip velocities and tip radii, and they both are appropriate choices.

  9. Phase equilibria study of the binary systems (N-hexylisoquinolinium thiocyanate ionic liquid + organic solvent or water).

    Science.gov (United States)

    Królikowska, Marta; Karpińska, Monika; Zawadzki, Maciej

    2012-04-12

    Liquid-liquid phase equilibria (LLE) of binary mixtures containing a room-temperature ionic liquid N-hexylisoquinolinium thiocyanate, [HiQuin][SCN] with an aliphatic hydrocarbon (n-hexane, n-heptane), aromatic hydrocarbon (benzene, toluene, ethylbenzene, n-propylbenzene), cyclohexane, thiophene, water, and 1-alcohol (1-ethanol, 1-butanol, 1-hexanol, 1-octanol, 1-decanol) have been determined using a dynamic method from room temperature to the boiling-point of the solvent at ambient pressure. N-hexylisoquinolinium thiocyanate, [HiQuin][SCN] has been synthesized from N-hexyl-isoquinolinium bromide as a substrate. Specific basic characterization of the new compound including NMR spectra, elementary analysis, and water content have been done. The density and viscosity of pure ionic liquid were determined over a wide temperature range from 298.15 to 348.15 K. The mutual immiscibility with an upper critical solution temperature (UCST) for the binary systems {IL + aliphatic hydrocarbon, cyclohexane, or water} was detected. In the systems of {IL + aromatic hydrocarbon or thiophene} an immiscibility gap with a lower critical solution temperature (LCST) was observed. Complete miscibility in the liquid phase, over a whole range of ionic liquid mole fraction, was observed for the binary mixtures containing IL and an 1-alcohol. For the tested binary systems with immiscibility gap {IL + aliphatic hydrocarbon, aromatic hydrocarbon, cyclohexane, thiophene, or water}, the parameters of the LLE correlation have been derived using the NRTL equation. The basic thermal properties of the pure IL, that is, the glass-transition temperature as well as the heat capacity at the glass-transition temperature, have been measured using a differential scanning microcalorimetry technique (DSC). Decomposition of the IL was detected by simultaneous thermogravimetric/differential thermal analysis (TG/DTA) experiments.

  10. Microstructural and mechanical properties of binary Ni–Si eutectic alloys

    Energy Technology Data Exchange (ETDEWEB)

    Gogebakan, Musa, E-mail: gogebakan@ksu.edu.tr [Department of Physics, Faculty of Art and Sciences, Kahramanmaras Sutcu Imam University, Kahramanmaras 46100 (Turkey); Kursun, Celal [Department of Physics, Faculty of Art and Sciences, Kahramanmaras Sutcu Imam University, Kahramanmaras 46100 (Turkey); Gunduz, Kerem Ozgur; Tarakci, Mehmet; Gencer, Yucel [Department of Materials Science and Engineering, Gebze Institute of Technology, Gebze, 41400 Kocaeli (Turkey)

    2015-09-15

    Highlights: • Ni{sub 80}Si{sub 20}, Ni{sub 70}Si{sub 30}, Ni{sub 55}Si{sub 45} and Ni{sub 45}Si{sub 55} were prepared by arc melting method. • The maximum microhardness value of 1126 HV obtained for Ni{sub 70}Si{sub 30} alloy. • The microhardness values decreases with increase of Si/Ni ratio. • Ni{sub 80}Si{sub 20} and Ni{sub 55}Si{sub 45} are soft ferromagnetic, Ni{sub 70}Si{sub 30} and Ni{sub 45}Si{sub 55} are paramagnetic. - Abstract: In the present work, Ni–Si eutectic alloys with nominal compositions of Ni{sub 80}Si{sub 20}, Ni{sub 70}Si{sub 30}, Ni{sub 55}Si{sub 45} and Ni{sub 45}Si{sub 55} (Ni and Si with the purity of 99.99%) were prepared by arc melting method under vacuum/argon atmosphere. The effects of Si/Ni ratio on the microstructural properties, thermal transformation behavior, micro-hardness and magnetic properties of the Ni–Si eutectic alloys were investigated. These alloys were characterized by X-ray diffraction (XRD), optical microscopy (OM), scanning electron microscopy (SEM), differential thermal analysis (DTA), Vickers microhardness measurement and Vibrating Sample Magnetometer (VSM). The phases expected according to Ni–Si phase diagram for conventional solidified eutectic Ni–Si alloys are considerably consistent with phase detected by XRD in this study. The quantitative results confirm that the chemical composition of the alloys very close to eutectic compositions and the microstructures are in typical lamellar eutectic morphology. The maximum microhardness value of 1126 HV obtained for Ni{sub 70}Si{sub 30} alloy which has highest melting temperature amongst Ni–Si eutectics. The microhardness values decreases with increase of Si/Ni ratio. Ni{sub 80}Si{sub 20} and Ni{sub 55}Si{sub 45} alloys are soft ferromagnetic, Ni{sub 70}Si{sub 30} and Ni{sub 45}Si{sub 55} alloys are paramagnetic with no magnetic saturation.

  11. Stokes shift dynamics in (non-dipolar ionic liquid + dipolar solvent) binary mixtures: A semi-molecular theory

    Science.gov (United States)

    Pal, Tamisra; Biswas, Ranjit

    2014-10-01

    A semi-molecular theory for studying composition dependent Stokes shift dynamics of a dipolar solute in binary mixtures of (non-dipolar ionic liquid + common dipolar solvent) is developed here. The theory provides microscopic expressions for solvation response functions in terms of static and dynamic structure factors of the mixture components and solute-solvent static correlations. In addition, the theory provides a framework for examining the interrelationship between the time dependent solvation response in and frequency dependent dielectric relaxation of a binary mixture containing electrolyte. Subsequently, the theory has been applied to predict ionic liquid (IL) mole fraction dependent dynamic Stokes shift magnitude and solvation energy relaxation for a dipolar solute, C153, in binary mixtures of an ionic liquid, trihexyltetradecylphosphonium chloride ([P14,666][Cl]) with a common dipolar solvent, methanol (MeOH). In the absence of suitable experimental data, necessary input parameters have been obtained from approximate methods. Dynamic shifts calculated for these mixtures exhibit a linear increase with IL mole fraction for the most part of the mixture composition, stressing the importance of solute-IL dipole-ion interaction. Average solvation rates, on the other hand, show a nonlinear IL mole fraction dependence which is qualitatively similar to what has been observed for such binary mixtures with imidazolium (dipolar) ILs. These predictions should be re-examined in suitable experiments.

  12. Non-equilibrium crystalline superconductors in Zr-Si binary alloys rapidly quenched from melts

    Energy Technology Data Exchange (ETDEWEB)

    Inoue, A.; Takahashi, Y.; Toyota, N.; Fukase, T.; Masumoto, T. (Tohoku Univ., Sendai (Japan). Research Inst. for Iron, Steel and Other Metals)

    1982-08-01

    The new non-equilibrium superconductor with a bcc structure has been found in rapidly quenched Zr-Si alloys. The silicon content in the bcc alloys was limited to the narrow range between 8 and 11 at%. The bcc alloys showed a superconducting transition whose temperature increased from 3.20 to 3.84 K with decreasing silicon content. The upper critical magnetic field and the critical current density for Zr/sub 92/Si/sub 8/ alloy were of the order of 3.58 x 10/sup 6/ Am/sup -1/ at 2.0 K and 3.3 x 10/sup 6/ Am/sup -2/ at 2.42 K in the absence of an applied field. The upper critical field gradient at the transition temperature and the electrical resistivity at 4.2 K were about -1.82 x 10/sup 6/ Am/sup -1/ K/sup -1/ and about 150 ..mu cap omega.. cm. The Ginzburg-Landau parameter and coherence length were estimated to be about 65 and 6.3 nm, respectively, from these experimental values by using the Ginzburg-Landau-Abrikosov-Gorkov theory and hence it is concluded that the present bcc alloys are extremely 'soft' type-II superconductors with a high degree of dirtiness.

  13. The liquid phase separation of Bi-Ga hypermonotectic alloy under acoustic levitation condition

    Institute of Scientific and Technical Information of China (English)

    HONG ZhenYu; L(U) YongJun; XIE WenJun; WEI BingBo

    2007-01-01

    Containerless treatment of Bi-58.5at%Ga hypermonotectic alloy is successfully performed with acoustic levitation technique. Under acoustic levitation condition, the second phase (Ga) distributes almost homogeneously in solidification sample, opposite to macrosegregation in solidification sample under conventional condition. Stokes motion of the second liquid droplet (Ga) is significantly restrained under acoustic levitation condition. The analyses indicate that the melt vibration in the gravity direction forced by acoustic field can induce steady flow around the second liquid droplet, which influences droplet shape during its moving upward and consequently restrains Stokes motion velocity of the second liquid droplet.

  14. Measurement and modeling of high-pressure (vapor + liquid) equilibria of (CO{sub 2} + alkanol) binary systems

    Energy Technology Data Exchange (ETDEWEB)

    Bejarano, Arturo; Gutierrez, Jorge E. [Departamento de Ingenieria Quimica y Ambiental, Universidad Tecnica Federico Santa Maria, Avda. Espana 1680, Valparaiso (Chile); Araus, Karina A. [Departamento de Ingenieria Quimica y Bioprocesos, Pontificia Universidad Catolica de Chile, Avda. Vicuna Mackenna 4860, Macul, Santiago (Chile); Fuente, Juan C. de la, E-mail: juan.delafuente@usm.c [Departamento de Ingenieria Quimica y Ambiental, Universidad Tecnica Federico Santa Maria, Avda. Espana 1680, Valparaiso (Chile); Centro Regional de Estudios en Alimentos Saludables, Blanco 1623, Valparaiso (Chile)

    2011-05-15

    Research highlights: (Vapor + liquid) equilibria of three (CO{sub 2} + C{sub 5} alcohol) binary systems were measured. Complementary data are reported at (313, 323 and 333) K and from (2 to 11) MPa. No liquid immiscibility was observed at the temperatures and pressures studied. Experimental data were correlated with the PR-EoS and the van de Waals mixing rules. Correlation results showed relative deviations {<=}8 % (liquid) and {<=}2 % (vapor). - Abstract: Complementary isothermal (vapor + liquid) equilibria data are reported for the (CO{sub 2} + 3-methyl-2-butanol), (CO{sub 2} + 2-pentanol), and (CO{sub 2} + 3-pentanol) binary systems at temperatures of (313, 323, and 333) K, and at pressure range of (2 to 11) MPa. For all (CO{sub 2} + alcohol) systems, it was visually monitored that there was no liquid immiscibility at the temperatures and pressures studied. The experimental data were correlated with the Peng-Robinson equation of state using the quadratic mixing rules of van der Waals with two adjustable parameters. The calculated (vapor + liquid) equilibria compositions were found to be in good agreement with the experimental data with deviations for the mole fractions <8% and <2% for the liquid and vapor phase, respectively.

  15. Tape transfer atomization patterning of liquid alloys for microfluidic stretchable wireless power transfer.

    Science.gov (United States)

    Jeong, Seung Hee; Hjort, Klas; Wu, Zhigang

    2015-02-12

    Stretchable electronics offers unsurpassed mechanical compliance on complex or soft surfaces like the human skin and organs. To fully exploit this great advantage, an autonomous system with a self-powered energy source has been sought for. Here, we present a new technology to pattern liquid alloys on soft substrates, targeting at fabrication of a hybrid-integrated power source in microfluidic stretchable electronics. By atomized spraying of a liquid alloy onto a soft surface with a tape transferred adhesive mask, a universal fabrication process is provided for high quality patterns of liquid conductors in a meter scale. With the developed multilayer fabrication technique, a microfluidic stretchable wireless power transfer device with an integrated LED was demonstrated, which could survive cycling between 0% and 25% strain over 1,000 times.

  16. Numerical analysis of phase decomposition in A-B binary alloys using Cahn-Hilliard equations

    Directory of Open Access Journals (Sweden)

    Susana Lezama-Alvarez

    2013-01-01

    Full Text Available The analysis of phase decomposition was carried out using the nonlinear and linear Cahn-Hilliard equations in a hypothetical A-B alloy system with a miscibility gap. These equations were solved by the explicit finite difference method assuming a regular solution model. The supersaturated solid solution and decomposed phases were considered to have an fcc structure. Different aging temperatures and thermodynamic interaction parameters ΩA-B were used to simulate different alloy systems. The numerical simulation results showed that the growth kinetics of phase decomposition in the alloy with 30at.% A was slower than that of 50 at.% A. Additionally, the start time and modulation wavelength of phase decomposition are strongly affected by the thermodynamic interaction parameter ΩA-B value. The numerical simulation results showed that the growth kinetics of phase decomposition with the linear equation is slower than that with the nonlinear one.

  17. Microstructure formation in binary Al-TM alloys under non-equilibrium solidification

    Energy Technology Data Exchange (ETDEWEB)

    Beresina, A L; Kurdyumov, G V [Institute for Metal Physics, 36, Vernadsky Blvd, Kyiv-142 (Ukraine); Segida, E A, E-mail: slena54@yahoo.co

    2009-01-01

    The structure formation in hypereutectic Al-Sc and hyperperitectic Al-Zr, Al-Hf alloys with concentration of alloying element up to 1.3 at.% have been studied under conditions far from thermodynamical equilibrium depending on cooling rate and quenching temperature. The co-operative growth structures are solidified with cooling rate of 10{sup 2}-10{sup 3} K/s regardless of overheating and under cooling rate of 10{sup 5}-10{sup 6} K/s at small overheating. The phase compound of these structures is alpha-solid solutions and phase with L1{sub 2}-ordered structure or two solid solutions with different concentrations of alloying element. The large overheating leads to formation of alpha-solid solution anomalously supersaturated under cooling rate of 10{sup 5}-10{sup 6} K/s.

  18. Order Parameter Profile in AN Adsorbed Binary Liquid Mixture Near Criticality.

    Science.gov (United States)

    Schlossman, Mark Loren

    Adsorption of a binary liquid mixture near criticality onto a solid glass substrate can be studied using light reflected off the glass/liquid boundary. In Part 1, reflectivity data analyzed with a modified Landau-Ginzburg theory using a contact wall interaction are shown to be consistent with an exponential decay of the order parameter into the bulk. This analysis provides a measure of h_{1 }, the effective glass/liquid interaction strength. The reflectivity can also be expressed as an expansion in the moments of the order parameter profile. For the data presented and an exponential profile the expansion can be truncated at the first order moment, M_{1} . We assume an exponential form of the profile to express the zeroth moment as a function of M _{1}. The first moment is fitted as a power law in t, the reduced temperature. Analysis of these data yields an exponent p = 0.88 +/- 0.10 that is consistent with the prediction p = 2nu - beta from the scaling law of Fisher and de Gennes. To further explore the profile an AC ellipsometer which used a photoelastic modulator was constructed. An unusual thermostat without traditional windows allowed the angle of incidence at the glass/liquid boundary to be varied over a large range. This allowed a large region in k -space to be explored, where k is twice the transmitted momentum wave vector perpendicular to the glass/liquid boundary. Excellent temperature control (0.1 mK/several hours) allowed the quantity kxi to be as large as kxi cong 15, where xi is the bulk correlation length. This should have allowed us to explore the power law region of the profile. During the investigation of the adsorption, certain anomalous data far above T _{c} (the critical temperature) were discovered. Temperature dependent hysteresis and very long equilibration times characterize the data. Until resolved, these features restrict progress in understanding the data closer to T_{c}. The data remain unexplained and are discussed, along with the

  19. Cytocompatibility of pure metals and experimental binary titanium alloys for implant materials.

    Science.gov (United States)

    Park, Yeong-Joon; Song, Yo-Han; An, Ji-Hae; Song, Ho-Jun; Anusavice, Kenneth J

    2013-12-01

    This study was performed to evaluate the biocompatibility of nine types of pure metal ingots (Ag, Al, Cr, Cu, Mn, Mo, Nb, V, Zr) and 36 experimental titanium (Ti) alloys containing 5, 10, 15, and 20 wt% of each alloying element. The cell viabilities for each test group were compared with that of CP-Ti using the WST-1 test and agar overlay test. The ranking of pure metal cytotoxicity from most potent to least potent was as follows: Cu>Al>Ag>V>Mn>Cr>Zr>Nb>Mo>CP-Ti. The mean cell viabilities for pure Cu, Al, Ag, V, and Mn were 21.6%, 25.3%, 31.7%, 31.7%, and 32.7%, respectively, which were significantly lower than that for the control group (p<0.05). The mean cell viabilities for pure Zr and Cr were 74.1% and 60.6%, respectively (p<0.05). Pure Mo and Nb demonstrated good biocompatibility with mean cell viabilities of 93.3% and 93.0%, respectively. The mean cell viabilities for all the Ti-based alloy groups were higher than 80% except for Ti-20 Nb (79.6%) and Ti-10 V (66.9%). The Ti-10 Nb alloy exhibited the highest cell viability (124.8%), which was higher than that of CP-Ti. Based on agar overlay test, pure Ag, Cr, Cu, Mn, and V were ranked as 'moderately cytotoxic', whereas the rest of the tested pure metals and all Ti alloys, except Ti-10 V (mild cytotoxicity), were ranked as 'noncytotoxic'. The results obtained in this study can serve as a guide for the development of new Ti-based alloy implant systems. Copyright © 2013 Elsevier Ltd. All rights reserved.

  20. Measurement and Analysis of Density of Molten Ni-W Alloys

    Institute of Scientific and Technical Information of China (English)

    FANG Liang; XIAO Feng; TAO Zainan; MuKai Kusuhiro

    2005-01-01

    The density of molten Ni-W alloys was measured with a modified pycnometric method. It is found that the density of the molten Ni- W alloys decreases with temperature rising, but increases with the increase of tungsten concentration in the alloys. The molar volume of molten Ni- W binary alloys increases with the increase of temperature and tungsten concentration. The partial molar volume of tungsten in liquid Ni- W binary alloy has been calculated approximately as ( - 1.59+ 5.64 × 10-3 T) × 10-6m3 ·mol-1.

  1. Extended solid solubility for Al-W binary system by mechanical alloying

    Institute of Scientific and Technical Information of China (English)

    欧阳义芳; 钟夏平; 吴伟明

    2000-01-01

    Al1-xWX( x = 0.1, 0.2, 0.5, 0.9) powders have been prepared by mechanical alloying of the elements in a planetary ball mill. The structure and morphology of the milled powders were investigated using X-ray diffraction and electron microscopy. The solubility of Al in W is greatly extended, even more than 50% . The results are analyzed using embedded atom method (EAM) according to the scheme of mechanical alloying extending solid solubility. The theoretical results are in good agreement with the experimental.

  2. Extended solid solubility for Al-W binary system by mechanical alloying

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Al1-xWx (x=0.1, 0.2, 0.5, 0.9) powders have been prepared by mechanical alloying of the elements in a planetary ball mill. The structure and morphology of the milled powders were investigated using X-ray diffraction and electron microscopy. The solubility of Al in W is greatly extended, even more than 50%. The results are analyzed using embedded atom method (EAM) according to the scheme of mechanical alloying extending solid solubility. The theoretical results are in good agreement with the experimental.

  3. Primary radiation damage of Zr-0.5%Nb binary alloy: atomistic simulation by molecular dynamics method

    Science.gov (United States)

    Tikhonchev, M.; Svetukhin, V.; Kapustin, P.

    2017-09-01

    Ab initio calculations predict high positive binding energy (˜1 eV) between niobium atoms and self-interstitial configurations in hcp zirconium. It allows the expectation of increased niobium fraction in self-interstitials formed under neutron irradiation in atomic displacement cascades. In this paper, we report the results of molecular dynamics simulation of atomic displacement cascades in Zr-0.5%Nb binary alloy and pure Zr at the temperature of 300 K. Two sets of n-body interatomic potentials have been used for the Zr-Nb system. We consider a cascade energy range of 2-20 keV. Calculations show close estimations of the average number of produced Frenkel pairs in the alloy and pure Zr. A high fraction of Nb is observed in the self-interstitial configurations. Nb is mainly detected in single self-interstitial configurations, where its fraction reaches tens of percent, i.e. more than its tenfold concentration in the matrix. The basic mechanism of this phenomenon is the trapping of mobile self-interstitial configurations by niobium. The diffusion of pure zirconium and mixed zirconium-niobium self-interstitial configurations in the zirconium matrix at 300 K has been simulated. We observe a strong dependence of the estimated diffusion coefficients and fractions of Nb in self-interstitials produced in displacement cascades on the potential.

  4. Nanoassembly of Polydisperse Photonic Crystals based on Binary and Ternary Polymer Opal Alloys

    CERN Document Server

    Zhao, Qibin; Schafer, Christian; Spahn, Peter; Gallei, Markus; Herrmann, Lars; Petukhov, Andrei; Baumberg, Jeremy J

    2016-01-01

    Ordered binary and ternary photonic crystals, composed of different sized polymer-composite spheres with diameter ratios up to 120%, are generated using bending induced oscillatory shearing (BIOS). This viscoelastic system creates polydisperse equilibrium structures, producing mixed opaline colored films with greatly reduced requirements for particle monodispersity, and very different sphere size ratios, compared to other methods of nano-assembly.

  5. Electrolytic preparation of Al-Ca master alloy on liquid Al cathode

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    As a newly developing superplastic aluminum alloy, Al-Ca alloy has been widely used in industry, however thetechnology for preparing Al-Ca master alloy and its influencing factors need to be further studied. Therefore the Al-Camaster alloy was prepared by using liquid aluminum cathode and a mixture of 80%CaC12-18% KC1-2%CaF2 as the moltensalt electrolysis in a laboratory electrolyte cell; the effects of electrolysis temperature, cathodic current density and electrolytic duration on current efficiency and Ca content of Al-Ca alloy as well were studied. Through laboratory experiments, the parameters for smooth electrolytic reaction were proposed. The proper electrolysis technology is as follows:with the 80%CaCl2-18%KCl-2%CaF2 electrolyte, the electrolytic temperature is 973 K and the cathodic current densityis 0.8 A/cm2, the electrolysis can go on smoothly and a calcium content of 17.5%(mass fraction) can be obtained. Withthe increase of electrolysis duration, the calcium content in the alloy increasas whereas the current efficiency decreases

  6. Solid-liquid phase equilibria of Fe-Cr-Al alloys and spinels

    Science.gov (United States)

    McMurray, J. W.; Hu, R.; Ushakov, S. V.; Shin, D.; Pint, B. A.; Terrani, K. A.; Navrotsky, A.

    2017-08-01

    Ferritic FeCrAl alloys are candidate accident tolerant cladding materials. There is a paucity of data concerning the melting behavior for FeCrAl and its oxides. Analysis tools have therefore had to utilize assumptions for simulations using FeCrAl cladding. The focus of this study is to examine in some detail the solid-liquid phase equilibria of FeCrAl alloys and spinels with the aim of improving the accuracy of severe accident scenario computational studies.

  7. PROCESS FOR DISSOLVING BINARY URANIUM-ZIRCONIUM OR ZIRCONIUM-BASE ALLOYS

    Science.gov (United States)

    Jonke, A.A.; Barghusen, J.J.; Levitz, N.M.

    1962-08-14

    A process of dissolving uranium-- zirconium and zircaloy alloys, e.g. jackets of fuel elements, with an anhydrous hydrogen fluoride containing from 10 to 32% by weight of hydrogen chloride at between 400 and 450 deg C., preferably while in contact with a fluidized inert powder, such as calcium fluoride is described. (AEC)

  8. Bulk and surface properties of demixing liquid Al-Sn and Sn-Tl alloys

    Science.gov (United States)

    Odusote, Y. A.; Popoola, A. I.; Oluyamo, S. S.

    2016-02-01

    The energetics of mixing in Al-Sn and Sn-Tl-segregating binary alloys has been explained through the study of surface properties (surface concentrations and surface tension) and various concentration-dependent thermodynamic (free energy of mixing, entropy of mixing and enthalpy of mixing) and transport (chemical diffusion) properties as well as the microscopic functions (concentration fluctuations in the long-wavelength limits and chemical short-range order parameter) using a statistical mechanical theory in conjunction with the self-association model (SAM). The theoretical property values obtained by the SAM were compared to the corresponding experimental values available in literature.

  9. Surface tension of liquid Au-Bi-Sn alloys

    Institute of Scientific and Technical Information of China (English)

    2012-01-01

    The surface tension of a promising lead-free solder Au-Bi-Sn alloys was investigated both by the sessile-drop method and calculation. Experimental measurements were carried out for two cross-sections with the constant gold to bismuth ration of 1:1 and 1:2. For all the investigated compositions, decrease of the surface tension is observed with increasing temperature. Meanwhile, the surface tension values were also calculated based on Butler's equation, with using the newest research on thermodynamics data of...

  10. Phase field simulation of monotectic transformation for liquid Ni-Cu-Pb alloys

    Institute of Scientific and Technical Information of China (English)

    LUO BingChi; WANG HaiPeng; WEI BingBo

    2009-01-01

    Based on the subregular solution model, the liquid phase separation of ternary (NixCu100-x)50Pb50monotectic alloys is simulated by the phase field method. It is found that if the surface segregation potential is not incorporated, the dynamic morphologies of alloy melt show a transition from disperse microstructure into bicontinuous microstructure with the increase of fluidity parameter. When the sur-face segregation potential is coupled, Pb-rich phase migrates preferentially to the surface of the liquid alloy, and the Ni-rich phase depends on the Pb-rich phase to nucleate. With the extension of the phase separation time, the surface layer is formed through coagulation and growth, and its thickness gradu-ally increases. The Ni-rich phase migrates to the central part, and finally a two-layer core-shell micro-structure is produced. The concentration in the surface layer fluctuates more conspicuously than that inside the bulk phase, which subsequently transfers from the surface to the interior by a wave. The fluid field near the liquid-liquid interface is strong at the beginning of phase separation, and reduces later on. The surface segregation is essential to the formation of the surface layer, concentration profile variation, fluid field distribution and phase separation morphology.

  11. Thermodynamic properties of liquid Au-Cu-Sn alloys determined from electromotive force measurements

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Zhongnan, E-mail: guozhongn@163.com [Institute of Inorganic chemistry/Material chemistry, University of Vienna, A-1090 Vienna (Austria); Department of Chemistry, School of Chemical and Biological engineering, University of Science and Technology Beijing, 100083 Beijing (China); Hindler, Michael [Institute of Inorganic chemistry/Material chemistry, University of Vienna, A-1090 Vienna (Austria); Yuan, Wenxia [Department of Chemistry, School of Chemical and Biological engineering, University of Science and Technology Beijing, 100083 Beijing (China); Mikula, Adolf [Institute of Inorganic chemistry/Material chemistry, University of Vienna, A-1090 Vienna (Austria)

    2011-10-20

    Highlights: {yields} A full thermodynamic description of the liquid ternary Au-Cu-Sn system is reported. {yields} The electromotive force method with a liquid electrolyte was used to determine the activity of tin in the alloys. {yields} The partial free energies of tin in this system were calculated from the obtained EMF values. {yields} The Gibbs-Duhem integration was used to calculate the integral Gibbs free energy and integral enthalpy of the entire system. - Abstract: The thermodynamic properties of the ternary Au-Cu-Sn system were determined with the electromotive force (EMF) method using a liquid electrolyte. Three different cross-sections with constant Au:Cu ratios of 3:1, 1:1, and 1:3 were applied to measure the thermodynamic properties of the ternary system in the temperature range between the liquidus temperature of the alloys and 1023 K. The partial free energies of Sn in liquid Au-Cu-Sn alloys were obtained from EMF data. The integral Gibbs free energy and the integral enthalpy at 900 K were calculated by Gibbs-Duhem integration. The ternary interaction parameters were evaluated using the Redlich-Kister-Muggianu polynomial.

  12. PHASE ANALYSIS AND CRYSTAL STRUCTURE STUDIES ON BINARY ALLOYS OF ALUMINUM WITH TRANSITION METALS.

    Science.gov (United States)

    In order to provide the necessary background for detailed crystal-chemistry studies in the field of binary aluminum - transition metal systems, extensive investigations have been carried out on the phase relations of a large number of such systems. The results of these studies are briefly summarized, as are also the results of crystal structure determinations of a few alumi num - transition metal phases. (Author)

  13. Modeling the diffusion of solid copper into liquid solder alloys

    Energy Technology Data Exchange (ETDEWEB)

    Rizvi, M.J. [School of Computing and Mathematical Sciences, University of Greenwich, 30 Park Row, London, SE10 9LS (United Kingdom)], E-mail: rm77@gre.ac.uk; Lu, H.; Bailey, C. [School of Computing and Mathematical Sciences, University of Greenwich, 30 Park Row, London, SE10 9LS (United Kingdom)

    2009-01-01

    During the soldering process, the copper atoms diffuse into liquid solders. The diffusion process determines integrity and the reworking possibility of a solder joint. In order to capture the diffusion scenarios of solid copper into liquid Sn-Pb and Sn-Cu solders, a computer modeling has been performed for 10 s. An analytical model has also been proposed for calculating the diffusion coefficient of copper into liquid solders. It is found that the diffusion coefficient for Sn-Pb solder is 2.74 x 10{sup -10} m{sup 2}/s and for Sn-Cu solder is 6.44 x 10{sup -9} m{sup 2}/s. The modeling results reveal that the diffusion coefficient is one of the major factors that govern the rate at which solid Cu dissolve in the molten solder. The predicted dissolved amounts of copper into solders have been validated with the help of scanning electron microscopic analysis.

  14. Surface tension of liquid metals and alloys--recent developments.

    Science.gov (United States)

    Egry, I; Ricci, E; Novakovic, R; Ozawa, S

    2010-09-15

    Surface tension measurements are a central task in the study of surfaces and interfaces. For liquid metals, they are complicated by the high temperatures and the consequently high reactivity characterising these melts. In particular, oxidation of the liquid surface in combination with evaporation phenomena requires a stringent control of the experimental conditions, and an appropriate theoretical treatment. Recently, much progress has been made on both sides. In addition to improving the conventional sessile drop technique, new containerless methods have been developed for surface tension measurements. This paper reviews the experimental progress made in the last few years, and the theoretical framework required for modelling and understanding the relevant physico-chemical surface phenomena.

  15. Ideal gas solubilities and solubility selectivities in a binary mixture of room-temperature ionic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Finotello Alexia; Bara Jason E.; Narayan Suguna; Campder Dean; Noble Richard D. [University of Colorado, Boulder, CO (United States)

    2008-07-01

    This study focuses on the solubility behaviors of CO{sub 2}, CH{sub 4}, and N{sub 2} gases in binary mixtures of imidazolium-based room-temperature ionic liquids (RTILs) using l-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)-imide ((C{sub 2}mim)(Tf{sub 2}N)) and l-ethyl-3-methylimidazolium tetrafluoroborate ((C{sub 2}mim)(BF{sub 4})) at 40{sup o}C and low pressures (about 1 atm). The mixtures tested were 0, 25, 50, 75, 90, 95, and 100 mol % (C{sub 2}mim)(BF{sub 4}) in (C{sub 2}-mim)(Tf2{sub N}). Results show that regular solution theory (RST) can be used to describe the gas solubility and selectivity behaviors in RTIL mixtures using an average mixture solubility parameter or an average measured mixture molar volume. Interestingly, the solubility selectivity, defined as the ratio of gas mole fractions in the RTIL mixture, of CO{sub 2} with N{sub 2} or CH{sub 4} in pure (C{sub 2}mim)(BF4) can be enhanced by adding 5 mol% (C{sub 2}-mim)(Tf{sub 2}N).

  16. Ideal gas solubilities and solubility selectivities in a binary mixture of room-temperature ionic liquids.

    Science.gov (United States)

    Finotello, Alexia; Bara, Jason E; Narayan, Suguna; Camper, Dean; Noble, Richard D

    2008-02-28

    This study focuses on the solubility behaviors of CO2, CH4, and N2 gases in binary mixtures of imidazolium-based room-temperature ionic liquids (RTILs) using 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([C2mim][Tf2N]) and 1-ethyl-3-methylimidazolium tetrafluoroborate ([C2mim][BF4]) at 40 degrees C and low pressures (approximately 1 atm). The mixtures tested were 0, 25, 50, 75, 90, 95, and 100 mol % [C2mim][BF4] in [C2mim][Tf2N]. Results show that regular solution theory (RST) can be used to describe the gas solubility and selectivity behaviors in RTIL mixtures using an average mixture solubility parameter or an average measured mixture molar volume. Interestingly, the solubility selectivity, defined as the ratio of gas mole fractions in the RTIL mixture, of CO2 with N2 or CH4 in pure [C2mim][BF4] can be enhanced by adding 5 mol % [C2mim][Tf2N].

  17. Electrically Tunable Binary-Phase Fresnel Lens Based on Polymer Dispersed Liquid Crystal

    Directory of Open Access Journals (Sweden)

    Hui LI

    2017-05-01

    Full Text Available This is a proposal for a Fresnel lens with an electrically tunable binary-phase made of polymer dispersed liquid crystal (PDLC, which has relatively fast response time and low applied voltage. Simple fabrication is the major advantage of the proposed method. In this study, NOA65 and E7 were utilized with weight ratios of 60 wt.%: 40 wt.%. There was also the utilization of a relatively low intensity UV-light, 0.53 mW/cm2. The duration time of exposure was about 30 hours. The performance improvement of the Fresnel lens resulted from the infiltration of large LC droplet into the PDLC film. The phenomenon of black cross strip patterns could be explained with the use of the electro-hydrodynamics theory. The diffraction efficiency of the proposed lens was from 31.1 % to 41 % with the changes of externally applied voltage. This work presents an effective approach to get relatively complete phase separation in PDLC. The proposed method also provides great potential in developing high performance Fresnel lens.DOI: http://dx.doi.org/10.5755/j01.ms.23.2.16317

  18. Phase diagram, solubility limit and hydrodynamic properties of cellulose in binary solvents with ionic liquid.

    Science.gov (United States)

    Le, Kim Anh; Rudaz, Cyrielle; Budtova, Tatiana

    2014-05-25

    Cellulose solubility phase diagrams in two binary solvents based on 1-ethyl-3-methylimidazolium acetate (EmimAc) mixed with water and with dimethylsulfoxide (DMSO) were built. The minimal amount of EmimAc molecules needed to dissolve cellulose is 2.5-3moles per anhydroglucose unit. This proportion allows calculation of the maximal cellulose concentration soluble in EmimAc-DMSO at any composition; in EmimAc it is around 25-27wt%. Water forms hydrogen bonds with EmimAc and thus competes with cellulose for ionic liquid; the solubility of cellulose in EmimAc-water is much lower than that in EmimAc-DMSO. Hydrodynamic properties of cellulose in two solvent systems were compared. In EmimAc-DMSO cellulose intrinsic viscosity practically does not depend on DMSO content as predicted by the phase diagram. The intrinsic viscosity in EmimAc-water first increases with water content due to cellulose self-aggregation and then abruptly decreases due to coagulation.

  19. The solid-liquid phase diagrams of binary mixtures of consecutive, even saturated fatty acids.

    Science.gov (United States)

    Costa, Mariana C; Sardo, Mariana; Rolemberg, Marlus P; Coutinho, João A P; Meirelles, Antonio J A; Ribeiro-Claro, Paulo; Krähenbühl, M A

    2009-08-01

    For the first time, the solid-liquid phase diagrams of five binary mixtures of saturated fatty acids are here presented. These mixtures are formed of caprylic acid (C(8:0))+capric acid (C(10:0)), capric acid (C(10:0))+lauric acid (C(12:0)), lauric acid (C(12:0))+myristic acid (C(14:0)), myristic acid (C(14:0))+palmitic acid (C(16:0)) and palmitic acid (C(16:0))+stearic acid (C(18:0)). The information used in these phase diagrams was obtained by differential scanning calorimetry (DSC), X-ray diffraction (XRD), FT-Raman spectrometry and polarized light microscopy, aiming at a complete understanding of the phase diagrams of the fatty acid mixtures. All of the phase diagrams reported here presented the same global behavior and it was shown that this was far more complex than previously imagined. They presented not only peritectic and eutectic reactions, but also metatectic reactions, due to solid-solid phase transitions common in fatty acids and regions of solid solution not previously reported. This work contributes to the elucidation of the phase behavior of these important biochemical molecules, with implications in various industrial applications.

  20. Exploring the pathways for enhancing the hard magnetic properties of binary Al-55at.%Mn Heusler alloy through mechanical alloying

    Science.gov (United States)

    Palanisamy, Dhanalakshmi; Madras, Giridhar; Chattopadhyay, Kamanio

    2017-10-01

    This work reports enhancing the hard magnetic properties of a binary ferromagnetic Heusler alloy based on Mn-Al system through mechanical milling. We report the processing induced evolution of magnetic properties for two sets of alloys, both having the same stoichiometric composition of Al-55at.%Mn with one of them containing high temperature ε phase while the other consisting of only metastable ferromagnetic τ phase. No effect of milling on the magnetic properties of ε phase could be detected due to its nonmagnetic nature. However, subsequent annealing at 350 °C for 30 min after milling results in structural change and exhibits magnetic response. The phase transitions were found to depend on prior milling history. The highest saturation magnetization and coercivity were obtained for 4 h milled sample that is annealed at 350 °C for 30 min with values of 23 emu/g and 5.2 KOe, respectively. In the case of samples with initial microstructure consisting of grains of only metastable τ phase, no decomposition could be observed when milled for a period up to 9 h. Additionally, it was observed that after 3 h of milling, the saturation magnetization value reduces to 24 emu/g and coercivity increases to 5.2 KOe from an initial values of 116 emu/g and 0.98KOe respectively. Further milling causes a decrease in both the values. Annealing of the 3 h milled powder at 350 °C for 30 min, resulted in a slight decrease in coercivity (Hc = 4.9 KOe) while a significant increase in saturation magnetization (34 emu/g) value could be observed. Experimental results suggest that magnetization reversal is domain nucleation controlled and that the nonmagnetic phases (β + γ2) present can act as the pinning sites.

  1. Vapour–liquid equilibria of the OPLS (Optimized Potentials for Liquid Simulations model for binary systems of alkanes and alkanes + alcohols

    Directory of Open Access Journals (Sweden)

    SLOBODAN P. SERBANOVIC

    2005-03-01

    Full Text Available The NpT - Gibbs ensemble Monte Carlo computer simulationmethod was applied to predict the vapour–liquid equlibrium (VLE behavior of the binary systems ethane + pentane at 277.55 K and 310.95 K, ethane + hexane at 298.15 K, propane + methanol at 313.15 K and propane + ethanol at 325.15 K and 425.15 K. The optimised potentials for the liquid simulating (OPLS model were used to describe the interactions of alkanes and alcohols. The simulated VLE predictions are compared with experimental data available for the pressure and phase composition of the analyzed binary systems. The agreement between the experimental data and the simulation results is found to be generally good, although slightly better for system in which both components were nonpolar.

  2. Thermodynamic properties of the liquid Bi-Cu-Sn lead-free solder alloys

    Directory of Open Access Journals (Sweden)

    Kopyto M.

    2009-01-01

    Full Text Available The electromotive force measurement method was employed to determine the thermodynamic properties of liquid Bi-Cu-Sn alloys using solid electrolyte galvanic cells as shown below: Kanthal+Re, Bi-Cu-Sn, SnO2 | Yttria Stabilized Zirconia | air, Pt, Po2=0.2:1 atm Measurements were carried out for three cross-sections with constant Bi/Cu ratio equal to: 1/3, 1 and 3 and for various tin content varying every 10%, resulting in a total of 26 different alloy compositions. The temperature of the measurements varied within the range from 973 to 1325 K. A linear dependence of the e.m.f. on temperature was observed for all alloy compositions and the appropriate line equations were derived. Tin activities were calculated as function of composition and temperature. Results were presented in tables and figures.

  3. Short-Range Order in Liquid Al-Cu-Ni-Ce Alloy

    Institute of Scientific and Technical Information of China (English)

    孙民华; 边秀房

    2002-01-01

    The liquid and amorphous structures of Al85Ni10Ce5 and Al85Cu5Ni5Ce5 alloy were studied by X-ray diffraction. The position of the first peak shifts to bigger Q-values as the concentration of Cu increases. Gaussian decomposition of first peak in radical distribution function (RDF) was applied to Al-Ni(Cu)-Ce system. The bond lengths of Al-Al, Al-TM(Transition metal) and TM-TM increase with the substitution of Ni by Cu. Viscosity measurement shows that viscosity of Al-Ni-Ce alloy increases faster than that of Al-Ni-Cu-Ce alloy. The addition of Cu can decrease the interaction between atoms, so it is unfavorable to Al-based glass formability.

  4. Electrical conductivity and phase diagram of binary alloys. 21: The system palladium-chromium

    Science.gov (United States)

    Grube, G.; Knabe, R.

    1985-01-01

    Pd-Cr alloys were investigated by thermal analysis, hardness measurements, X-ray analysis, microscopic examination of etched pieces, and temperature-resistance curves of the solid alloys. Only one compound, Pd2Cr3, m, 1389 deg, is formed. It possesses a cubic face centered lattice and forms with excess Pd a series of solid solutions with a minimum m.p. at 45 atoms% Pd. Hardness maximum appears at the Pd2Cr3 point. Pd2Cr3 forms no solid solutions with Cr but eutectic point appears at 25 atoms% Pd, m. 1320 deg. The sp. resistance of pure Cr in an atom of H, indicates no allotropic forms. Cr2O3 is solid in molten Cr. Pure Cr melts at 1890 plus or minus 10 deg but Cr contg. Cr2O3 starts to melt at 1770 to 1790 deg.

  5. Thermodynamic properties and atomic structure of Ca-based liquid alloys

    Science.gov (United States)

    Poizeau, Sophie

    To identify the most promising positive electrodes for Ca-based liquid metal batteries, the thermodynamic properties of diverse Ca-based liquid alloys were investigated. The thermodynamic properties of Ca-Sb alloys were determined by emf measurements. It was found that Sb as positive electrode would provide the highest voltage for Ca-based liquid metal batteries (1 V). The price of such a battery would be competitive for the grid-scale energy storage market. The impact of Pb, a natural impurity of Sb, was predicted successfully and confirmed via electrochemical measurements. It was shown that the impact on the open circuit voltage would be minor. Indeed, the interaction between Ca and Sb was demonstrated to be much stronger than between Ca and Pb using thermodynamic modeling, which explains why the partial thermodynamic properties of Ca would not vary much with the addition of Pb to Sb. However, the usage of the positive electrode would be reduced, which would limit the interest of a Pb-Sb positive electrode. Throughout this work, the molecular interaction volume model (MIVM) was used for the first time for alloys with thermodynamic properties showing strong negative deviation from ideality. This model showed that systems such as Ca-Sb have strong short-range order: Ca is most stable when its first nearest neighbors are Sb. This is consistent with what the more traditional thermodynamic model, the regular association model, would predict. The advantages of the MIVM are the absence of assumption regarding the composition of an associate, and the reduced number of fitting parameters (2 instead of 5). Based on the parameters derived from the thermodynamic modeling using the MIVM, a new potential of mixing for liquid alloys was defined to compare the strength of interaction in different Ca-based alloys. Comparing this trend with the strength of interaction in the solid state of these systems (assessed by the energy of formation of the intermetallics), the systems with

  6. Microstructure evaluation of long-term aged binary Ag-Cu alloy

    OpenAIRE

    K. Labisz; Z. Rdzawski; M. Pawlyta

    2011-01-01

    Purpose: In this work there are presented microstructure investigation results of the long aged Ag-Cu alloy used for monetary production. The purpose of this work was to determine the microstructural phase changes after 30 year ageing time, with appliance of transmission electron microscopy. Mainly the possibility of spinodal decomposition process occurrence was investigated.Design/methodology/approach: The investigations were performed using optical microscopy for the microstructure determin...

  7. Relation between emission properties and the surface composition of binary and ternary iridium base alloys

    Energy Technology Data Exchange (ETDEWEB)

    Gnuchev, N.M.; Gell, A.P.

    1982-12-01

    Changes in the surface composition and emission properties of iridium alloys with 1.8 and 2.7 at. % of cerium as well as Ir - 8% Ce - 5% Mo and Ir - 8% Ce - 15% Re in the process of thermal treatment in the temperature range of 1400-2000 K were studied. Thermoelectron work function and specimen Auger spectra were detected. The investigations were carried on by experimental instruments equipped with three-grid quasi-spherical analyzers of approximately 0.5% resolution. The investigations have shown that heating at 900-2000 K results in marked improvement of emission properties of both two-and three-component alloys. The surface is cleaned from contaminants and its elementary composition and structure reach optimal ones. At the same time intensive cerium evaporation occurs and emission capability of alloys of low cerium content drops at such high temperatures. So, heating of Ir - 1% Ce specimen during several hours at 2000 K resulted in reduction of cerium Auger peak amplitude and increase in work function by 0.3 eV.

  8. Influence of silicon concentration on linear contraction process of Al-Si binary alloy

    Directory of Open Access Journals (Sweden)

    J. Mutwil

    2008-12-01

    Full Text Available Investigations of shrinkage phenomena during solidification and cooling of aluminium and aluminium-silicon alloys (AlSi5, AlSi7, AlSi9, AlSi11, AlSi12.5, AlSi18, AlSi21 have been conducted. A vertical shrinkage rod casting with circular cross-section (constant or fixed: tapered has been used as a test sample. By constant cross-section a test channel mould was parted and allowed a constrained contraction to examine. No parted test channel mould was tapered and allowed an unconstrained contraction to investigate. In the experiments the dimensions changes of solidifying test bar and the test mould have been registered, what has allowed to explain a mechanism of pre-shrinkage extension of solidifying metals and alloys. Registered time dependence of the test bar and the test mould dimension changes have shown, that so-called pre-shrinkage extension has been by mould thermal extension caused. The investigation results have also shown that time- and temperature dependences of shrinkage of Al-Si alloys have been on silicon concentration depended.

  9. THE STRUCTURE OF LIQUID LI-SI ALLOYS

    NARCIS (Netherlands)

    DEJONG, PHK; VERKERK, P; VANDERLUGT, W; DEGRAAF, LA

    1993-01-01

    The reverse Monte Carlo method is used to analyse neutron diffraction data on liquid Li65Si35. A well defined Si-Si partial pair correlation function is obtained with strong indications for covalent Si-Si bonds. It is also clear that most of the Si4 stars and Si5 rings occurring in solid Li12Si7 hav

  10. Phase separation of a binary liquid in anodic aluminium oxide templates: a structural study by small angle neutron scattering.

    Science.gov (United States)

    Lefort, R; Duvail, J-L; Corre, T; Zhao, Y; Morineau, D

    2011-07-01

    The radial nanostructure of the binary liquid triethylamine/water confined in 60 nm diameter independent cylindrical pores of anodic aluminium oxide membranes is studied by small angle neutron scattering. It is shown that composition inhomogeneities are present in the confined mixtures well below the bulk critical point. An analysis of the neutron scattering form factor reveals the existence of an adsorbed water layer of a few nanometers at the liquid/alumina interface, coexisting with a TEA-rich phase in the core.

  11. Transport properties and Stokes-Einstein relation in Al-rich liquid alloys

    Science.gov (United States)

    Jakse, N.; Pasturel, A.

    2016-06-01

    We use ab initio molecular dynamics simulations to study the transport properties and the validity of the Stokes-Einstein relation in Al-rich liquid alloys with Ni, Cu, and Zn as alloying elements. First, we show that the composition and temperature dependence of their transport properties present different behaviors, which can be related to their local structural ordering. Then, we evidence that the competition between the local icosahedral ordering and the local chemical ordering may cause the breakdown of the Stokes-Einstein relation even in the liquid phase. We demonstrate that this breakdown can be captured by entropy-scaling relationships developed by Rosenfeld and using the two-body excess entropy. Our findings provide a unique framework to study the relation between structure, thermodynamics, and dynamics in metallic melts and pave the way towards the explanation of various complex transport properties in metallic melts.

  12. Theoretical studies of mutual diffusivities and surface properties in Cd–Ga liquid alloys

    Indian Academy of Sciences (India)

    B C Anusionwu; C A Madu; C E Orji

    2009-06-01

    The mutual diffusion coefficients, activation energy for diffusion, surface concentration and surface tension of the liquid Cd–Ga alloys have been calculated throughout the concentration range using energetics obtained from the theoretical model fits of the experimental thermodynamic data. Our calculations show that Cd–Ga liquid alloys showed immiscibility at a temperature of 723 K between 0.4 and 0.5 atomic fraction of Cd. Within this concentration region and temperature, the mutual diffusion coefficients approached zero values and the activation energy for diffusion reached high peak values of 220 J/mol. It was also observed that within the region of immscibility, the diffusion coefficients do not obey Arrhenius relation over a wide range of temperature.

  13. Surface tension and specific heat of liquid Ni70.2Si29.8 alloy

    Institute of Scientific and Technical Information of China (English)

    WANG Haipeng; WEI Bingbo

    2005-01-01

    The surface tension and specific heat of stable and metastable liquid Ni70.2Si29.8 eutectic alloy were measured by electromagnetic levitation oscillating drop method and drop calorimetry. The surface tension depends on temperature linearly within the experimental undercooling regime of 0-182 K (0.12 TE). Its value is 1.693 N·m-1 at the eutectic temperature of 1488 K, and the temperature coefficient is -4.23×10-4 N·m-1·K-1. For the specific heat measurement, the maximum undercooling is up to 253 K (0.17 TE). The specific heat is determined as a polynomial function of temperature in the experimental temperature regime. On the basis of the measured data of surface tension and specific heat, the temperature-dependent density, excess volume and sound speed of liquid Ni70.2Si29.8 alloy are predicted theoretically.

  14. Thermodynamic properties of liquid Au–Cu–Sn alloys determined from electromotive force measurements

    Science.gov (United States)

    Guo, Zhongnan; Hindler, Michael; Yuan, Wenxia; Mikula, Adolf

    2011-01-01

    The thermodynamic properties of the ternary Au–Cu–Sn system were determined with the electromotive force (EMF) method using a liquid electrolyte. Three different cross-sections with constant Au:Cu ratios of 3:1, 1:1, and 1:3 were applied to measure the thermodynamic properties of the ternary system in the temperature range between the liquidus temperature of the alloys and 1023 K. The partial free energies of Sn in liquid Au–Cu–Sn alloys were obtained from EMF data. The integral Gibbs free energy and the integral enthalpy at 900 K were calculated by Gibbs–Duhem integration. The ternary interaction parameters were evaluated using the Redlich–Kister–Muggianu polynomial. PMID:22039311

  15. Thermodynamic properties of liquid Au-Cu-Sn alloys determined from electromotive force measurements.

    Science.gov (United States)

    Guo, Zhongnan; Hindler, Michael; Yuan, Wenxia; Mikula, Adolf

    2011-10-20

    The thermodynamic properties of the ternary Au-Cu-Sn system were determined with the electromotive force (EMF) method using a liquid electrolyte. Three different cross-sections with constant Au:Cu ratios of 3:1, 1:1, and 1:3 were applied to measure the thermodynamic properties of the ternary system in the temperature range between the liquidus temperature of the alloys and 1023 K. The partial free energies of Sn in liquid Au-Cu-Sn alloys were obtained from EMF data. The integral Gibbs free energy and the integral enthalpy at 900 K were calculated by Gibbs-Duhem integration. The ternary interaction parameters were evaluated using the Redlich-Kister-Muggianu polynomial.

  16. Pressure-induced structural change in liquid GaIn eutectic alloy

    DEFF Research Database (Denmark)

    Yu, Q.; Ahmad, A. S.; Ståhl, Kenny

    2017-01-01

    Synchrotron x-ray diffraction reveals a pressure induced crystallization at about 3.4 GPa and a polymorphic transition near 10.3 GPa when compressed a liquid GaIn eutectic alloy up to ~13 GPa at room temperature in a diamond anvil cell. Upon decompression, the high pressure crystalline phase rema...... in local atomic packing of the nearest neighbors as well as electronic structures at the transition pressure....

  17. Dielectric relaxation in ionic liquid/dipolar solvent binary mixtures: A semi-molecular theory

    Science.gov (United States)

    Daschakraborty, Snehasis; Biswas, Ranjit

    2016-03-01

    A semi-molecular theory is developed here for studying dielectric relaxation (DR) in binary mixtures of ionic liquids (ILs) with common dipolar solvents. Effects of ion translation on DR time scale, and those of ion rotation on conductivity relaxation time scale are explored. Two different models for the theoretical calculations have been considered: (i) separate medium approach, where molecularities of both the IL and dipolar solvent molecules are retained, and (ii) effective medium approach, where the added dipolar solvent molecules are assumed to combine with the dipolar ions of the IL, producing a fictitious effective medium characterized via effective dipole moment, density, and diameter. Semi-molecular expressions for the diffusive DR times have been derived which incorporates the effects of wavenumber dependent orientational static correlations, ion dynamic structure factors, and ion translation. Subsequently, the theory has been applied to the binary mixtures of 1-butyl-3-methylimidazolium tetrafluoroborate ([Bmim][BF4]) with water (H2O), and acetonitrile (CH3CN) for which experimental DR data are available. On comparison, predicted DR time scales show close agreement with the measured DR times at low IL mole fractions (xIL). At higher IL concentrations (xIL > 0.05), the theory over-estimates the relaxation times and increasingly deviates from the measurements with xIL, deviation being the maximum for the neat IL by almost two orders of magnitude. The theory predicts negligible contributions to this deviation from the xIL dependent collective orientational static correlations. The drastic difference between DR time scales for IL/solvent mixtures from theory and experiments arises primarily due to the use of the actual molecular volume ( Vmol dip ) for the rotating dipolar moiety in the present theory and suggests that only a fraction of Vmol dip is involved at high xIL. Expectedly, nice agreement between theory and experiments appears when experimental

  18. Dielectric relaxation in ionic liquid/dipolar solvent binary mixtures: A semi-molecular theory.

    Science.gov (United States)

    Daschakraborty, Snehasis; Biswas, Ranjit

    2016-03-14

    A semi-molecular theory is developed here for studying dielectric relaxation (DR) in binary mixtures of ionic liquids (ILs) with common dipolar solvents. Effects of ion translation on DR time scale, and those of ion rotation on conductivity relaxation time scale are explored. Two different models for the theoretical calculations have been considered: (i) separate medium approach, where molecularities of both the IL and dipolar solvent molecules are retained, and (ii) effective medium approach, where the added dipolar solvent molecules are assumed to combine with the dipolar ions of the IL, producing a fictitious effective medium characterized via effective dipole moment, density, and diameter. Semi-molecular expressions for the diffusive DR times have been derived which incorporates the effects of wavenumber dependent orientational static correlations, ion dynamic structure factors, and ion translation. Subsequently, the theory has been applied to the binary mixtures of 1-butyl-3-methylimidazolium tetrafluoroborate ([Bmim][BF4]) with water (H2O), and acetonitrile (CH3CN) for which experimental DR data are available. On comparison, predicted DR time scales show close agreement with the measured DR times at low IL mole fractions (x(IL)). At higher IL concentrations (x(IL) > 0.05), the theory over-estimates the relaxation times and increasingly deviates from the measurements with x(IL), deviation being the maximum for the neat IL by almost two orders of magnitude. The theory predicts negligible contributions to this deviation from the x(IL) dependent collective orientational static correlations. The drastic difference between DR time scales for IL/solvent mixtures from theory and experiments arises primarily due to the use of the actual molecular volume (V(mol)(dip)) for the rotating dipolar moiety in the present theory and suggests that only a fraction of V(mol)(dip) is involved at high x(IL). Expectedly, nice agreement between theory and experiments appears when

  19. Hard rhenium–boron–cobalt amorphous alloys with a wide supercooled liquid region

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Jianfeng, E-mail: jfwang316@zzu.edu.cn [School of Materials Science and Engineering, Zhengzhou University, Zhengzhou 450001 (China); Zhu, Shijie; Wang, Liguo; Guan, Shaokang [School of Materials Science and Engineering, Zhengzhou University, Zhengzhou 450001 (China); Li, Ran; Zhang, Tao [School of Materials Science and Engineering, Beihang University, Beijing 100191 (China)

    2015-10-01

    Novel Re–B–Co amorphous alloys with compositions of Re{sub 65−x}B{sub 35}Co{sub x} (at%, x=25, 30, 35, 40, 45, and 50) were fabricated by single-roller melt spinning. These alloys were found to exhibit a clear glass transition phenomenon. The width of supercooled liquid region (ΔT{sub x}) is in the range of 52–71 K. Such a large ΔT{sub x} allows us to produce amorphous alloy bulks by thermoplastic forming. The Vickers hardness is up to 19.10 GPa for the Re{sub 40}B{sub 35}Co{sub 25} alloy, which is close to that reported for some hard covalent crystals. Thus, the present alloys with a combination of large ΔT{sub x} and high hardness are expected to be used as a new type of structural materials. Furthermore, the relationships of hardness with glass transition temperature and Young's modulus were also discussed.

  20. Calculation of the self-formation driving force for composite microstructure in liquid immiscible alloy system

    Institute of Scientific and Technical Information of China (English)

    LIU Xingjun; WANG Cuiping; Ikuo OHNUMA; Ryosuke KAINUMA; Kiyohito ISHIDA; CHEN Xiaohu

    2005-01-01

    Using Becker's method, we calculate the interfacial energy between two liquid phases in an immiscible system. Based on the Gibbs-Thomson equation, the force acting on the droplet towards the thermal center can be obtained by integrating the interfacial energy between the droplet and matrix liquid phase, which is related to both the radius of a droplet and the temperature gradient. In addition, the forces of gravitation and buoyancy also act on the droplet. The calculated results indicate that the resultant for these forces together mainly decides the microstructure morphology of the solidified alloy. The calculated results are in good agreement with the corresponding experimental results.

  1. Electrophysical and structure-sensitive properties of liquid Ga-In alloys

    Energy Technology Data Exchange (ETDEWEB)

    Plevachuk, Yuriy; Sklyarchuk, Vasyl [Ivan Franko National Univ., Lviv (Ukraine). Dept. of Metal Physics; Shevchenko, Natalia; Eckert, Sven [Helmholtz-Zentrum Dresden-Rossendorf, Dresden (Germany)

    2015-01-15

    The broad interest in the thermophysical properties of gallium-based melts is stimulated by their extensive use in various applications, such as sliding contacts, heat-sensitive elements of liquid-metal thermometers and thermocouples, carrier liquid for conducting magnetic fluids and the working medium for physical modeling in solidification and magnetohydrodynamic studies. The electrical conductivity, thermal conductivity, viscosity, density and thermoelectric power were determined for different alloy compositions in a wide temperature range below and above the liquidus. Respective scaling relations are proposed. A comparison with data available in literature is given.

  2. 二元镁合金在细胞培养基中的耐腐蚀能力及其生物相容性%Corrosion resistance and biocompatibility of binary magnesium alloys in cell culture medium

    Institute of Scientific and Technical Information of China (English)

    杨春喜; 郑玉峰; 顾雪楠; 袁广银; 张佳; 戴尅戎

    2011-01-01

    BACKGROUND: Degrading magnesium and magnesium alloys are a new class of implant materials suitable for orthopedic surgery due to its bone conductibility and degradability, so further research on the evaluation of magnesium is very necessary.OBJECTIVE: To determine the degradability of magnesium and binary magnesium alloys in cell culture medium and their influence on the viability of adult human bone marrow mesenchymal stem cells.METHODS: Eight alloying elements Al, Ca, Mn, Si, Sn, Y, Zn and Zr were added into magnesium individually to fabricate binary Mg-1X (wt.%) alloys. Pure magnesium and eight binary magnesium alloys were immersed in α-MEM (containing 10% fetal bovine serum) to prepare extracts. The pH values of the extraction media were measured. Magnesium and alloy element ions in the extraction medium were analyzed using inductively coupled plasma-atomic emission spectrometry. Adult human bone marrow mesenchymal stem cells were cultured in extracts of 100%, 50% , 25% magnesium and eight binary magnesium alloys for 1, 3, 5,7 days. The indirect effects of magnesium alloys on viability of adult human bone marrow mesenchymal stem cells were detected using Alamar Blue(R) cell viability reagent.RESULTS AND CONCLUSION: Mg-Ca and Mg-Y alloys showed poor corrosion resistance. The Mg2+ concentration in liquid was (408.0±37.9) mg/L and (351±15.3) mg/L, respectively, while pH value was 8.87±0.19 and 8.84±0.15. Next is Mg-Zr alloy; other binary alloys were equal to pure Mg regarding corrosion resistance. The magnesium and eight binary magnesium alloys extracts at 100% concentration significantly inhibited the viability of ad ult human bone marrow mesenchymal stem cells. But the extracts did not inhibit the cell viability while Mg2+ concentration was ≤ 110 mg/L and pH value of 7.35-7.65.%背景:尽管已经有很多研究报道镁及其合金具有一定的骨传导性和可降解性,可以做为承重骨科内植物材料,但是还需要做更多的

  3. Thermodynamic Investigation of the Effect of Interface Curvature on the Solid-Liquid Equilibrium and Eutectic Point of Binary Mixtures.

    Science.gov (United States)

    Liu, Fanghui; Zargarzadeh, Leila; Chung, Hyun-Joong; Elliott, Janet A W

    2017-09-29

    Thermodynamic phase behavior is affected by curved interfaces in micro- and nanoscale systems. For example, capillary freezing point depression is associated with the pressure difference between the solid and liquid phases caused by interface curvature. In this study, the thermal, mechanical, and chemical equilibrium conditions are derived for binary solid-liquid equilibrium with a curved solid-liquid interface due to confinement in a capillary. This derivation shows the equivalence of the most general forms of the Gibbs-Thomson and Ostwald-Freundlich equations. As an example, the effect of curvature on solid-liquid equilibrium is explained quantitatively for the water/glycerol system. Considering the effect of a curved solid-liquid interface, a complete solid-liquid phase diagram is developed over a range of concentrations for the water/glycerol system (including the freezing of pure water or precipitation of pure glycerol depending on the concentration of the solution). This phase diagram is compared with the traditional phase diagram in which the assumption of a flat solid-liquid interface is made. We show the extent to which nanoscale interface curvature can affect the composition-dependent freezing and precipitating processes, as well as the change in the eutectic point temperature and concentration with interface curvature. Understanding the effect of curvature on solid-liquid equilibrium in nanoscale capillaries has applications in the food industry, soil science, cryobiology, nanoporous materials, and various nanoscience fields.

  4. Temperature dependence of the bulk and surface properties of liquid Zn-Cd alloys

    Energy Technology Data Exchange (ETDEWEB)

    Awe, O.E. [University of Ibadan, Department of Physics, Ibadan (Nigeria); Azeez, A.A. [African University of Science and Technology, Abuja (Nigeria)

    2017-05-15

    The effects of temperature on the bulk and surface properties of liquid Zn-Cd alloys have been theoretically investigated, using a combination of self association model, Darken's thermodynamic equation for diffusion, empirical model for viscosity and a statistical mechanics model. The results from this study show that change in temperature resulted in cross-over effects in bulk and surface properties. We also found that with an increase in temperature, a pronounced asymmetry of viscosity isotherm is significantly reduced, and viscosity isotherm exhibited anomalous behaviour. Our results reveal that the homocoordination tendency in Zn-Cd liquid alloys is not strong and reduces with increasing temperature. The study further suggests a pronounced segregation of Cd-atoms at the surface of Zn-Cd liquid alloys and the extent of segregation reduces with temperature. We as well found that, in addition to the reported understanding that size-factor determines the compositional location of asymmetry of the viscosity isotherm, temperature is an operating parameter that has effect, not only on the composition of asymmetry, but also on the magnitude of asymmetry. In all the properties investigated, the most pronounced effect of temperature (52.9 %) is on the viscosity while the least effect (7.1 %) is on the surface tension. (orig.)

  5. (Vapor + Liquid) Equilibrium (VLE) for Binary Lead-Antimony System in Vacuum Distillation: New Data and Modeling Using Nonrandom Two-Liquid (NRTL) Model

    Science.gov (United States)

    Xu, Junjie; Kong, Lingxin; Xu, Baoqiang; Yang, Bin; You, Yanjun; Xu, Shuai; Zhou, Yuezhen; Li, Yifu; Liu, Dachun

    2016-09-01

    In this work, new experimental vapor-liquid equilibrium (VLE) data of lead-antimony alloy (Pb-Sb alloy) in vacuum distillation are reported. The activity coefficients of components of Pb-Sb alloy were calculated by using the NRTL model. The calculated average relative deviations were ±0.1425 and ±0.2433 pct, and the average standard deviations were ±0.0009 and ±0.0007, respectively, for Pb and Sb. The VLE phase diagrams, such as the temperature composition ( T- x) and pressure composition ( P-x) diagrams of Pb-Sb alloy in vacuum distillation were predicted based on the NRTL model and VLE theory. The predicted results are consistent with the new experimental data indicating that VLE phase diagrams obtained by this method are reliable. The VLE phase diagrams of alloys will provide an effective and intuitive way for the technical design and realization of recycling and separation processes. The VLE data may be used in separation processes design, and the thermodynamic properties as the key parameters in specific applications.

  6. Application of the Positron Annihilation Spectroscopy for Chromium Effect Investigation in Binary Fe-Cr Alloys

    Energy Technology Data Exchange (ETDEWEB)

    Sojak, S.; Krsjak, V.; Slugen, V.; Stancek, S.; Petriska, M.; Vitazek, K.; Stacho, M. [Department of Nuclear Physics and Technology, Faculty of Electrical Engineering and Information Technology, Slovak University of Technology, Ilkovicova 3, 812 19 Bratislava (Slovakia)

    2008-07-01

    Positron annihilation spectroscopy (PAS) is one of the non-destructive techniques applied with advantage for evaluation of the radiation treated materials microstructure. In this work, the PAS was used for study of different Fe-Cr alloys implanted by ions of helium. Investigation was focused on the chromium effect and the radiation defects resistance. In particular, the vacancy type defects (mono-vacancies, vacancy clusters) have been studied. The results show that the specific content of chromium has important influence on the size and distribution of induced defects. (authors)

  7. Nanoparticles alloying in liquids: Laser-ablation-generated Ag or Pd nanoparticles and laser irradiation-induced AgPd nanoparticle alloying

    Science.gov (United States)

    Semaltianos, N. G.; Chassagnon, R.; Moutarlier, V.; Blondeau-Patissier, V.; Assoul, M.; Monteil, G.

    2017-04-01

    Laser irradiation of a mixture of single-element micro/nanomaterials may lead to their alloying and fabrication of multi-element structures. In addition to the laser induced alloying of particulates in the form of micro/nanopowders in ambient atmosphere (which forms the basis of the field of additive manufacturing technology), another interesting problem is the laser-induced alloying of a mixture of single-element nanoparticles in liquids since this process may lead to the direct fabrication of alloyed-nanoparticle colloidal solutions. In this work, bare-surface ligand-free Ag and Pd nanoparticles in solution were prepared by laser ablation of the corresponding bulk target materials, separately in water. The two solutions were mixed and the mixed solution was laser irradiated for different time durations in order to investigate the laser-induced nanoparticles alloying in liquid. Nanoparticles alloying and the formation of AgPd alloyed nanoparticles takes place with a decrease of the intensity of the surface-plasmon resonance peak of the Ag nanoparticles (at ∼405 nm) with the irradiation time while the low wavelength interband absorption peaks of either Ag or Pd nanoparticles remain unaffected by the irradiation for a time duration even as long as 30 min. The nanoalloys have lattice constants with values between those of the pure metals, which indicates that they consist of Ag and Pd in an approximately 1:1 ratio similar to the atomic composition of the starting mixed-nanoparticle solution. Formation of nanoparticle networks consisting of bimetallic alloyed nanoparticles and nanoparticles that remain as single elements (even after the end of the irradiation), joining together, are also formed. The binding energies of the 3d core electrons of both Ag and Pd nanoparticles shift to lower energies with the irradiation time, which is also a typical characteristic of AgPd alloyed nanoparticles. The mechanisms of nanoparticles alloying and network formation are also

  8. Nanoparticles alloying in liquids: Laser-ablation-generated Ag or Pd nanoparticles and laser irradiation-induced AgPd nanoparticle alloying.

    Science.gov (United States)

    Semaltianos, N G; Chassagnon, R; Moutarlier, V; Blondeau-Patissier, V; Assoul, M; Monteil, G

    2017-04-18

    Laser irradiation of a mixture of single-element micro/nanomaterials may lead to their alloying and fabrication of multi-element structures. In addition to the laser induced alloying of particulates in the form of micro/nanopowders in ambient atmosphere (which forms the basis of the field of additive manufacturing technology), another interesting problem is the laser-induced alloying of a mixture of single-element nanoparticles in liquids since this process may lead to the direct fabrication of alloyed-nanoparticle colloidal solutions. In this work, bare-surface ligand-free Ag and Pd nanoparticles in solution were prepared by laser ablation of the corresponding bulk target materials, separately in water. The two solutions were mixed and the mixed solution was laser irradiated for different time durations in order to investigate the laser-induced nanoparticles alloying in liquid. Nanoparticles alloying and the formation of AgPd alloyed nanoparticles takes place with a decrease of the intensity of the surface-plasmon resonance peak of the Ag nanoparticles (at ∼405 nm) with the irradiation time while the low wavelength interband absorption peaks of either Ag or Pd nanoparticles remain unaffected by the irradiation for a time duration even as long as 30 min. The nanoalloys have lattice constants with values between those of the pure metals, which indicates that they consist of Ag and Pd in an approximately 1:1 ratio similar to the atomic composition of the starting mixed-nanoparticle solution. Formation of nanoparticle networks consisting of bimetallic alloyed nanoparticles and nanoparticles that remain as single elements (even after the end of the irradiation), joining together, are also formed. The binding energies of the 3d core electrons of both Ag and Pd nanoparticles shift to lower energies with the irradiation time, which is also a typical characteristic of AgPd alloyed nanoparticles. The mechanisms of nanoparticles alloying and network formation are also

  9. A Modified Cellular Automaton Method for the Modeling of the Dendritic Morphology of Binary Alloys

    Institute of Scientific and Technical Information of China (English)

    LIU Ying; XU Qingyan; LIU Baicheng

    2006-01-01

    A cellular automaton (CA)-based model for the precise two-dimensional simulation of the dendritic morphology of cast aluminum alloys was developed. Compared with previous CA models, the new model considers the solidification process in more detail, solving the solute and heat conservation equations in the modeling domain, including calculation of the solid fraction, the tip velocity, and the solute diffusion process, all of which have significant influence on the dendrite evolution. The rotating grids technique was used in the simulation to avoid anisotropy introduced by the square grid. Dendritic grain profiles for different crystallographic orientations show the existence of a great number of regular and parallel secondary and tertiary arms. The simulation results for the secondary arm spacing and grain size were compared with experimental data and with results reported in the literature. A good agreement was found between the simulated results and the experimental data. It can be concluded that the model can be used to predict the dendritic microstructure of aluminum alloy in a quantitative manner.

  10. Thermodynamics of solid and liquid group III-V alloys

    Energy Technology Data Exchange (ETDEWEB)

    Anderson, T.J.

    1978-10-01

    Solid-state electrochemical techniques are applied to the Ga-In-Sb-O system to measure some thermodynamic properties important for the analysis of solid-liquid phase equilibria in these important semiconductor materials. The standard Gibbs energies of formation of the most stable oxides of gallium and of indium are determined with a high-temperature solid-state electrochemical cell utilizing calcia-stabilized zirconia as the solid electrolyte and a (CO + CO/sub 2/) gaseous mixture as the reference electrode.

  11. Dielectric relaxation of binary polar liquid mixture measured in benzene at 10 GHz frequency

    Indian Academy of Sciences (India)

    S Sahoo; K Dutta; S Acharyya; S K Sit

    2008-03-01

    The dielectric relaxation times 's and dipole moments 's of the binary () polar liquid mixture of N,N-dimethyl acetamide (DMA) and acetone (Ac) dissolved in benzene (i) are estimated from the measured real ′ and imaginary ″ parts of complex high frequency conductivity * of the solution for different weight fractions 's of 0.0, 0.3, 0.5, 0.7 and 1.0 mole fractions of Ac and temperatures (25, 30, 35 and 40°C) respectively under 9.88 GHz electric field. 's are obtained from the ratio of slopes of ″ - and ′ - curves at → 0 as well as linear slope of ″ - ′ curves of the existing method (Murthy et al, 1989) in order to eliminate polar-polar interaction in the latter case. The calculated 's are in excellent agreement with the reported 's due to Gopalakrishna's method. 's are also estimated from slopes 's of total conductivity - curves at → 0 and the values agree well with the reported 's from G.K. method. The variation of 's and 's with of Ac reveals that solute-solute molecular association occurs within 0.0-0.3 of Ac beyond which solute-solvent molecular association is predicted. The theoretical dipole moments theo's are calculated from bond angles and bond moments to have exact 's only to show the presence of inductive, mesomeric and electromeric effects in the substituent polar groups. The thermodynamic energy parameters are estimated from ln () against 1/ linear curve from Eyring's rate theory to know the molecular dynamics of the system and to establish the fact that the mixture obeys the Debye-Smyth relaxation mechanism.

  12. Comparison of the Molecular Interaction Volume Model with the Unified Interaction Parameter Formalism in the Fe-Cr-Ni Liquid Alloys at 1873 K

    Institute of Scientific and Technical Information of China (English)

    Dongping TAO

    2006-01-01

    The molecular interaction volume model (MIVM) for a general ternary system was deduced in detail for further clarifying and understanding its general multicomponent expression. Both MIVM and the unified interaction parameterformalism (UIPF) can be used to predict the activities of solutes and solvents in the Fe-Cr-Ni liquid alloys. But the former employs only the infinite dilute activity coefficients, and the later is not applicable without the dilute binary and ternary interaction parameters. MIVM has a certain physical meaning from the viewpoint of statistical thermodynamics, so it is an alternative for the estimation of activity coefficients of the solutes and solvents in a dilute or finite concentration metal solution where the interaction parameters are absent or their accuracies are questionable.

  13. Interconnection between microstructure and microhardness of directionally solidified binary Al-6wt.%Cu and multicomponent Al-6wt.%Cu-8wt.%Si alloys

    Directory of Open Access Journals (Sweden)

    ANGELA J. VASCONCELOS

    2016-06-01

    Full Text Available An experimental study has been carried out to evaluate the microstructural and microhardness evolution on the directionally solidified binary Al-Cu and multicomponent Al-Cu-Si alloys and the influence of Si alloying. For this purpose specimens of Al-6wt.%Cu and Al-6wt.%Cu-8wt.%Si alloys were prepared and directionally solidified under transient conditions of heat extraction. A water-cooled horizontal directional solidification device was applied. A comprehensive characterization is performed including experimental dendrite tip growth rates (VL and cooling rates (TR by measuring Vickers microhardness (HV, optical microscopy and scanning electron microscopy with microanalysis performed by energy dispersive spectrometry (SEM-EDS. The results show, for both studied alloys, the increasing of TR and VL reduced the primary dendrite arm spacing (l1 increasing the microhardness. Furthermore, the incorporation of Si in Al-6wt.%Cu alloy to form the Al-6wt.%Cu-8wt.%Si alloy influenced significantly the microstructure and consequently the microhardness but did not affect the primary dendritic growth law. An analysis on the formation of the columnar to equiaxed transition (CET is also performed and the results show that the occurrence of CET is not sharp, i.e., the CET in both cases occurs in a zone rather than in a parallel plane to the chill wall, where both columnar and equiaxed grains are be able to exist.

  14. Interconnection between microstructure and microhardness of directionally solidified binary Al-6wt.%Cu and multicomponent Al-6wt.%Cu-8wt.%Si alloys.

    Science.gov (United States)

    Vasconcelos, Angela J; Kikuchi, Rafael H; Barros, André S; Costa, Thiago A; Dias, Marcelino; Moreira, Antonio L; Silva, Adrina P; Rocha, Otávio L

    2016-05-31

    An experimental study has been carried out to evaluate the microstructural and microhardness evolution on the directionally solidified binary Al-Cu and multicomponent Al-Cu-Si alloys and the influence of Si alloying. For this purpose specimens of Al-6wt.%Cu and Al-6wt.%Cu-8wt.%Si alloys were prepared and directionally solidified under transient conditions of heat extraction. A water-cooled horizontal directional solidification device was applied. A comprehensive characterization is performed including experimental dendrite tip growth rates (VL) and cooling rates (TR) by measuring Vickers microhardness (HV), optical microscopy and scanning electron microscopy with microanalysis performed by energy dispersive spectrometry (SEM-EDS). The results show, for both studied alloys, the increasing of TR and VL reduced the primary dendrite arm spacing (l1) increasing the microhardness. Furthermore, the incorporation of Si in Al-6wt.%Cu alloy to form the Al-6wt.%Cu-8wt.%Si alloy influenced significantly the microstructure and consequently the microhardness but did not affect the primary dendritic growth law. An analysis on the formation of the columnar to equiaxed transition (CET) is also performed and the results show that the occurrence of CET is not sharp, i.e., the CET in both cases occurs in a zone rather than in a parallel plane to the chill wall, where both columnar and equiaxed grains are be able to exist.

  15. Lattice Thermal Conductivity of the Binary and Ternary Group-IV Alloys Si-Sn, Ge-Sn, and Si-Ge-Sn

    Science.gov (United States)

    Khatami, S. N.; Aksamija, Z.

    2016-07-01

    Efficient thermoelectric (TE) energy conversion requires materials with low thermal conductivity and good electronic properties. Si-Ge alloys, and their nanostructures such as thin films and nanowires, have been extensively studied for TE applications; other group-IV alloys, including those containing Sn, have not been given as much attention as TEs, despite their increasing applications in other areas including optoelectronics. We study the lattice thermal conductivity of binary (Si-Sn and Ge-Sn) and ternary (Si-Ge-Sn) alloys and their thin films in the Boltzmann transport formalisms, including a full phonon dispersion and momentum-dependent boundary-roughness scattering. We show that Si-Sn alloys have the lowest conductivity (3 W /mK ) of all the bulk alloys, more than 2 times lower than Si-Ge, attributed to the larger difference in mass between the two constituents. In addition, we demonstrate that thin films offer an additional reduction in thermal conductivity, reaching around 1 W /mK in 20-nm-thick Si-Sn, Ge-Sn, and ternary Si-Ge-Sn films, which is near the conductivity of amorphous SiO2 . We conclude that group-IV alloys containing Sn have the potential for high-efficiency TE energy conversion.

  16. Solidification of Liquid Distributed in its Primary Matrix Phase of Al-10Cu-Fe Alloy and Their Tribological Characteristics

    Science.gov (United States)

    Rao, L. Sankara; Jha, A. K.; Ojha, S. N.

    2016-12-01

    Solidification behavior of liquid phase entrained in its primary solid has been investigated. A hypoeutectic alloy based on Al-Cu-Fe system containing Fe and Si was thermal cycled between semisolid regions to low temperatures. The freezing characteristics of the liquid were recorded in inverse rate cooling curves. The continuous network of the liquid phase progressively changed into isolated droplets with their different size and size distribution. Such droplets revealed undercooling of the melt varying from 20 to 35 °C below the eutectic temperature of the alloy. This behavior of melt undercooling is discussed in light of independent nucleation events associated with freezing of droplets. Solidification structure of droplets revealed particulate eutectic phases in contrast to lamellar eutectic microstructure in the interdendritic region of the as-cast alloy. The droplet distribution and their solidification structure resulted in an improvement in tribological characteristics of the alloy. This effect is correlated with features of wear surfaces generated on the matting surfaces.

  17. Electrical properties of liquid Cd-Te alloys

    Science.gov (United States)

    Moussa, A. Ben; Giordanengo, B.; Humbert, J. C.; Chaaba, H.; Bestandji, M.; Gasser, J. G.

    2000-12-01

    The electrical resistivity and the thermopower of liquid Cdx-Te1-x have been investigated experimentally as a function of temperature over the whole composition range. Due to the high melting point of Cd0.5Te0.5(1098 °C) and the low boiling points of cadmium (765 °C) and tellurium (990 °C), the measurements were difficult. Nevertheless, with a different experimental setup we were able to measure the resistivity and the thermopower from the liquidus up to 1200 °C. The resistivity shows a maximum at x=0.54 reaching a value of 13 000 μΩ cm at 1100 °C. A marked feature of liquid Cdx-Te1-x is that the thermopower varies rapidly from a positive value in the tellurium rich region to a negative value in the cadmium rich one around the equiatomic composition. The electronic properties, near this composition, were analyzed by using equations derived from the Kubo-Greenwood formula.

  18. Liquid Iron Alloys with Hydrogen at Outer Core Conditions by First Principles

    Science.gov (United States)

    Umemoto, K.; Hirose, K.

    2015-12-01

    Since the density of the outer core deduced from seismic data is about 10% lower than that of pure iron at core pressures and temperatures (P-T), it is widely believed that the outer core includes one or more light elements. Although intensive experimental and theoretical studies have been performed so far, the light element in the core has not yet been identified. Comparison of the density and sound velocity of liquid iron alloys with observations, such as the PREM, is a promising way to determine the species and quantity of light alloying component(s) in the outer core. Here we report the results of a first-principles molecular dynamics study on liquid iron alloyed with hydrogen, one of candidates of the light elements. Hydrogen had been much less studied than other candidates. However, hydrogen has been known to reduce the melting temperature of Fe-H solid [1]. Furthermore, very recently, Nomura et al. argued that the outer core may include 24 at.% H in order to be molten under relatively low temperature (attracted strong interests. We clarify the effects of hydrogen on density and sound velocity of liquid iron alloys under outer core P-T conditions. It is shown that ~1 wt% hydrogen can reproduce PREM density and sound velocity simultaneously very well. In addition, we show the presence of hydrogen rather reduces Gruneisen parameters. It indicates that, if hydrogen exists in the outer core, temperature profile of the outer core could be changed considerably from one estimated so far. [1] Sakamaki, K., E. Takahashi, Y. Nakajima, Y. Nishihara, K. Funakoshi, T. Suzuki, and Y. Fukai, Phys. Earth Planet. Inter., 174, 192-201 (2009). [2] Nomura, R., K. Hirose, K. Uesugi, Y. Ohishi, A. Tsuchiyama, A. Miyake, and Y. Ueno, Science 31, 522-525 (2014).

  19. Convection and segregation in directional solidification of dilute and non-dilute binary alloys: effects of ampoule and furnace design

    Energy Technology Data Exchange (ETDEWEB)

    Adornato, P.M.; Brown, R.A.

    1987-01-01

    The effect of furnace configuration and ampoule design on the temperature field, the convection in the melt, the shape of the melt-solid interface, and the segregation of solute in the crystal are analyzed for the directional solidification of several dilute and non-dilute binary semiconductor alloys. The analysis is based on numerical calculations using a Petrov-Galerkin/finite-element method for solving the free-boundary problem that describes axisymmetric convection in the melt, the interface shape, and heat transfer in melt, crystal, and ampoule in a quasi-steady state model of the vertically stabilized Bridgman-Stockbarger system and for a furnace with a uniform temperature gradient imposed over a long section of ampoule. The flow in molten germanium grown in the Bridgman-Stockbarger system has two vertically-stacked toroidal cells. The top cell moves melt upward along the ampoule wall and is driven by the radial temperature gradients caused by the junction of the adiabatic and hot zones of the furnace.

  20. Phase behaviors of binary mixtures composed of electron-rich and electron-poor triphenylene discotic liquid crystals

    Science.gov (United States)

    An, Lingling; Jing, Min; Xiao, Bo; Bai, Xiao-Yan; Zeng, Qing-Dao; Zhao, Ke-Qing

    2016-09-01

    Disk-like liquid crystals (DLCs) can self-assemble to ordered columnar mesophases and are intriguing one-dimensional organic semiconductors with high charge carrier mobility. To improve their applicable property of mesomorphic temperature ranges, we exploit the binary mixtures of electronic donor-acceptor DLC materials. The electron-rich 2,3,6,7,10,11-hexakis(alkoxy)triphenylenes (C4, C6, C8, C10, C12) and an electron-deficient tetrapentyl triphenylene-2,3,6,10-tetracarboxylate have been prepared and their binary mixtures have been investigated. The mesomorphism of the 1:1 (molar ratio) mixtures has been characterized by polarizing optical microscopy (POM), differential scanning calorimetry (DSC), and small angel x-ray scattering (SAXS). The self-assembled monolayer structure of a discogen on a solid-liquid interface has been imaged by the high resolution scanning tunneling microscopy (STM). The match of peripheral chain length has important influence on the mesomorphism of the binary mixtures. Project supported by the National Natural Science Foundation of China (Grant Nos. 51273133 and 51443004).

  1. Obtaining Mixed-Basis Ising-Like Expansions of Binary Alloys from First Principles

    Science.gov (United States)

    Hart, Gus L. W.; Sanati, Mahdi; Wang, Ligen; Zunger, Alex

    2002-03-01

    Many electronic and structural properties of A_1-xBx alloys can be predicted theoretically if one can find (and quickly compute) the ``configurational energy function''--that is, the energy for any given configuration of A and B atoms on the crystal lattice. Cluster expansion methods provide one such approach. We describe our mixed-basis cluster expansion (MBCE) based on first-principles total energy calculations for only a few ordered A_mBn compounds. Our MBCE can robustly predict a variety of material properties including ground states, phase diagrams, precipitate formation, etc. Specifically, we illustrate how systematic choice of interaction parameters, numerical parameters, and choice of input structures can significantly increase the accuracy and the predictive capability of the expansion. We illustrate how the fit of LDA data can be done essentially automatically. Examples include Cu-Au, Ni-Pt, and Sc_1-xBox_xS.

  2. Thermal oxidation of the surface of binary aluminum alloys with rare-earth metals

    Science.gov (United States)

    Akashev, L. A.; Popov, N. A.; Kuznetsov, M. V.; Shevchenko, V. G.

    2015-05-01

    The kinetics of oxidation of the surface of Al alloys with 1-2.5 at % rare-earth metals (REMs) at 400-500°C in air was studied by ellipsometry and X-ray photoelectron spectroscopy (XPS). The addition (1-2.5 at % REM) of all rare-earth metals to aluminum was shown to increase the thickness of the oxide layer. The addition of surfactant and chemically active REMs (Yb, Sm, La, and Ce) increased the rate of oxidation of solid aluminum most effectively. The oxidation can be accelerated by the polymorphic transformations of the individual REM oxides in the film. The surface activity of Sm with respect to solid Al was confirmed by XRS.

  3. Centrifugal Infiltration of Porous Ceramic Preforms by the Liquid Al Alloy – Theoretical Background and Experimental Verification

    Directory of Open Access Journals (Sweden)

    Dolata A.J.

    2016-03-01

    Full Text Available The goal of this work is the description of phenomena occurring during centrifugal infiltration of porous ceramic materials by liquid Al alloy. In this method, the pressure required to infiltration of liquid metal into pores of ceramic is generated by centrifugal force. From the beginning it was assumed that the porous ceramic material will create reinforcement layer in specific area of the casting. The forces that influence on the liquid metal during mould centrifugation and heat exchange between ceramic preform and metal alloy within the area of the front of infiltration were considered in the analysis. The paper presents also selected experiment results.

  4. Liquid Phase 3D Printing for Quickly Manufacturing Metal Objects with Low Melting Point Alloy Ink

    CERN Document Server

    Wang, Lei

    2014-01-01

    Conventional 3D printings are generally time-consuming and printable metal inks are rather limited. From an alternative way, we proposed a liquid phase 3D printing for quickly making metal objects. Through introducing metal alloys whose melting point is slightly above room temperature as printing inks, several representative structures spanning from one, two and three dimension to more complex patterns were demonstrated to be quickly fabricated. Compared with the air cooling in a conventional 3D printing, the liquid-phase-manufacturing offers a much higher cooling rate and thus significantly improves the speed in fabricating metal objects. This unique strategy also efficiently prevents the liquid metal inks from air oxidation which is hard to avoid otherwise in an ordinary 3D printing. Several key physical factors (like properties of the cooling fluid, injection speed and needle diameter, types and properties of the printing ink, etc.) were disclosed which would evidently affect the printing quality. In addit...

  5. Theoretical means for searching bimetallic alloys as anode electrocatalysts for direct liquid-feed fuel cells

    Science.gov (United States)

    Demirci, Umit B.

    The present paper reviews the best anode electrocatalysts, mainly the alloys, which have been tested in direct liquid-feed fuel cells fed with methanol, ethanol or formic acid. It attempts to interpret the alloys catalytic behaviours by using the Nørskov and co-workers' theoretical work [A. Ruban, B. Hammer, P. Stoltze, H.L. Skriver, J.K. Nørskov, J. Mol. Catal. A 115 (1997) 421; B. Hammer, J.K. Nørskov, Adv. Catal. 45 (2000) 71; J. Greeley, J.K. Nørskov, M. Maurikakis, Annu. Rev. Phys. Chem. 53 (2002) 319], who proposed surface theories and databases about the metals d-band centre shift and the segregation. It also attempts to suggest new alloys combinations. For example, for the methanol oxidation, the best catalyst is Pt-Ru and the following features make this catalyst stand out: the d-band centre of Pt shifts down what supposes weaker molecules adsorption and Pt strongly segregates. From this analysis, it is suggested that the Pd-Ni alloy may be a potentially good catalyst. Similar interpretations are given for the three fuel cell systems regarded in the present paper.

  6. Liquid Supercoolability and Synthesis Kinetics of Quinary Refractory High-entropy Alloy

    Science.gov (United States)

    Wang, W. L.; Hu, L.; Yang, S. J.; Wang, A.; Wang, L.; Wei, B.

    2016-11-01

    The high-entropy configuration of equiatomic multicomponent alloys opens an effective access to the development of advanced materials. Here we report the synthesis of a new quinary refractory WMoTaNbZr high-entropy alloy under electrostatic levitation condition. It showed a high liquidus temperature of 2686 K and achieved a maximum supercooling of 640 K (0.24 TL) at molten state. The containerless measurements revealed a linear increasing tendency for both its liquid state density and the specific heat to emissivity ratio versus alloy supercooling. A high-entropy body-centered cubic (HEB) phase dominated its phase constitution despite the formation of a negligible amount of solid solution (Zr) phase. The dendritic growth of HEB phase always governed the crystallization process, attained a fastest growth velocity of 13.5 m/s and displayed a power function relation to alloy supercooling. The high speed videographic research of recalescence phenomenon indicated Johnson-Mehl-Avrami type transition kinetics for its rapid solidification process. As supercooling increases, the microstructures of primary HEB phase were refined conspicuously and exhibited an obvious solute trapping effect of the segregative Zr component. Meanwhile, the Vickers hardness of HEB phase displayed the rising tendency with supercooling.

  7. Liquid oxygen LOX compatibility evaluations of aluminum lithium (Al-Li) alloys: Investigation of the Alcoa 2090 and MMC weldalite 049 alloys

    Science.gov (United States)

    Diwan, Ravinder M.

    1989-01-01

    The behavior of liquid oxygen (LOX) compatibility of aluminum lithium (Al-Li) alloys is investigated. Alloy systems of Alcoa 2090, vintages 1 to 3, and of Martin Marietta Corporation (MMC) Weldalite 049 were evaluated for their behavior related to the LOX compatibility employing liquid oxygen impact test conditions under ambient pressures and up to 1000 psi. The developments of these aluminum lithium alloys are of critical and significant interest because of their lower densities and higher specific strengths and improved mechanical properties at cryogenic temperatures. Of the different LOX impact tests carried out at the Marshall Space Flight Center (MSFC), it is seen that in certain test conditions at higher pressures, not all Al-Li alloys are LOX compatible. In case of any reactivity, it appears that lithium makes the material more sensitive at grain boundaries due to microstructural inhomogeneities and associated precipitate free zones (PFZ). The objectives were to identify and rationalize the microstructural mechanisms that could be relaxed to LOX compatibility behavior of the alloy system in consideration. The LOX compatibility behavior of Al-Li 2090 and Weldalite 049 is analyzed in detail using microstructural characterization techniques with light optical metallography, scanning electron microscopy (SEM), electron microprobe analysis, and surface studies using secondary ion mass spectrometry (SIMS), electron spectroscopy in chemical analysis (ESCA) and Auger electron spectroscopy (AES). Differences in the behavior of these aluminum lithium alloys are assessed and related to their chemistry, heat treatment conditions, and microstructural effects.

  8. Investigations of linear contraction and shrinkage stresses development in hypereutectic al-si binary alloys

    Directory of Open Access Journals (Sweden)

    J. Mutwil

    2009-07-01

    Full Text Available Shrinkage phenomena during solidification and cooling of hypereutectic aluminium-silicon alloys (AlSi18, AlSi21 have been examined. A vertical shrinkage rod casting with circular cross-section (constant or fixed: tapered has been used as a test sample. Two type of experiments have been conducted: 1 on development of the test sample linear dimension changes (linear expansion/contraction, 2 on development of shrinkage stresses in the test sample. By the linear contraction experiments the linear dimension changes of the test sample and the metal test mould as well a temperature in six points of the test sample have been registered. By shrinkage stresses examination a shrinkage tension force and linear dimension changes of the test sample as well a temperature in three points of the test sample have been registered. Registered time dependences of the test bar and the test mould linear dimension changes have shown, that so-called pre-shrinkage extension has been mainly by mould thermal extension caused. The investigation results have shown that both: the linear contraction as well as the shrinkage stresses development are evident dependent on metal temperature in a warmest region the sample (thermal centre.

  9. The effect of peptone on the structure of electrodeposited Sn-Fe binary alloys

    Energy Technology Data Exchange (ETDEWEB)

    Lak, G. B. [Glasgow Caledonian University (United Kingdom); Sziráki, L.; Kuzmann, E., E-mail: Kuzmann@caesar.elte.hu; Stichleutner, S. [Eötvös Loránd University, Institute of Chemistry, Pázmány Péter sétány 1/A (Hungary); Chisholm, C. U.; El-Sharif, M. [Glasgow Caledonian University (United Kingdom); Varga, G.; Havancsák, K. [Eötvös Loránd University, Institute of Physics, Pázmány Péter sétány 1/A (Hungary); Homonnay, Z. [Eötvös Loránd University, Institute of Chemistry, Pázmány Péter sétány 1/A (Hungary)

    2016-12-15

    Sn-Fe thin films were electrodeposited by constant current deposition on copper substrates using an aqueous gluconate based electrolyte with varying concentrations of the organic additive peptone. Good quality metallic deposits were obtained with surface morphologies which varied with the concentration of peptone present in the electrolyte. The effect of peptone concentration on the deposition process was studied using electrochemical polarization curves and EDX analysis. The effect of peptone concentration on deposit structure and surface morphology was investigated by X-ray diffraction (XRD), scanning electron microscopy (SEM) and {sup 57}Fe and {sup 119}Sn conversion electron Mössbauer spectroscopy (CEMS). It was concluded that the addition of small amounts of peptone to the electrolyte slightly increased the bath stability and led to changes in the alloy composition of the electrodeposits. It was found that increases in the peptone content increased the amount of the crystalline structure in the deposits with corresponding reductions in the amounts of amorphous structure present in the deposits.

  10. The effect of peptone on the structure of electrodeposited Sn-Fe binary alloys

    Science.gov (United States)

    Lak, G. B.; Sziráki, L.; Kuzmann, E.; Stichleutner, S.; Chisholm, C. U.; El-Sharif, M.; Varga, G.; Havancsák, K.; Homonnay, Z.

    2016-12-01

    Sn-Fe thin films were electrodeposited by constant current deposition on copper substrates using an aqueous gluconate based electrolyte with varying concentrations of the organic additive peptone. Good quality metallic deposits were obtained with surface morphologies which varied with the concentration of peptone present in the electrolyte. The effect of peptone concentration on the deposition process was studied using electrochemical polarization curves and EDX analysis. The effect of peptone concentration on deposit structure and surface morphology was investigated by X-ray diffraction (XRD), scanning electron microscopy (SEM) and 57Fe and 119Sn conversion electron Mössbauer spectroscopy (CEMS). It was concluded that the addition of small amounts of peptone to the electrolyte slightly increased the bath stability and led to changes in the alloy composition of the electrodeposits. It was found that increases in the peptone content increased the amount of the crystalline structure in the deposits with corresponding reductions in the amounts of amorphous structure present in the deposits.

  11. Short-range order types in binary alloys: A reflection of coherent phase stability

    Energy Technology Data Exchange (ETDEWEB)

    W. Wolverton; V. Ozolins; Alex Zunger

    1999-11-23

    The short-range order (SRO) present in disordered solid solutions is classified according to three characteristic system-dependent energies: (1) formation enthalpies of ordered compounds, (2) enthalpies of mixing of disordered alloys, and (3) the energy of coherent phase separation, (the composition-weighted energy of the constituents each constrained to maintain a common lattice constant along an A/B interface). These energies are all compared against a common reference, the energy of incoherent phase separation (the composition-weighted energy of the constituents each at their own equilibrium volumes). Unlike long-range order (LRO), short-range order is determined by energetic competition between phases at a fixed composition, and hence only coherent phase-separated states are of relevance for SRO. The authors find five distinct SRO types, and show examples of each of these five types, including Cu-Au, Al-Mg, GaP-InP, Ni-Au, and Cu-Ag. The SRO is calculated from first-principles using the mixed-space cluster expansion approach combined with Monte Carlo simulations. Additionally, they examine the effect of inclusion of coherency strain in the calculation of SRO, and specifically examine the appropriate functional form for accurate SRO calculations.

  12. Interatomic potential for the compound-forming Li–Pb liquid alloy

    Energy Technology Data Exchange (ETDEWEB)

    Fraile, Alberto, E-mail: albertofrailegarcia@gmail.com [Instituto de Fusión Nuclear, ETSI Industriales, Universidad Politécnica de Madrid, Jose Gutierrez Abascal 2, 28006 Madrid (Spain); Cuesta-López, Santiago, E-mail: scuesta@ubu.es [Universidad de Burgos, Parque Científico I+D+I, Plaza Misael Bañuelos s/n, 09002 Burgos (Spain); Caro, Alfredo; Schwen, Daniel [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Manuel Perlado, J. [Instituto de Fusión Nuclear, ETSI Industriales, Universidad Politécnica de Madrid, Jose Gutierrez Abascal 2, 28006 Madrid (Spain)

    2014-05-01

    Atomistic simulations of liquid alloys face the challenge of correctly modeling basic thermodynamic properties. In this work we present an interatomic potential for this system, as well as a study of physical properties of Li–Pb alloys. Despite the complexity due to Li–Pb being a compound forming system where charge transfer is expected, we show here how the empirical EAM formalism is able to satisfactorily describe several physical properties in a wide range of Li concentration. Application of our potential to Li–Pb eutectic allows us to correctly predict many physical properties observed experimentally and calculated with ab initio techniques, providing in this way a potential suitable for future studies in the context of tritium breeder blanket designs in Fusion technology.

  13. Intermediate strength alloys for high temperature service in liquid-salt cooled energy systems

    Energy Technology Data Exchange (ETDEWEB)

    Muralidharan, Govindarajan; Wilson, Dane Francis; Holcomb, David Eugene

    2017-06-20

    An alloy consists essentially of, in terms of weight percent: 6 to 8.5 Cr, 5.5 to 13.5 Mo, 0.4 to 7.5 W, 1 to 2 Ti, 0.7 to 0.85 Mn, 0.05 to 0.3 Al, up to to 0.1 Co, 0.08 to 0.5 C, 1 to 5 Ta, 1 to 4 Nab, 1 to 3 Hf, balance Ni. The alloy is characterized by, at 850.degree. C., a yield strength of at least 36 Ksi, a tensile strength of at least 40 Ksi, a creep rupture life at 12 Ksi of at least 72.1 hours, and a corrosion rate, expressed in weight loss [g/(cm2sec)].times.10.sup.-11 during a 1000 hour immersion in liquid FLiNaK at 850.degree. C., in the range of 8 to 25.

  14. Intermediate strength alloys for high temperature service in liquid-salt cooled energy systems

    Energy Technology Data Exchange (ETDEWEB)

    Muralidharan, Govindarajan; Wilson, Dane Francis; Holcomb, David Eugene

    2017-06-20

    An alloy is composed essentially of, in terms of weight percent: 6 to 8.5 Cr, 5.5 to 13.5 Mo, 0.4 to 7.5 W, 1 to 2 Ti, 0.7 to 0.85 Mn, 0.05 to 0.3 Al, 0.08 to 0.5 C, 0 to 1 Nb, with the balance Ni, the alloy being characterized by, at 850.degree. C., a yield strength of at least 25 Ksi, a tensile strength of at least 30 Ksi, a creep rupture life at 12 Ksi of at least 45 hours, and a corrosion rate, expressed in weight loss [g/(cm.sup.2 sec)]10.sup.-11 during a 1000 hour immersion in liquid FLiNaK at 850.degree. C., in the range of 6 to 39.

  15. In-situ high-energy X-ray diffraction investigation on stress-induced martensitic transformation in Ti-Nb binary alloys

    Energy Technology Data Exchange (ETDEWEB)

    Chang, L. L.; Wang, Y. D.; Ren, Y.

    2016-01-10

    Microstructure evolution, mechanical behaviors of cold rolled Ti-Nb alloys with different Nb contents subjected to different heat treatments were investigated. Optical microstructure and phase compositions of Ti-Nb alloys were characterized using optical microscopy and X-ray diffractometre, while mechanical behaviors of Ti-Nb alloys were examined by using tension tests. Stress-induced martensitic transformation in a Ti-30. at%Nb binary alloy was in-situ explored by synchrotron-based high-energy X-ray diffraction (HE-XRD). The results obtained suggested that mechanical behavior of Ti-Nb alloys, especially Young's modulus was directly dependent on chemical compositions and heat treatment process. According to the results of HE-XRD, α"-V1 martensite generated prior to the formation of α"-V2 during loading and a partial reversible transformation from α"-V1 to β phase was detected while α"-V2 tranformed to β completely during unloading.

  16. Binary Solvents Dispersive Liquid—Liquid Microextraction (BS-DLLME) Method for Determination of Tramadol in Urine Using High-Performance Liquid Chromatography

    Science.gov (United States)

    2014-01-01

    Background Tramadol is an opioid, synthetic analog of codeine and has been used for the treatment of acute or chronic pain may be abused. In this work, a developed Dispersive liquid liquid microextraction (DLLME) as binary solvents-based dispersive liquid-liquid microextraction (BS-DLLME) combined with high performance liquid chromatography (HPLC) with fluorescence detection (FD) was employed for determination of tramadol in the urine samples. This procedure involves the use of an appropriate mixture of binary extraction solvents (70 μL CHCl3 and 30 μL ethyl acetate) and disperser solvent (600 μL acetone) for the formation of cloudy solution in 5 ml urine sample comprising tramadol and NaCl (7.5%, w/v). After centrifuging, the small droplets of extraction solvents were precipitated. In the final step, the HPLC with fluorescence detection was used for determination of tramadol in the precipitated phase. Results Various factors on the efficiency of the proposed procedure were investigated and optimized. The detection limit (S/N = 3) and quantification limit (S/N = 10) were found 0.2 and 0.9 μg/L, respectively. The relative standard deviations (RSD) for the extraction of 30 μg L of tramadol was found 4.1% (n = 6). The relative recoveries of tramadol from urine samples at spiking levels of 10, 30 and 60 μg/L were in the range of 95.6 – 99.6%. Conclusions Compared with other methods, this method provides good figures of merit such as good repeatability, high extraction efficiency, short analysis time, simple procedure and can be used as microextraction technique for routine analysis in clinical laboratories. PMID:24495475

  17. Phase separation and rapid solidification of liquid Cu60Fe30Co10 ternary peritectic alloy

    Institute of Scientific and Technical Information of China (English)

    DAI FuPing; CAO ChongDe; WEI BingBo

    2007-01-01

    The metastable liquid phase separation and rapid solidification of Cu60Fe30Co10 ternary peritectic alloy were investigated by using the drop tube technique and the differential scanning calorimetry method. It was found that the critical temperature of metastable liquid phase separation in this alloy is 1623.5 K, and the two separated liquid phases solidify as Cu(Fe,Co) and Fe(Cu,Co) solid solutions, respectively. The undercooling and cooling rate of droplets processed in the drop tube increase with the decrease of their diameters. During the drop tube processing, the structural morphologies of undercooled droplets are strongly dependent on the cooling rate. With the increase of the cooling rate, Fe(Cu,Co) spheres are refined greatly and become uniformly dispersed in the Cu-rich matrix. The calculations of Marangoni migration velocity (VM) and Stokes motion velocity (VS) of Fe(Cu,Co) droplets indicated that Marangoni migration contributes more to the coarsening and congregation of the minor phase during free fall. At the same undercooling, the VM/VS ratio increases drastically as Fe(Cu,Co) droplet size decreases. On the other hand, a larger undercooling tends to increase the VM/VS value for Fe(Cu,Co) droplets with the same size.

  18. Phase separation and rapid solidification of liquid Cu60Fe30Co10 ternary peritectic alloy

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    The metastable liquid phase separation and rapid solidification of Cu60Fe30Co10 ternary peritectic alloy were investigated by using the drop tube technique and the differential scanning calorimetry method. It was found that the critical temperature of metastable liquid phase separation in this alloy is 1623.5 K, and the two sepa- rated liquid phases solidify as Cu(Fe,Co) and Fe(Cu,Co) solid solutions, respec- tively. The undercooling and cooling rate of droplets processed in the drop tube increase with the decrease of their diameters. During the drop tube processing, the structural morphologies of undercooled droplets are strongly dependent on the cooling rate. With the increase of the cooling rate, Fe(Cu,Co) spheres are refined greatly and become uniformly dispersed in the Cu-rich matrix. The calculations of Marangoni migration velocity (VM) and Stokes motion velocity (VS) of Fe(Cu,Co) droplets indicated that Marangoni migration contributes more to the coarsening and congregation of the minor phase during free fall. At the same undercooling, the VM/VS ratio increases drastically as Fe(Cu,Co) droplet size decreases. On the other hand, a larger undercooling tends to increase the VM/VS value for Fe(Cu,Co) drop- lets with the same size.

  19. Enthalpy of mixing of liquid Cu-Fe-Hf alloys at 1873 K

    Energy Technology Data Exchange (ETDEWEB)

    Agraval, Pavel; Turchanin, Mikhail [Donbass State Engineering Academy, Kramatorsk (Ukraine). Metallurgical Dept.; Dreval, Liya [Donbass State Engineering Academy, Kramatorsk (Ukraine). Metallurgical Dept.; Materials Science International Services GmbH (MSI), Stuttgart (Germany)

    2016-12-15

    In the ternary Cu-Fe-Hf system, the mixing enthalpies of liquid alloys were investigated at 1873 K using a high-temperature isoperibolic calorimeter. The experiments were performed along the sections x{sub Cu}/x{sub Fe} = 3/1, 1/1 at x{sub Hf} = 0-0.47 and along the section x{sub Cu}/x{sub Fe} = 1/3 at x{sub Hf} = 0-0.13. The limiting partial enthalpies of mixing of undercooled liquid hafnium in liquid Cu-Fe alloys, Δ{sub mix} anti H{sub Hf}{sup ∞}, are (-122 ± 9) kJ mol{sup -1} (section x{sub Cu}/x{sub Fe} = 3/1), (-106 ± 9) kJ mol{sup -1} (section x{sub Cu}/x{sub Fe} = 1/1), and (-105 ± 2) kJ mol{sup -1} (section x{sub Cu}/x{sub Fe} = 1/3). In the investigated composition range, the integral mixing enthalpies are sign-changing. For the integral mixing enthalpy, an analytical expression was obtained by the least squares fit of the experimental results using the Redlich-Kister-Muggianu polynomial.

  20. Structure factors and phonon dispersion in liquid Li0.61Na0.39 alloy

    Indian Academy of Sciences (India)

    Arun Pratap; Kirit N Lad; K G Raval

    2004-08-01

    The phonon spectra for liquid Li and Na have been computed through the phenomenological model of Bhatia and Singh for disordered systems like liquids and glasses and the obtained results have been compared with the available data obtained by inelastic neutron scattering (INS) and inelastic X-ray scattering (IXS) experiments. The effective pair potentials and their space derivatives are important ingredients in the computation of the dispersion curves. The pair potentials are obtained using the pseudo-potential theory. The empty core model proposed by Ashcroft is widely used for pseudo-potential calculations for alkali metals. But, it is thought to be unsuitable for Li because of its simple 1s electronic structure. However, it can be used with an additional term known as Born–Mayer (BM) core term. The influence of the BM core term on the phonon dispersion is discussed. The same pseudo-potential formalism has been employed to obtain the dispersion relation in liquid Li0.61Na0.39 alloy. Apart from the phonon spectra, the Ashcroft–Langreth structure factors in the alloy are derived in the Percus–Yevick approximation.

  1. Experimental determination and prediction of (solid+liquid) phase equilibria for binary mixtures of heavy alkanes and fatty acids

    Science.gov (United States)

    Benziane, Mokhtar; Khimeche, Kamel; Dahmani, Abdellah; Nezar, Sawsen; Trache, Djalal

    2012-06-01

    Solid-liquid equilibria for three binary mixtures, n-Eicosane (1) + Lauric acid (2), n-Tetracosane (1) + Stearic acid (2), and n-Octacosane (1) + Palmitic acid (2), were measured using a differential scanning calorimeter. Simple eutectic behaviour was observed for these systems. The experimental results were correlated by means of the modified UNIFAC (Larsen and Gmehling versions), UNIQUAC and ideal models. The root-mean-square deviations of the solubility temperatures for all measured data vary from 0.26 to 3.15 K and depend on the particular model used. The best solubility correlation was obtained with the UNIQUAC model.

  2. Corrosion and cracking behaviour of steel and alloys in liquid H{sub 2}S

    Energy Technology Data Exchange (ETDEWEB)

    Longaygue, X. [Institut Francais du Petrole, 1 et 4 avenue de Bois Preau 92852 Rueil-Malmaison (France); Duval, S. [Institut Francais du Petrole, BP no 3, 69390 Vernaison (France)

    2004-07-01

    When oil and gas wells with very high partial pressure of H{sub 2}S, e.g. H{sub 2}S-rich gas, are under production, the presence of liquid H{sub 2}S is highly probable in the process operations. Until now, corrosion engineers and materials designers have paid little attention to this situation because it is rarely encountered in practice. However, such a scenario recently met an increasing interest in the context of the Sprex development, a new H{sub 2}S pre-extraction process used for the treatment of very sour natural gases, which produces the separated acid gases as a liquid phase for re-injection to a disposal reservoir. It is generally accepted that pure liquid H{sub 2}S is not corrosive by itself towards carbon or low alloy steels, but the presence of water in production and reservoir fluids could make this medium much more corrosive, although this latter assumption is poorly documented. The aim of this paper is to present the corrosion and cracking behaviour of a pipeline carbon steel and of corrosion resistant alloys (CRA) (with Cr > 16%) after exposure to the following media: i) liquid H{sub 2}S saturated with water, and ii) liquid H{sub 2}O saturated with H{sub 2}S. For both solutions, the addition of solid sulphur on some specimens was considered to take into account the possible introduction of oxygen into the system, followed by a reaction with H{sub 2}S. The tests were performed at 80 deg. C in a laboratory autoclave where both phases coexisted, using U-bend specimens as well as rectangular corrosion coupons. The main conclusion of this study is that liquid H{sub 2}S is rather less critical for corrosion and cracking of construction alloys than 'classical' sour solutions, like H{sub 2}S-saturated water. As a consequence, the materials selection will be governed by the same criteria, with the following alternatives: i) use of carbon steels in conjunction with corrosion inhibitors, e.g. higher operation expense; or ii) selection of a CRA

  3. Simulation of self-assembled nanopatterns in binary alloys on the fcc(111) surface

    Energy Technology Data Exchange (ETDEWEB)

    Weber, Sebastian

    2008-07-01

    results of growth simulations are presented. At first, we introduce a model in order to realize off-lattice Kinetic Monte Carlo simulations. Since the costs in simulation time are enormous, some simplifications in the calculation of diffusion barriers are necessary and therefore the previous model is supplemented with some elements from the so-called ball and spring model. The next point is devoted to the calculation of energy barriers followed by the presentation of the growth simulations. Binary systems with only one sort of adsorbate are investigated as well as ternary systems with two different adsorbates. Finally, a comparison to the equilibrium simulations is drawn. Chapter 6 contains some concluding remarks and gives an outlook to possible further investigations. (orig.)

  4. Measurement and modeling of high-pressure (vapour + liquid) equilibria of (CO{sub 2} + alcohol) binary systems

    Energy Technology Data Exchange (ETDEWEB)

    Gutierrez, Jorge E.; Bejarano, Arturo [Departamento de Ingenieria Quimica y Ambiental, Universidad Tecnica Federico Santa Maria, Avda. Espana 1680, Valparaiso (Chile); Fuente, Juan C. de la, E-mail: juan.delafuente@usm.c [Departamento de Ingenieria Quimica y Ambiental, Universidad Tecnica Federico Santa Maria, Avda. Espana 1680, Valparaiso (Chile); Centro Regional de Estudios en Alimentos Saludables, Blanco 1623, Valparaiso (Chile)

    2010-05-15

    An apparatus based on a static-analytic method assembled in this work was utilized to perform high pressure (vapour + liquid) equilibria measurements with uncertainties estimated at <5%. Complementary isothermal (vapour + liquid) equilibria results are reported for the (CO{sub 2} + 1-propanol), (CO{sub 2} + 2-methyl-1-propanol), (CO{sub 2} + 3-methyl-1-butanol), and (CO{sub 2} + 1-pentanol) binary systems at temperatures of (313, 323, and 333) K, and at pressure range of (2 to 12) MPa. For all the (CO{sub 2} + alcohol) systems, it was visually monitored to insure that there was no liquid immiscibility at the temperatures and pressures studied. The experimental results were correlated with the Peng-Robinson equation of state using the quadratic mixing rules of van der Waals with two adjustable parameters. The calculated (vapour + liquid) equilibria compositions were found to be in good agreement with the experimental values with deviations for the mol fractions <0.12 and <0.05 for the liquid and vapour phase, respectively.

  5. First-principles study of the structural and dynamic properties of the liquid and amorphous Li-Si alloys.

    Science.gov (United States)

    Chiang, Han-Hsin; Lu, Jian-Ming; Kuo, Chin-Lung

    2016-01-21

    We have performed density functional theory calculations and ab initio molecular dynamics to investigate the structures and dynamic properties of the liquid and amorphous LixSi alloys over a range of composition from x = 1.0 - 4.8. Our results show that Si atoms can form a variety of covalently bonded polyanions with diverse local bonding structures in the liquid alloys. Like in c-LiSi, Si atoms can form a continuous bond network in liquid Li1.0Si at 1050 K, while it gradually disintegrates into many smaller Si polyanions as the Li content increases in the alloys. The average sizes of Si polyanions in these liquid alloys were found to be relatively larger than those in their crystalline counterparts, which can even persist in the highly lithiated Li4.81Si alloy at 1500 K. Our results also show that amorphous LixSi alloys have similar local bonding structures but a largely increased short-range order as compared to their liquid counterparts. The differences between the average coordination number of each atomic pair in amorphous solids and that in the liquids are less than 1.1. Furthermore, our calculations reveal that Li and Si atoms can exhibit very distinct dynamic behaviors in the liquids and their diffusivities appear to be largely dependent on the chemical composition of the alloys. The diffusivity of Li was found to increase with the Li content in the alloys primarily because of the reduced interactions between Li and Si atoms, while the Si diffusivity also increases due to the gradual disintegration of the strongly interconnected Si bond network. The diffusivity of Li in amorphous LixSi was predicted to lie in the range between 10(-7) and 10(-9) cm(2)/s at 300 K, which is more than 20-fold larger than that of Si over the composition range considered. Our calculations further show that the diffusivities of both Li and Si can increase by two orders of magnitude as x increases from 1.0 to 3.57 in amorphous LixSi, indicating a more profound dependence on the

  6. First-principles study of the structural and dynamic properties of the liquid and amorphous Li–Si alloys

    Energy Technology Data Exchange (ETDEWEB)

    Chiang, Han-Hsin; Kuo, Chin-Lung, E-mail: chinlung@ntu.edu.tw [Department of Materials Science and Engineering, National Taiwan University, Taipei 10617, Taiwan (China); Lu, Jian-Ming [National Center for High-Performance Computing, Tainan 74147, Taiwan (China)

    2016-01-21

    We have performed density functional theory calculations and ab initio molecular dynamics to investigate the structures and dynamic properties of the liquid and amorphous Li{sub x}Si alloys over a range of composition from x = 1.0 − 4.8. Our results show that Si atoms can form a variety of covalently bonded polyanions with diverse local bonding structures in the liquid alloys. Like in c-LiSi, Si atoms can form a continuous bond network in liquid Li{sub 1.0}Si at 1050 K, while it gradually disintegrates into many smaller Si polyanions as the Li content increases in the alloys. The average sizes of Si polyanions in these liquid alloys were found to be relatively larger than those in their crystalline counterparts, which can even persist in the highly lithiated Li{sub 4.81}Si alloy at 1500 K. Our results also show that amorphous Li{sub x}Si alloys have similar local bonding structures but a largely increased short-range order as compared to their liquid counterparts. The differences between the average coordination number of each atomic pair in amorphous solids and that in the liquids are less than 1.1. Furthermore, our calculations reveal that Li and Si atoms can exhibit very distinct dynamic behaviors in the liquids and their diffusivities appear to be largely dependent on the chemical composition of the alloys. The diffusivity of Li was found to increase with the Li content in the alloys primarily because of the reduced interactions between Li and Si atoms, while the Si diffusivity also increases due to the gradual disintegration of the strongly interconnected Si bond network. The diffusivity of Li in amorphous Li{sub x}Si was predicted to lie in the range between 10{sup −7} and 10{sup −9} cm{sup 2}/s at 300 K, which is more than 20-fold larger than that of Si over the composition range considered. Our calculations further show that the diffusivities of both Li and Si can increase by two orders of magnitude as x increases from 1.0 to 3.57 in amorphous Li

  7. Wettability in the liquid Cu-Ag alloy – fireproof material – gas phase system

    Directory of Open Access Journals (Sweden)

    G. Siwiec

    2013-07-01

    Full Text Available In the present paper, results of wettability studies on the liquid metal – fireproof material – gas phase system using copper and Cu-Ag alloys as well as typical fireproof materials, i.e. aluminium oxide, magnesium oxide and graphite, are presented. Contact angle measurements were conducted at 1 373–1 573 K by means of a high-temperature microscope coupled with a camera and a computer equipped with a program for recording and analysing images. For the measurements, the sessile drop method was used.

  8. Interfacial reactions between solid Ni and liquid Sn-Zn alloys

    Directory of Open Access Journals (Sweden)

    Gandova V.

    2015-01-01

    Full Text Available The limitation of the harmful lead-containing solders used in the electronics and other industry applications change lead with another metals. Interfacial reactions between Sn-Zn alloys and Ni substrate after annealing at 400 and 450°C were studied. Three intermetallic compounds Ni3Sn4, T1, γ-Ni5Zn21 and liquid Sn were observed in the Ni/Sn-Zn diffusion couples. Scanning electron microscope was used for the investigation of the microstructure. The microhardness measurement of the intermetallic layers was also performed.

  9. Mephisto - Research equipment for the study of solid/liquid interface destabilization in metal alloys

    Science.gov (United States)

    Favier, J. J.; Malmejac, Y.; Praizey, J. P.; Cambon, G.; Barillot, R.; Changeart, F. J.

    1982-09-01

    Preliminary results of a feasiblity study of space apparatus intended for solid/liquid destabilization in metal alloys, the Mephisto project, are presented. The phenomena that Mephisto will observe, the parameters it will measure, and the scientific studies that it will perform are stated. A general description is given of the instrument, its experimental tubes, and the experiment process. The environmental and thermal constraints, electrical characteristics, and the characteristics of the different signals are outlined. Finally, the requirements of the payload interfaces on which the equipment will be mounted are set forth, including mechanical/geometrical interfaces, thermal interfaces, and electrical interfaces.

  10. Design and testing of electrochemical oxygen sensors for service in liquid lead alloys

    Energy Technology Data Exchange (ETDEWEB)

    Schroer, Carsten, E-mail: carsten.schroer@kit.edu [Karlsruher Institut fuer Technologie (KIT), Institut fuer Angewandte Materialien - Werkstoffprozesstechnik (IAM-WPT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Konys, Juergen [Karlsruher Institut fuer Technologie (KIT), Institut fuer Angewandte Materialien - Werkstoffprozesstechnik (IAM-WPT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Verdaguer, Ariadna; Abella, Jordi [Universitat Ramon Llull, Institut Quimic de Sarria (IQS), Via Augusta, 390, 08017 Barcelona (Spain); Gessi, Alessandro [Agenzia nazionale per le nuove tecnologie, l' energia e lo sviluppo economico sostenibile (ENEA), Centro ricercho Brasimone, FISING, 40032 Camugnano (Bologna) (Italy); Kobzova, Alena; Babayan, Stella [Nuclear Research Institute Rez plc (NRI), Division of Integrity and Technical Engineering, Husinec-Rez 130, 250 68 Rez (Czech Republic); Courouau, Jean-Louis [CEA, DEN, DPC, SCCME, Laboratoire d' Etude de la Corrosion Non Aqueuse, F-91191 Gif-sur-Yvette (France)

    2011-08-31

    Electrochemical oxygen sensors currently used for measuring the chemical potential of oxygen in liquid lead alloys were investigated by five European laboratories, focussing on factors influencing the accuracy of the sensor output, the long-term performance in experimental facilities and methods of testing the sensors before installation and during operation in a plant. The design of different electrochemical oxygen sensors is introduced, along with the experimentally determined sensor reliability and appropriate testing methods. The reported results summarize the results of Task 4.2.4 within Domain 4 (DEMETRA) of the integrated project (IP) EUROTRANS that was funded by the EURATOM 6th Framework Programme.

  11. Multi-Scale Study of the Static Structure of Liquid Li70-Bi30 Alloy

    Directory of Open Access Journals (Sweden)

    Bove L.E.

    2011-05-01

    Full Text Available A multi-scale approach is applied to study the static structure of Li70-Bi30 liquid alloy. In order to describe the interatomic interactions in this non-simple metal, we make a set of three empirical pair potentials fit ab-initio computations of the forces and energy in this system. Large scale classical simulations are performed using these fitted potentials from which the partial and total structures are computed. These results are validated by comparison with new experimental neutron data. The partial structure clearly indicates heterocoordination, which is consistent with a marked ionic nature of the bonding, in agreement with earlier electrical resistivity measurements.

  12. Efficiency enhancement of dye-sensitized solar cells with addition of additives (single/binary) to ionic liquid electrolyte

    Indian Academy of Sciences (India)

    H-S Lee; S-H Bae; C-H Han; S S Sekhon

    2012-11-01

    The effect of addition of single and binary additives on the performance of dye-sensitized TiO2 solar cells based on electrolytes containing an ionic liquid (IL), 1,2-dimethyl-3-propylimidazolium iodide (DMPII) has been studied. Among the seven additives used, the addition of 2-(dimethylamino)-pyridine (DMAP) to IL resulted in best cell efficiency, which showed further enhancement with the addition of 5-chloro-1-ethyl-2-methylimidazole (CEMI) as second additive. The efficiency of the dye-sensitized solar cell (DSC) based on an electrolyte containing binary additives (DMAP and CEMI in equal molar ratios) has been found to increase by 62.5% from 4.35 to 7.07%. The dependence of different photovoltaic performance parameters (\\oc, sc, , ) of DSC upon temperature has been studied over a 30–120°C range and only a small decrease in conversion efficiency has been observed. The electrolyte containing binary additives (DMAP and CEMI) shows best cell performance up to 120°C.

  13. Dynamic pattern formation of liquid crystals using binary self-assembled monolayers on an ITO surface under DC voltage.

    Science.gov (United States)

    Ishida, Takao; Oyama, Makiko; Terada, Kei-ichi; Haga, Masa-aki

    2014-12-07

    There have been numerous studies of liquid crystal (LC) convection using sandwich-type LC cells under AC voltage. In contrast to previous LC convection studies under AC voltage, we propose the use of a binary self-assembled monolayer (SAM) with a redox-active Ru complex and insulating octadecyl phosphonic acid (C18) molecules on an indium tin oxide (ITO) surface as the electrode of sandwich-type LC cells under DC bias voltage. This is because the functionalized molecules immobilized on the ITO surface are expected to control the LC orientation and electrical conduction of LC cells, under an exact DC bias voltage. We successfully achieved LC pattern formation using ITO electrodes with binary SAMs in LC cells. Moreover, we confirmed that the LC pattern size was increased by increasing the coverage of the Ru complex in binary SAMs. We consider that a combination of three factors, electrical conduction change, controlling of LC orientation in the initial stage and redox-activity of the Ru-complex, is the reason for LC convection although we cannot fully explain the distribution of these three factors. We believe that our LC pattern formation is promising for new type devices e.g., artificial compound eyes using the LC device technology.

  14. Acousto-optic effect in a nematic liquid-crystal layer under the binary effect of sound and viscous waves

    Energy Technology Data Exchange (ETDEWEB)

    Kozhevnikov, E. N., E-mail: kozhev@ssu.samara.ru [Samara State University (Russian Federation)

    2010-03-15

    The optical effect in a liquid crystal cell containing a homeotropic layer of nematic liquid crystal (NLC) is analyzed. An NLC layer, located between crossed polaroids and opaque in the absence of external effect, is cleared after irradiation by an ultrasonic beam with a sharp spatial boundary. This enlightenment is suggested to be caused by the reorientation of crystal molecules in the acoustic flows that arise under the binary effect of the layer compression in the irradiated region and the viscous waves propagating from the layer boundaries. The flows were calculated taking into account the stress caused by the velocity convection and crystal structure relaxation. An expression is derived for the cell transparency, and the relative role of the convection and relaxation processes in the effect is determined.

  15. Surface behaviour and undercooling in the liquid Ga-Bi binary system detected by optical second harmonic generation

    Institute of Scientific and Technical Information of China (English)

    王聪; 王天民

    2003-01-01

    We employ an optical second harmonic generation(SHG) technique to investigate the surfeace behaviours at the liquid(solid)/vapour interface of the Ga-Bi binary metallic system. In a heating and cooling cycle between 280℃ and room temperature, there is no change of the SH-intensity in the heating process, whereas there exists an abrupt and abnormal change of the SH-intensity in the cooling process. It is interesting to find that a macroscopic Bi-rich solid layer is floating on the surface of the Ga-rich liquid phase just below the monotectic temperature (222℃±2℃) in the cooling process, in spite of the Bi-rich phase being heavier than the Ga-rich phase. On the other hand, different undercooling behaviours are observed at the surface and in the bulk. The behaviours of surface solidification and surface melting are different from those in the bulk.

  16. Interfacial instabilities in directional solidification of dilute binary alloys: The Kuramoto-Sivashinsky equation

    Science.gov (United States)

    Novick-Cohen, A.

    1987-05-01

    Directional solidification processes in the presence of an impurity are studied in the limit in which the dimensionless parameter overlineW = {GD}/{VC}0( g + ⨍ c) is small. Here G is the imposed temperature gradient, D is the diffusion coefficient of the impurity, V is the imposed transport velocity, g is equal to minus the slope of the liquidus line, C0 is the impurity concentration at the liquid side of a planar interface, and ⨍ c is a coefficient reflecting deviations from local thermal equilibrium. The dynamics of interfacial kinetics becomes important in this limit and the phenomenological model of Coriell and Sekerka [J. Cryst. Growth 61 (1983) 499-508] is used to model these processes. In this limit, the Kuramoto-Sivashinsky equation is shown to be an asymptotically valid description of the interfacial dynamics. The Kuramoto-Sivashinsky equation is known to exhibit intermittancy superimposed on a relatively stable array of cusps or wrinkles [Michelson and Sivashinsky, Acta Astronautica 4 (1977) 1207-1221] and thus may give a reasonable limiting description of the solidification interface just before coherency is lost. These cusps may also be important in the initiation of dendritic growth by serving as defect points [Schaefer and Glicksman, Met. Trans. 1 (1970) 1973-1978].

  17. Cellular Spacing Selection During the Directional Solidification of Binary Alloys. A Numerical Approach

    Science.gov (United States)

    Catalina, Adrian V.; Sen, S.; Rose, M. Franklin (Technical Monitor)

    2001-01-01

    The evolution of cellular solid/liquid interfaces from an initially unstable planar front was studied by means of a two-dimensional computer simulation. The developed numerical model makes use of an interface tracking procedure and has the capability to describe the dynamics of the interface morphology based on local changes of the thermodynamic conditions. The fundamental physics of this formulation was validated against experimental microgravity results and the predictions of the analytical linear stability theory. The performed simulations revealed that in certain conditions, based on a competitive growth mechanism, an interface could become unstable to random perturbations of infinitesimal amplitude even at wavelengths smaller than the neutral wavelength, lambda(sub c), predicted by the linear stability theory. Furthermore, two main stages of spacing selection have been identified. In the first stage, at low perturbations amplitude, the selection mechanism is driven by the maximum growth rate of instabilities while in the second stage the selection is influenced by nonlinear phenomena caused by the interactions between the neighboring cells. Comparison of these predictions with other existing theories of pattern formation and experimental results will be discussed.

  18. Comparative Study of Molecular Interactions in Binary Liquid Mixtures of 4 –Methyl-2-pentanoneWith Butan-2-One, Furfuraldehyde, Cyclohexanone At 308 K

    Directory of Open Access Journals (Sweden)

    D. Ubagaramary

    2016-03-01

    Full Text Available Molecular interaction studies using ultrasonic technique in the binary liquid mixtures of 4 –Methyl-2-pentanone With Butan-2-One,Furfuraldehyde and Cyclohexanonehas been carried out at different temperature. Using the measured values of ultrasonic velocity, density and viscosity, acoustical parameters and their excess values are evaluated. From these excess parametersare used to discussing about the nature and strength of the interactions in these binary systems.

  19. High tenacity regenerated chitosan fibers prepared by using the binary ionic liquid solvent (Gly·HCl)-[Bmim]Cl.

    Science.gov (United States)

    Ma, Bomou; Qin, Aiwen; Li, Xiang; He, Chunju

    2013-09-12

    A binary ionic liquid system was confirmed to be a promising solvent to dissolve chitosan, and the regenerated chitosan fibers were prepared by wet and dry-wet spinning technique respectively. The SEM results show that the chitosan fibers prepared by wet spinning technique present striated surface and round cross section, and the chitosan fibers prepared by dry-wet spinning technique present smooth surface and irregular cross section. The mechanical testing results show that the regenerated chitosan fibers present relatively high tenacity, especially, these prepared by dry-wet spinning process present excellent strength and initial modulus, i.e. 2.1cN/dtex and 83.5cN/dtex, which is stronger than that of most reported chitosan fibers. The FT-IR results show that the dissolution of chitosan in the binary ionic liquid system is due to the protonation of NH₂ groups in the chitosan chains. Furthermore, a possible reaction during the dissolution and regeneration process is proposed.

  20. Specific heat and related thermophysical properties of liquid Fe-Cu-Mo alloy

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    The specific heat and related thermophysical properties of liquid Fe77.5Cu13Mo9.5 monotectic alloy were investigated by an electromagnetic levitation drop calo-rimeter over a wide temperature range from 1482 to 1818 K.A maximum under-cooling of 221 K(0.13 Tm)was achieved and the specific heat was determined as 44.71 J·mol1·K1.The excess specific heat,enthalpy change,entropy change and Gibbs free energy difference of this alloy were calculated on the basis of experimental results.It was found that the calculated results by traditional esti-mating methods can only describe the solidification process under low under-cooling conditions.Only the experimental results can reflect the reality under high undercooling conditions.Meanwhile,the thermal diffusivity,thermal conductivity,and sound speed were derived from the present experimental results.Furthermore,the solidified microstructural morphology was examined,which consists of(Fe)and(Cu)phases.The calculated interface energy was applied to exploring the correlation between competitive nucleation and solidification microstructure within monotectic alloy.

  1. High strength alloys for high temperature service in liquid-salt cooled energy systems

    Energy Technology Data Exchange (ETDEWEB)

    Holcomb, David E.; Muralidharan, Govindarajan; Wilson, Dane F.

    2017-01-10

    An essentially cobalt-free alloy consists essentially of, in terms of weight percent: 6.3 to 7.2 Cr, 0.5 to 2 Al, 0 to 5 Fe, 0.7 to 0.8 Mn, 9 to 12.5 Mo, 0 to 6 Ta, 0.75 to 3.5 Ti, 0.01 to 0.25 Nb, 0.2 to 0.6 W, 0.02 to 0.04 C, 0 to 0.001 B, 0.0001 to 0.002 N, balance Ni. The alloy is characterized by a .gamma.' microstructural component in the range of 3 to 17.6 weight percent of the total composition. The alloy is further characterized by, at 850.degree. C., a yield strength of at least 60 Ksi, a tensile strength of at least 70 Ksi, a creep rupture life at 12 Ksi of at least 700 hours, and a corrosion rate, expressed in weight loss [g/(cm.sup.2sec)]10.sup.-11 during a 1000 hour immersion in liquid FLiNaK at 850.degree. C., in the range of 5.5 to 17.

  2. Thermal Diffusivity and Thermal Conductivity of Five Different Steel Alloys in the Solid and Liquid Phases

    Science.gov (United States)

    Wilthan, B.; Schützenhöfer, W.; Pottlacher, G.

    2015-08-01

    The need for characterization of thermophysical properties of steel and nickel-based alloys was addressed in the FFG-Bridge Project 810999 in cooperation with a partner from industry, Böhler Edelstahl GmbH & Co KG. To optimize numerical simulations of production processes, such as remelting or plastic deformation, additional, and more accurate data were necessary for the alloys under investigation. With a fast ohmic pulse heating circuit system, the temperature-dependent specific electrical resistivity, density, and specific heat capacity for a set of five high alloyed steels were measured. Hence, using the Wiedemann-Franz law with a Lorenz number of , the thermal diffusivity and thermal conductivity could be calculated for the solid and liquid phases up to temperatures of 2500 K. This experimental approach is limited by the following requirements for the specimens: they have to be electrically conducting, the melting point has to be high enough for the implemented pyrometric temperature measurement, and one has to be able to draw wires of the material. The latter restriction is technologically challenging with some of the materials being very brittle. For all samples, electrical and temperature signals are recorded and a fast shadowgraph method is used to measure the volume expansion. For each material under investigation, a set of data including the chemical composition, the density at room temperature, solidus and liquidus temperatures, and the change of enthalpy, resistivity, density, thermal conductivity, and thermal diffusivity as a function of temperature is reported.

  3. Specific heat and related thermophysical properties of liquid Fe-Cu-Mo alloy

    Institute of Scientific and Technical Information of China (English)

    WANG HaiPeng; LUO BingChi; CHANG Jian; WEI BingBo

    2007-01-01

    The specific heat and related thermophysical properties of liquid Fe77.5Cu13Mo9.5 monotectic alloy were investigated by an electromagnetic levitation drop calorimeter over a wide temperature range from 1482 to 1818 K. A maximum undercooling of 221 K (0.13 Tm) was achieved and the specific heat was determined as 44.71 J·mol-1·K-1. The excess specific heat, enthalpy change, entropy change and Gibbs free energy difference of this alloy were calculated on the basis of experimental results. It was found that the calculated results by traditional estimating methods can only describe the solidification process under low undercooling conditions. Only the experimental results can reflect the reality under high undercooling conditions. Meanwhile, the thermal diffusivity, thermal conductivity, and sound speed were derived from the present experimental results. Furthermore, the solidified microstructural morphology was examined, which consists of (Fe) and (Cu) phases. The calculated interface energy was applied to exploring the correlation between competitive nucleation and solidification microstructure within monotectic alloy.

  4. High strength alloys for high temperature service in liquid-salt cooled energy systems

    Science.gov (United States)

    Holcomb, David E.; Muralidharan, Govindarajan; Wilson, Dane F.

    2017-01-10

    An essentially cobalt-free alloy consists essentially of, in terms of weight percent: 6.3 to 7.2 Cr, 0.5 to 2 Al, 0 to 5 Fe, 0.7 to 0.8 Mn, 9 to 12.5 Mo, 0 to 6 Ta, 0.75 to 3.5 Ti, 0.01 to 0.25 Nb, 0.2 to 0.6 W, 0.02 to 0.04 C, 0 to 0.001 B, 0.0001 to 0.002 N, balance Ni. The alloy is characterized by a .gamma.' microstructural component in the range of 3 to 17.6 weight percent of the total composition. The alloy is further characterized by, at 850.degree. C., a yield strength of at least 60 Ksi, a tensile strength of at least 70 Ksi, a creep rupture life at 12 Ksi of at least 700 hours, and a corrosion rate, expressed in weight loss [g/(cm.sup.2sec)]10.sup.-11 during a 1000 hour immersion in liquid FLiNaK at 850.degree. C., in the range of 5.5 to 17.

  5. Unusual response of the binary V-2Si alloy to neutron irradiation in FFTF at 430-600{degrees}C

    Energy Technology Data Exchange (ETDEWEB)

    Ohnuki, S.; Konoshita, H.; Takahaski, H. [Hokkaido Univ., Sapparo (Japan); Garner, F.A. [Pacific Northwest National Laboratory, Richland, WA (United States)

    1996-04-01

    When V-2Si was irradiated in FFTF at 430, 500 and 600C to doses as high as 80 dpa, a very unusual swelling response was observed in which the swelling appeared to saturate rather quickly at {approx}35% at 430 and 540C, but approached this swelling same level much more slowly at 600C. The possible causes of this phenomenon are discussed as well as the implications of these findings on the swelling behavior of other high swelling vanadium binary alloys.

  6. Thermodynamic properties of the liquid Ag-Bi-Cu-Sn lead-free solder alloys

    Directory of Open Access Journals (Sweden)

    Garzel G.

    2014-01-01

    Full Text Available The electromotive force measurement method was employed to determine the thermodynamic properties of liquid Ag-Bi-Cu-Sn alloys using solid electrolyte galvanic cells as shown below: Kanthal+Re, Ag-Bi-Cu-Sn, SnO2 | Yttria Stabilized Zirconia | air, Pt, Experiments were made within temperature interval: 950 - 1300K along four composition paths of constant ratios: XAg : XBi : XCu = 1, XAg : (XBi + XCu = 3:2 for XBi = XCu, XBi : (XAg + XCu = 3:2 for XAg = XCu and XCu : (XAg + XBi = 3:2 for XAg = XBi and tin concentration changing from 0.1 to 0.9 mole fractions, every 0.1. Almost all the results were approximated by straight line equations: EMF vs T, and tin activities were then calculated in arbitrary temperature; measurement results were presented by graphs. Unusual activity plot for XBi : (XAg + XCu = 3:2 composition path was most probably caused by miscibility gap detected earlier in Bi-Cu-Sn ternary liquid alloys.

  7. Low-temperature, vapor-liquid-solid, laterally grown silicon films using alloyed catalysts

    Science.gov (United States)

    LeBoeuf, Jerome L.; Brodusch, Nicolas; Gauvin, Raynald; Quitoriano, Nathaniel J.

    2014-12-01

    Using amorphous oxide templates known as micro-crucibles which confine a vapor-liquid-solid catalyst to a specific geometry, two-dimensional silicon thin-films of a single orientation have been grown laterally over an amorphous substrate and defects within crystals have been necked out. The vapor-liquid-solid catalysts consisted nominally of 99% gold with 1% titanium, chromium, or aluminum, and each alloy affected the processing of micro-crucibles and growth within them significantly. It was found that chromium additions inhibited the catalytic effect of the gold catalysts, titanium changed the morphology of the catalyst during processing and aluminum stabilized a potential third phase in the gold-silicon system upon cooling. Two mechanisms for growing undesired nanowires were identified both of which hindered the VLS film growth, fast silane cracking rates and poor gold etching, which left gold nanoparticles near the gold-vapor interface. To reduce the silane cracking rates, growth was done at a lower temperature while an engineered heat and deposition profile helped to reduce NWs caused by the second mechanism. Through experimenting with catalyst compositions, the fundamental mechanisms which produce concentration gradients across the gold-silicon alloy within a given micro-crucible have been proposed. Using the postulated mechanisms, micro-crucibles were designed which promote high-quality, single crystal growth of semiconductors.

  8. Influence of Liquid Structure on Solid Transformation of CuAlNi Shape Memory Alloy

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    Molten Cu-13Al and Cu-13Al-4Ni (mass fraction) alloys have been investigated using X-ray diffraction method.A distinct pre-peak has been found in the structure factors. The pre-peak increases its intensity with decreasing temperature and addition of Ni. The structural unit size corresponding to the pre-peak equals to magnitude of (111)planar distance ofβ phase. The appearance of a pre-peak is due to existence of clusters withβ-phase-like structure in melt. Quantity and size of clusters increase with decreasing temperature but their structural unit size remains constant. Cu-13Al-4Ni shape memory alloy ribbons can be fabricated by rapid solidification technique. Order degree of martensite and temperature of the reverse martensitic transformation increase with decreasing liquid quenching temperature. Β phase particles develop from incorporating and growing of the clusters during solidification, thus result in the correlation between liquid structure and solid transformation.

  9. Liquid crystalline behaviour of mixtures of structurally dissimilar mesogens in binary systems

    Indian Academy of Sciences (India)

    Jayrang S Dave; Meera R Menon; Pratik R Patel

    2002-06-01

    We have studied four binary systems comprising four ester components, viz. 4-nitrophenyl-4'--alkoxybenzoates (where -alkoxy is nbutoxy, C4, -hexyloxy, C6, -octyloxy, C8 and -decyloxy, C10) and one azo component, 4--decyloxy phenylazo-4'-isoamyloxy benzene. A variety of mesomorphic properties are observed in these mixtures. The properties of these systems are discussed on the basis of phase diagrams.

  10. A Comparative Analysis of Ultrasound Velocity in Binary Liquid Systems of PPG by Mathematical and Experimental Methods

    Science.gov (United States)

    Gayathri, A.; Venugopal, T.; Venkatramanan, K.

    The estimation of the speed of ultrasound is the fundamental requirement for investigating the transport properties of liquid and solid systems. Ultrasonic velocities of liquid mixtures containing polar and non-polar groups are of considerable importance in understanding inter-molecular interaction between component molecules and they find applications in several industrial and technological processes. There are many standard mathematical methods available to measure the ultrasonic velocity. In the present study, interferometric technique is planned for experimental measurement of ultrasound velocity. In this paper, the speed of ultrasound waves in Polypropylene Glycol (PPG 400, PPG 4000) in toluene has been estimated for different concentrations (2%, 4%, 6%, 8% & 10%) at 303K and these experimental values compared with theoretical values obtained by using various mathematical methods like Nomotto's Relation, Vandeal Vangeal Relation, Impedance Relation, and Rao's specific sound velocity. The most reliable method that matches with experimental method is identified using Average Percentage Error (APE) and analysed in the light of molecular interactions occurring in the binary liquid systems. Comparison of evaluated theoretical velocities with experimental values will reveal the nature of interaction between component molecules in the mixtures. Such theoretical study is useful in defining a comprehensive theoretical model for a specific liquid mixture. Also, various molecular interaction parameters like free volume, internal pressure, viscous relaxation time, inter atomic free length, etc are calculated and discussed in terms of polymer-solvent interactions.

  11. Cooling curve analysis in binary Al-Cu alloys: Part I- Effect of cooling rate and copper content on the eutectic formation

    Directory of Open Access Journals (Sweden)

    M. Dehnavi

    2015-09-01

    Full Text Available There are many techniques available for investigating the solidification of metals and alloys. In recent years computer-aided cooling curve analysis (CA-CCA has been used to determine thermo-physical properties of alloys, latent heat and solid fraction. In this study, the effect of cooling rate and copper addition was taken into consideration in non- equilibrium eutectic transformation of binary Al- Cu melt via cooling curve analysis. For this purpose, melts with different copper weight percent of 2.2, 3.7 and 4.8 were prepared and cooled in controlled rates of 0.04 and 0.42 °C/s. Results show that, latent heat of alloy highly depends upon the post- solidification cooling rate and composition. As copper content of alloy and cooling rate increase, achieved nonequilibrium eutectic phase increases that leads to release of high amount of latent heat and appearing of second deviation in cooling curve. This deviation can be seen in first time derivative curve in the form of a definite peak.

  12. Phase equilibria study of the binary systems (1-butyl-3-methylimidazolium thiocyanate ionic liquid + organic solvent or water).

    Science.gov (United States)

    Domańska, Urszula; Laskowska, M; Pobudkowska, Aneta

    2009-05-07

    (Solid + liquid) phase equilibria (SLE) for the binary systems, ionic liquid (IL) 1-butyl-3-methylimidazolium thiocyanate [BMIM][SCN] with an alcohol (1-octanol, 1-nonanol, 1-decanol, 1-undecanol, or 1-dodecanol) or water, and (liquid + liquid) phase equilibria (LLE) for the binary systems of [BMIM][SCN] with an alkane (n-hexane, n-heptane, n-octane, n-nonane, or n-decane), benzene, an alkylbenzenes (toluene or ethylbenzene), tetrahydrofuran (THF), cycloalkanes (cyclohexane or cycloheptane), or ethers (di-n-propyl ether, di-n-butyl ether, di-n-pentyl ether, n-butylmethyl ether, tert-butylmethyl ether (MTBE), or tert-butylethyl ether (ETBE)) have been determined at ambient pressure. A dynamic method was used over a broad range of mole fractions and temperatures from 250 to 430 K. In the case of systems IL + alkane, cycloalkane, or ether, the mutual immiscibility with an upper critical solution temperature (UCST) was detected, and in the systems of IL + benzene, alkylbenzene, or THF, the mutual immiscibility with a lower critical solution temperature (LCST) was observed. UV-vis spectroscopy was used to determine the very small compositions of the IL in the n-hexane (about 2 x 10(-5) IL mole fraction), benzene (about 2 x 10(-3) IL mole fraction), cyclohexane (about 2 x 10(-5) IL mole fraction), and THF (about 1.2 x 10(-2) IL mole fraction). For the binary systems containing alcohol, it was noticed that with increasing chain length of an alcohol, the solubility decreases. The basic thermal properties of the pure IL, that is, the glass-transition temperature as well as the heat capacity at the glass-transition temperature, have been measured using a differential scanning microcalorimetry technique (DSC). Decomposition of the IL was detected by the simultaneous TG/DTA experiments. Well-known UNIQUAC, Wilson, and NRTL equations have been used to correlate the experimental SLE data sets for alcohols and water. For the systems containing immiscibility gaps {IL + alkane

  13. Diffusion in a liquid alloy - theories and experiments; Diffusion dans un alliage liquide theories et experiences

    Energy Technology Data Exchange (ETDEWEB)

    Chastang, C. [CEA Centre d`Etudes de Saclay, 91 - Gif-sur-Yvette (France). Dept. des Procedes d`Enrichissement]|[Ecole Polytechnique Feminine France (France)

    1997-12-31

    Different theories concerning the calculation of diffusion coefficients in liquid metals, as well for auto as for hetero-diffusion are presented and some experimental procedures using tracer techniques in shear cells and capillary tubes are described. Diffusion curves are calculated with the TRIO-EF code. Calculated and measured values of diffusion coefficients are compared and discussed with regard to various diffusion mechanisms. Copper gadolinium mixtures have been investigated in more detail. (C.B.). 35 refs.

  14. Instability of the Liquid Metal-Pattern Interface in the Lost Foam Casting of Aluminum Alloys

    Science.gov (United States)

    Griffiths, W. D.; Ainsworth, M. J.

    2016-06-01

    The nature of the liquid metal-pattern interface during mold filling in the Lost Foam casting of aluminum alloys was investigated using real-time X-ray radiography for both normal expanded polystyrene, and brominated polystyrene foam patterns. Filling the pattern under the action of gravity from above or below had little effect on properties, both cases resulting in a large scatter of tensile strength values, (quantified by their Weibull Modulus). Countergravity filling at different velocities demonstrated that the least scatter of tensile strength values (highest Weibull Modulus) was associated with the slowest filling, when a planar liquid metal-pattern interface occurred. Real-time X-ray radiography showed that the advancing liquid metal front became unstable above a certain critical velocity, leading to the entrainment of the degrading pattern material and associated defects. It has been suggested that the transition of the advancing liquid metal-pattern interface into an unstable regime may be a result of Saffman-Taylor Instability.

  15. Analysis of laser alloyed surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Jacobson, D.C.; Augustyniak, W.M.; Buene, L.; Draper, C.W.; Poate, J.M.

    1981-04-01

    Surface alloys of precious metals have many advantages over bulk alloys, the most obvious of which is cost reduction due to the reduced consumption of precious metal. There are several techniques for producing surface alloys. In this paper the laser irradiation technique is presented. The following lasers: CW CO/sub 2/, Q-switched Nd-YAG, frequency double Q-switched Nd-YAG, and pulsed ruby were used to irradiate and melt thin solid films of precious metals on metal substrates. This causes the surfaces to melt to a depth of approximately 10,000A. Alloying then takes place in the liquid phase where most metals are miscible. The high quench rates obtainable by this method of melting can result in the forming of metastable alloys. This melting and regrowth process is well understood and has been discussed in the literature over the last few years. This paper deals with two binary alloy systems, Au-Ni and Pd-Ti. Surface alloys of Au-Ni with a wide range of concentrations have been produced by laser irradiation of thin Au films on Ni. These films have been analyzed using Rutherford backscattering (RBS) and channeling. Many thin film metals other than Au have also been successfully alloyed using these methods. An example of a potential application is the laser surface alloying of Pd to Ti for corrosion passivation.

  16. Phase equilibria study in binary systems (tetra-n-butylphosphonium tosylate ionic liquid + 1-alcohol, or benzene, or n-alkylbenzene).

    Science.gov (United States)

    Domańska, Urszula; Paduszyński, Kamil

    2008-09-04

    Ambient pressure (solid + liquid) equilibria (SLE) and (liquid + liquid) equilibria (LLE) of binary systems--ionic liquid (IL) tetra- n-butylphosphonium p-toluenesulfonate + 1-alcohol (1-butanol, 1-hexanol, 1-octanol, 1-decanol, or 1-dodecanol), benzene, or n-alkylbenzene (toluene, ethylbenzene, n-propylbenzene)-have been determined by using dynamic method in a broad range of mole fractions and temperatures from 250 to 335 K. For binaries containing alcohol, simple eutectic diagrams were observed with complete miscibility in the liquid phase. Only in the case of system [IL + n-propylbenzene] was mutual immiscibility with an upper critical solution temperature (UCST) with low solubility of the IL in the alcohol and high solubility of the alcohol in the IL detected. The basic thermal properties of pure IL, i.e., melting and glass-transition temperatures as well as enthalpy of melting, have been measured with differential scanning microcalorimetry technique (DSC). Well-known UNIQUAC, Wilson, NRTL, NRTL1, and NRTL2 equations have been fitted to obtain experimental data sets. For the system containing immiscibility gap [IL + n-propylbenzene], parameters of the equations have been derived only from SLE data. As a measure of goodness of correlations, root-mean square deviations of temperature have been used. These experimental results were compared to the previously measured binary systems with tetra- n-butylphosphonium methanesulfonate. Changing anion from methanesulfonate to p-toluenesulfonate decreases solubilities in systems with alcohols and increases the solubilities in binary systems with benzene and alkylbenzenes.

  17. In Situ Observation of MgO Inclusions in Liquid Iron-Aluminum Alloys

    Science.gov (United States)

    Mu, Haoyuan; Zhang, Tongsheng; Yang, Liang; Xavier, Rodrigo R.; Fruehan, Richard J.; Webler, Bryan A.

    2016-08-01

    This study showed that MgO inclusions can be stable in liquid iron with elevated Al and it illustrated an important role of vaporization in the evolution of inclusions. Previous studies have shown that dissolved Al reduces MgO from slags and refractories, leading to spinel (MgAl2O4) inclusions. The elevated Al content of newer steels raises the possibility that MgO inclusions can be stable. In this work, MgO inclusions were produced and observed in an Fe-Al alloy. The inclusions in the liquid alloy at 1873 K (1600 °C) were observed in situ with a Confocal Laser Scanning Microscope (CLSM). Two types of experiments were performed: one where only a metal sample was melted and the other where the sample was in contact with a liquid, MgO-saturated slag. When no slag was present, the MgO inclusions shrank and disappeared at 1873 K (1600 °C). No inclusions were observed in situ during cooling or in post-CLSM analysis. When the MgO-saturated slag was present, the inclusion sizes were essentially constant and MgO was observed on the surface of post-CLSM samples. Analysis of the results showed that MgO can be stable in 1873 K (1600 °C), but that its presence depends on the rate of removal of Mg due to vaporization and the supply of Mg due to slag/metal or refractory/metal reactions.

  18. Binary and ternary vapor-liquid equilibrium data of the system ethylbenzene+styrene+3-methyl-N-butylpyridinium tetracyanoborate at vacuum conditions and liquid-liquid equilibrium data of their binary systems

    NARCIS (Netherlands)

    Jongmans, Mark; Hermens, E.; Schuur, Boelo; de Haan, A.B.

    2012-01-01

    In this study, binary LLE data at 313.2, 333.2, and 353.2 K, binary VLE data in the pressure range of 3–30 kPa and ternary VLE data at 5, 10, and 15 kPa have been determined for the system ethylbenzene + styrene + [3-mebupy][B(CN)4]. The IL [3-mebupy][B(CN)4] can increase the relative volatility of

  19. Vapor-Liquid Phase Equilibria for Carbon Dioxide-I- Isopentanol Binary System at Elevated Pressure%Vapor-Liquid Phase Equilibria for Carbon Dioxide-I- Isopentanol Binary System at Elevated Pressure

    Institute of Scientific and Technical Information of China (English)

    王琳; 曹丰璞; 刘珊珊; 杨浩

    2011-01-01

    High-pressure vapor-liquid phase equilibrium data for carbon dioxide+ isopentanol were measured at tempera- tures of 313.2, 323.1, 333.5 and 343.4 K in the pressure range of 4.64 to 12.71 MPa in a variable-volume high-pressure visual cell. The experimental data were well correlated with Peng-Robinson equation of state (PR-EOS) together with van der Waals-2 two-parameter mixing rule, and the binary interaction parameters were obtained. Henry coefficients and partial molar volumes of CO2 at infinite dilution were estimated based on Krichevsky-Kasarnovsky equation, and Henry coefficients increase with increasing temperature, however, partial molar volumes of CO2 at infinite dilution are negative and the magnitudes decrease with temperature.

  20. A comparative first-principles study of the structural and electronic properties of the liquid Li-Si and Li-Ge alloys.

    Science.gov (United States)

    Chiang, Han-Hsin; Kuo, Chin-Lung

    2017-02-14

    We have performed a comparative first-principles study on the structural and electronic properties of the liquid Li1-xSix and Li1-xGex alloys over a range of composition from x = 0.09 to 0.50. Our calculations showed that Si and Ge atoms can exhibit very distinct local bonding characteristics as they were alloyed with the Li atoms in the liquid state, where Si atoms tended to form a variety of covalent bonding configurations while Ge atoms predominantly appeared as the isolated anions in the liquid alloys. These differences in bonding characteristics were reflected in their electronic density of states, in which the liquid Li1-xGex alloys have a lower degree of s-p hybridization with narrower distributions of the 3s and 3p states than the liquid Li1-xSix alloys. Our calculations also showed that the optical conductivities of these two liquid alloys can undergo a transition from the Drude-like metallic nature to the semiconductor-like character as the Si/Ge content increases from 0.09 to 0.22. However, as the Si/Ge content further increases to 0.50, the liquid Li1-xGex alloys may transit to exhibit the Drude-like metallic nature, while the liquid Li1-xSix alloys can still hold the semiconductor-like character. Moreover, our calculations revealed that the dc conductivities of these liquid alloys are predominantly determined by the number of total electronic states at the Fermi level. As the liquid Li1-xSix alloys are within the composition range between 0.20 and 0.50, the increment of the states at the Fermi level with increasing the Si content is nearly identical to the amount of the Li states decreased, leading to an almost unchanged number of total electronic states at the Fermi level. However, since Ge atoms do not favor forming covalent bonding in the liquid alloys to keep the Fermi level at a minimum of the density of states, the liquid Li1-xGex alloys would have more electronic states at the Fermi level and thereby higher dc conductivities than the liquid Li1

  1. Thermodynamic and experimental study of corrosion behavior of vanadium-based alloy in liquid sodium-potassium coolant

    Science.gov (United States)

    Krasin, V. P.; Lyublinski, I. E.; Soyustova, S. I.

    2016-11-01

    A preliminary assessment of oxygen effect on vanadium solubility in Na-K melt eutectic composition has been carried out using mathematical framework of the subregular solution model and equations of coordination-cluster model. The effect of oxygen on the solubility of vanadium in the Na-K alloy can be considered as the result of short-range ordering in liquid metal solution. The negative deviations from the ideality for dilute oxygen solutions in Na-K solvent is one reason that explains the quantitative differences between Na and Na-K coolants, when we need to estimate the threshold oxygen concentration for the formation of ternary oxide NaVO2 on the surface of the solid vanadium in liquid sodium and in Na-K alloy. Isothermal capsule experiments qualitatively confirmed the results of calculations of vanadium solubility in Na0.32K0.68 alloy.

  2. Gibbs free energy difference between the undercooled liquid and the beta phase of a Ti-Cr alloy

    Science.gov (United States)

    Ohsaka, K.; Trinh, E. H.; Holzer, J. C.; Johnson, W. L.

    1992-01-01

    The heat of fusion and the specific heats of the solid and liquid have been experimentally determined for a Ti60Cr40 alloy. The data are used to evaluate the Gibbs free energy difference, delta-G, between the liquid and the beta phase as a function of temperature to verify a reported spontaneous vitrification (SV) of the beta phase in Ti-Cr alloys. The results show that SV of an undistorted beta phase in the Ti60Cr40 alloy at 873 K is not feasible because delta-G is positive at the temperature. However, delta-G may become negative with additional excess free energy to the beta phase in the form of defects.

  3. Newly developed EMF cell with zirconia solid electrolyte for measurement of low oxygen potentials in liquid Cu-Cr and Cu-Zr alloys

    Directory of Open Access Journals (Sweden)

    Katayama I.

    2012-01-01

    Full Text Available In order to measure the very low oxygen potential by use of stabilized zirconia solid electrolyte emf method, a new cell construction was devised. The idea was based on Janke but a zirconia rod was used instead of the zirconia crucible which contacts liquid alloy electrode. The cell was used for determination of the oxygen potentials in liquid dilute Cu-Cr and Cu-Zr alloys. The reference electrode was Cr,Cr2O3. Emf measurements were performed in the temperature range of 1400-1580K and composition range of 0.198-3.10at%Cr-Cu alloys, and 1380-1465K, 0.085-0.761at%Zr-Cu alloys. The composition of liquid alloys were determined by picking up from the liquid alloys and ICP analysis. By use of the newly devised cell construction in this study, stable emf values were obtained at each temperature and alloy composition. Emf values were corrected by using the parameter for electronic contribution of the YSZ. Activity of Cr obeys Henry’s law and activity coefficient at infinitely dilute alloys of Cr in Cu-Cr alloys are: lng0 Cr =(3.80 at 1423K, (3.57 at 1473K, (3.38 at 1523K and (3.20 at 1573K. At 1423 K activity coefficient of Zr at infinitely diluted alloy is lnγo Zr = -4.0.

  4. Kinetics of laser-driven phase separation induced by a tightly focused wave in binary liquid mixtures

    Science.gov (United States)

    Delville, J. P.; Lalaude, C.; Ducasse, A.

    Optical tweezers have recently been used to locally induce liquid-liquid phase separations and to nucleate a single domain inside the trap [H. Masuhara and co-workers, J. Phys. Chem. B 101 (1997) 5900; Langmuir 13 (1997) 414; Bull. Chem. Soc. Japan 69 (1996) 59]. We investigate theoretically these laser-driven transitions in liquid mixtures in a tightly focused wave and analyze their kinetics. After a description of the different quenching processes (electrostriction, thermodiffusion and thermal heating), the droplet growth rate is derived in each case. To illustrate the generality of the purpose, the model is developed for critical binary fluids and the kinetics are discussed in terms of universal behaviors using a comparison with classical uniform quench situations. We also analyze how finite size effects induced by the beam break this dynamic universality. To validate the model, a comparison of the predicted behaviors with recent experimental results is presented. The good agreement illustrates the potentialities of this new application of optical tweezers as micro-physical chemistry tools.

  5. A universal bubble-growth equation for pure liquids and binary solutions with a non-volatile solute

    Energy Technology Data Exchange (ETDEWEB)

    Miyatake, Osamu [Kyushu Univ., Fukuoka (Japan). Dept. of Chemical Engineering; Tanaka, Itsuo [Gifu Univ. (Japan). Dept. of Biological Production System; Lior, N. [Univ. of Pennsylvania, Philadelphia, PA (United States). Dept. of Mechanical Engineering and Applied Mechanics

    1996-12-31

    A simple equation suitable for predicting the growth rate of a vapor bubble in uniformly-superheated pure liquids and in binary solutions with a non-volatile solute was developed. The equation also improves on the popular pure-liquid bubble growth expression of Mikie et al. (1970) in that it is valid throughout the bubble growth history, i.e., in the surface-tension-, inertia-, and heat-transfer-controlled regimes, it accounts for bubble growth acceleration effects, and uses correctly-related and variable fluid properties. It was found to agree very well with experimental data for pure water and for aqueous NaCl solutions. As the bubble growth in superheated solutions with a non-volatile solute was found to be quite insensitive to diffusion and non-equilibrium effects in a broad range of common solution properties, this equation is likely to be universally valid for many liquids and solutions. Bubble growth in superheated fluids is of key interest in boiling phenomena in general and in flash evaporation in particular. Applications include a wide variety of separation processes such as water desalination, and energy conversion processes such as ocean-thermal energy conversion, geothermal power generation, and nuclear reactor safety.

  6. Microstructure and properties of liquid-phase sintered tungsten heavy alloys by using ultra-fine tungsten powders

    Institute of Scientific and Technical Information of China (English)

    于洋; 王尔德

    2004-01-01

    The microstructure and properties of liquid-phase sintered 93W-4.9Ni-2.1Fe tungsten heavy alloys using ultra-fine tungsten powders (medium particle size of 700 nm) and original tungsten powders (medium particle size of 3 μm) were investigated respectively. Commercial tungsten powders (original tungsten powders) were mechanically milled in a high-energy attritor mill for 35 h. Ultra-fine tungsten powders and commercial Ni, Fe powders were consolidated into green compacts by using CIP method and liquid-phase sintering at 1 465 ℃ for 30 min in the dissociated ammonia atmosphere. Liquid-phase sintered tungsten heavy alloys using ultra-fine tungsten powders exhibit full densification (above 99% in relative density) and higher strength and elongation compared with conventional liquidphase sintered alloys using original tungsten powders due to lower sintering temperature at 1 465 ℃ and short sintering time. The mechanical properties of sintered tungsten heavy alloy are found to be mainly dependent on the particles size of raw tungsten powders and liquid-phase sintering temperature.

  7. Global phase equilibrium calculations: Critical lines, critical end points and liquid-liquid-vapour equilibrium in binary mixtures

    DEFF Research Database (Denmark)

    Cismondi, Martin; Michelsen, Michael Locht

    2007-01-01

    of critical lines. Each calculated point is analysed for stability by means of the tangent plane distance, and the occurrence of an unstable point is used to determine a critical endpoint (CEP). The critical endpoint, in turn, is used as the starting point for constructing the three-phase line. The equations...... for the critical endpoint, as well as for points on the three-phase line, are also solved using Newton's method with temperature, molar volume and composition as the independent variables. The different calculations are integrated into a general procedure that allows us to automatically trace critical lines......, critical endpoints and three-phase lines for binary mixtures with phase diagrams of types from I to V without advance knowledge of the type of phase diagram. The procedure requires a thermodynamic model in the form of a pressure-explicit EOS but is not specific to a particular equation of state. (C) 2006...

  8. Copper-based alloys, crystallographic and crystallochemical parameters of alloys in binary systems Cu-Me (Me=Co, Rh, Ir, Cu, Ag, Au, Ni, Pd, Pt)

    Energy Technology Data Exchange (ETDEWEB)

    Porobova, Svetlana, E-mail: porobova.sveta@yandex.ru; Loskutov, Oleg, E-mail: lom58@mail.ru [Tomsk State University of Architecture and Building, Russia, Tomsk, 2 Solyanaya sq, Tomsk, 634003 (Russian Federation); Markova, Tat’jana, E-mail: patriot-rf@mail.ru [Siberian State Industrial University. 42 Kirov St., Novokuznetsk, 654007 (Russian Federation); Klopotov, Vladimir, E-mail: vdklopotov@mail.ru [Research Tomsk Polytechnic University, 30 Lenin Ave., Tomsk, 634050 (Russian Federation); Klopotov, Anatoliy, E-mail: klopotovaa@tsuab.ru [Tomsk State University of Architecture and Building, Russia, Tomsk, 2 Solyanaya sq, Tomsk, 634003 (Russian Federation); National Research Tomsk State University, 36, Lenin Ave., Tomsk, 634050 (Russian Federation); Vlasov, Viktor, E-mail: vik@tsuab.ru [Tomsk State University of Architecture and Building, Russia, Tomsk, 2 Solyanaya sq, Tomsk, 634003 (Russian Federation); Research Tomsk Polytechnic University, 30 Lenin Ave., Tomsk, 634050 (Russian Federation)

    2016-01-15

    The article presents the results of the analysis of phase equilibrium of ordered phases in binary systems based on copper Cu- Me (where Me - Co, Rh, Ir, Ag, Au, Ni, Pd, Pt) to find correlations of crystallochemical and crystallographic factors. It is established that the packing index in disordered solid solutions in binary systems based on copper is close to the value of 0.74 against the background of an insignificant deviation of atomic volumes from the Zen’s law.

  9. Thermodynamic Properties of Liquid Silver-Antimony-Tin Alloys Determined from Electrochemical and Calorimetric Measurements

    Science.gov (United States)

    Łapsa, Joanna; Onderka, Bogusław

    2016-08-01

    The thermodynamic properties of liquid Ag-Sb-Sn alloys were obtained through use of the drop solution calorimetric method and electromotive force (emf) measurements of galvanic cells with a yttria stabilized zirconia (YSZ) solid electrolyte. The experiments were carried out along Ag0.25Sb0.75, Ag0.5Sb0.5 and Ag0.75Sb0.25 sections of the ternary system in the temperature range from 973 K to 1223 K. From the measured emf, the tin activity in liquid solutions of Ag-Sb-Sn was determined for the first time. The partial and integral enthalpy of mixing were determined from calorimetric measurements at two temperatures. These measurements were performed along two cross-sections: Sb0.5Sn0.5 at 912 K and 1075 K, and Ag0.75Sb0.25 at 1075 K. Both experimental data sets were used to find ternary interaction parameters by applying the Redlich-Kister-Muggianu model of the substitutional solution. Consequently, the set of parameters describing the thermodynamic properties of the liquid phase was derived.

  10. Standard test method for tension testing of structural alloys in liquid helium

    CERN Document Server

    American Society for Testing and Materials. Philadelphia

    2009-01-01

    1.1 This test method describes procedures for the tension testing of structural alloys in liquid helium. The format is similar to that of other ASTM tension test standards, but the contents include modifications for cryogenic testing which requires special apparatus, smaller specimens, and concern for serrated yielding, adiabatic heating, and strain-rate effects. 1.2 To conduct a tension test by this standard, the specimen in a cryostat is fully submerged in normal liquid helium (He I) and tested using crosshead displacement control at a nominal strain rate of 10−3 s−1 or less. Tests using force control or high strain rates are not considered. 1.3 This standard specifies methods for the measurement of yield strength, tensile strength, elongation, and reduction of area. The determination of the elastic modulus is treated in Test Method E 111. Note 1—The boiling point of normal liquid helium (He I) at sea level is 4.2 K (−269°C or −452.1°F or 7.6°R). It decreases with geographic elevation and is...

  11. A Novel Vibrating Finger Viscometer for High-Temperature Measurements in Liquid Metals and Alloys

    Science.gov (United States)

    Dubberstein, T.; Schürmann, M.; Chaves, H.; Heller, H.-P.; Aneziris, C. G.

    2016-10-01

    A novel vibrating finger viscometer for high-temperature measurement in liquid metals and alloys up to 1823 K was constructed. The dynamic viscosity (η ) of the liquid fluid is measured as a product of (ρ \\cdot η )^{0.5} and the relative change of the field coil input for a constant amplitude recording at the resonant frequency of the oscillator. The viscometer was calibrated at 298 K using reference silicon oils with varying kinematic viscosities (ν ), (0.79 to 200)× 10^{-6} m2\\cdot s^{-1}. In the present study, the viscosity of liquid gold (99.99 % Au), silver (99.9 % Ag), and tin (99.9 % Sn) was measured. The viscosities expressed as an Arrhenius function of temperature are: {for Au:}quad quad ln η= & {} -0.1990+2669/T {for Ag:} quad quad ln η= & {} -0.4631+2089/T {for Sn:} quad quad ln η= & {} -0.5472+671/T The viscosity values are consistent within the range of available literature data.

  12. Determination of solid-liquid interfacial energies in the In-Bi-Sn ternary alloy

    Energy Technology Data Exchange (ETDEWEB)

    Akbulut, S; Ocak, Y [Department of Physics, Institute of Science and Technology, Erciyes University, Kayseri, 38039 (Turkey); Marasli, N; Keslioglu, K [Department of Physics, Faculty of Arts and Sciences, Erciyes University, Kayseri, 38039 (Turkey); Kaya, H [Department of Science Education, Education Faculty, Erciyes University, Kayseri, 38039 (Turkey); Cadirli, E [Department of Physics, Faculty of Arts and Sciences, Nigde University, Nigde (Turkey)], E-mail: marasli@erciyes.edu.tr

    2008-09-07

    The equilibrated grain boundary groove shapes of solid In{sub 2}Bi solution in equilibrium with the In-Bi-Sn eutectic liquid were observed from a quenched sample at 59 {sup 0}C. The Gibbs-Thomson coefficient, solid-liquid interfacial energy and grain boundary energy of the solid In{sub 2}Bi solution have been determined to be (1.42 {+-} 0.07) x 10{sup -7} K m, (49.6 {+-} 5.0) x 10{sup -3} J m{sup -2} and (97.1 {+-} 10.7) x 10{sup -3} J m{sup -2}, respectively, from the observed grain boundary groove shapes. The thermal conductivities of the solid phases for In-21.23 at% Bi-19.04 at% Sn and In-30.5 at% Bi-3 at% Sn alloys and the thermal conductivity ratio of the liquid phase to the solid phase for In-21.23 at% Bi-19.04 at% Sn have also been measured with a radial heat flow apparatus and a Bridgman type growth apparatus, respectively, at their melting temperature.

  13. Influence of chemical liquids on the fatigue crack growth of the AZ31 magnesium alloy

    Science.gov (United States)

    Wang, Zhang-Zhong; He, Xian-Cong; Bai, Yun-Qiang; Ba, Zhi-Xin; Dai, Yu-Ming; Zhou, Heng-Zhi

    2012-03-01

    The fatigue crack growth behavior of an AZ31 magnesium alloy was investigated by comparing the effect of zirconate and phosphate chemical liquids. The morphology, components, and phase compositions of the chemical depositions at the fatigue crack tip were analyzed by employing scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS), and X-ray diffraction (XRD), respectively. For samples with and without the chemical liquids, their stress-intensity factor values at the fatigue crack tip were compared by using a stress-strain gauge. The results demonstrated that a zirconate film (Zr x O y ·Zn x O y ) and a phosphate film (Zn3(PO4)2·4H2O and MgZnP2O7) could be formed on the fatigue crack-surface at the fatigue crack tip. The stress distribution was changed because of the chemical depositions and the causticity of the chemical liquids. This could decrease the stress-intensity factor value and thus effectively cause fatigue crack closure, which reduces the fatigue crack growth rate. Moreover, it was found that the fatigue crack closure effect of zirconates was more positive than that of phosphates.

  14. On the solid–liquid phase diagrams of binary mixtures of even saturated fatty alcohols: Systems exhibiting peritectic reaction

    Energy Technology Data Exchange (ETDEWEB)

    Carareto, Natália D.D. [EXTRAE, Department of Food Engineering, Food Engineering Faculty, University of Campinas, UNICAMP, CEP 13083-862 Campinas, SP (Brazil); Santos, Adenílson O. dos [Social Sciences, Health and Technology Center, University of Maranhão, UFMA, CEP 65900-410 Imperatriz, MA (Brazil); Rolemberg, Marlus P. [Institute of Science and Technology, University of Alfenas, UNIFAL, Rodovia José AurélioVilela, CEP 37715400 Poços de Caldas, MG (Brazil); Cardoso, Lisandro P. [Institute of Physics GlebWataghin, University of Campinas, UNICAMP, C.P. 6165, CEP 13083-970 Campinas, SP (Brazil); Costa, Mariana C. [School of Applied Science, University of Campinas, UNICAMP, CEP 13484-350 Limeira, SP (Brazil); Meirelles, Antonio J.A., E-mail: tomze@fea.unicamp.br [EXTRAE, Department of Food Engineering, Food Engineering Faculty, University of Campinas, UNICAMP, CEP 13083-862 Campinas, SP (Brazil)

    2014-08-10

    Highlights: • SLE of binary mixtures of saturated fatty alcohols was studied. • Experimental data were obtained using DSC and stepscan DSC. • Microscopy and X-ray diffraction used as complementary techniques. • Systems presented eutectic, peritectic and metatectic points. - Abstract: The solid–liquid phase diagrams of the following binary mixtures of even saturated fatty alcohols are reported in the literature for the first time: 1-octanol (C8OH) + 1-decanol (C10OH), 1-decanol + 1-dodecanol (C12OH), 1-dodecanol + 1-hexadecanol (C16OH) and 1-tetradecanol (C14OH) + 1-octadecanol (C18OH). The phase diagrams were obtained by differential scanning calorimetry (DSC) using a linear heating rate of 1 K min{sup −1} and further investigated by using a stepscan DSC method. X-ray diffraction (XRD) and polarized light microscopy were also used to complement the characterization of the phase diagrams which have shown a complex global behavior, presenting not only peritectic and eutectic reactions, but also the metatectic reaction and partial immiscibility on solid state.

  15. Measurement and Analysis of Liquid Density of NiCoAlMo Quarternary Alloys%四元合金NiCoAlMo液态密度的测量与分析

    Institute of Scientific and Technical Information of China (English)

    唐先智; 方亮; 肖锋; 陶再南

    2011-01-01

    用改良静滴法对钼浓度在0%到10%(质量分数)的NiCoAlMo四元合金的液态密度进行了测量,NiCoA1Mo合金的Ni:Co:A1摩尔比与商用镍基超合金TMS75、INCO713、CM247LC和CMSX-4的Ni:Co:Al摩尔比接近(χNi:χCo:χAl=73:12:15).结果表明:液态密度随温度的增加而减小,随合金中钼浓度的增加而增加;液态NiCoAlMo四元合金的摩尔体积随温度和合金中钼浓度的增加而增加,与理想混合相比,呈负偏差.由镍基二元合金中镍、钻、铝、钼4个元素的偏摩尔体积计算获得的NiCoAlMo四元合金的液态密度与实验测量密度吻合良好,表明在误差范围内,多元镍基合金的液态密度可以通过二元镍基合金中相应元素的偏摩尔体积进行预测估计.%The density of liquid NiCoAlMo quaternary alloy with a fixed molar ratio of Ni:Co:Al (χNi:χCo:χAl≈73:12:15) which is close to the average value of the commercial Ni-based superalloys TMS75, INCO713, CM247LC and CMSX-4, and molybdenum concentration change from 0% to 10% (mass fraction) was measured by a modified sessile drop method. It is found that the density of the liquid NiCoA1Mo quaternary alloy decreases with increasing of temperature, but increases with the increase of molybdenum concentration in the alloys. The molar volume of liquid NiCoAIMo quaternary alloy increases with the increase of temperature and molybdenum concentration, and shows a negative deviation from the ideal linear mixing. The liquid density of NiCoA1Mo quaternary alloy calculated from the partial molar volumes of nickel, cobalt, aluminum and molybdenum in the corresponding Ni-bases binary alloy are in good agreement with the experimental results; it means that within the error tolerance range the density of liquid Ni-based multi-component alloys can be predicted from the partial volumes of elements in Ni-based binary alloys in liquid state.

  16. Ebulliometric determination and prediction of (vapor + liquid) equilibria for binary and ternary mixtures containing alcohols (C{sub 1}-C{sub 4}) and dimethyl carbonate

    Energy Technology Data Exchange (ETDEWEB)

    Matsuda, Hiroyuki, E-mail: matsuda@chem.cst.nihon-u.ac.jp [Department of Materials and Applied Chemistry, Nihon University, 1-8 Kanda Surugadai, Chiyoda-ku, Tokyo 101-8308 (Japan); Fukano, Makoto; Kikkawa, Shinichiro [Department of Materials and Applied Chemistry, Nihon University, 1-8 Kanda Surugadai, Chiyoda-ku, Tokyo 101-8308 (Japan); Constantinescu, Dana [Carl von Ossietzky Universitaet Oldenburg, Technische Chemie, D-26111 Oldenburg (Germany); Kurihara, Kiyofumi; Tochigi, Katsumi; Ochi, Kenji [Department of Materials and Applied Chemistry, Nihon University, 1-8 Kanda Surugadai, Chiyoda-ku, Tokyo 101-8308 (Japan); Gmehling, Juergen [Carl von Ossietzky Universitaet Oldenburg, Technische Chemie, D-26111 Oldenburg (Germany)

    2012-01-15

    Highlights: > The VLE behavior of systems containing dimethyl carbonate (DMC) was investigated. > VLE data for ternary and binary mixtures containing alcohol and DMC were measured. > Several activity coefficient models were used for data reduction or prediction. > Valley line, i.e., distillation boundary, was observed for the ternary mixture. > Residue curves were calculated to investigate composition profile for distillation. - Abstract: (Vapor + liquid) equilibrium (VLE) data for a ternary mixture, namely {l_brace}methanol + propan-1-ol + dimethyl carbonate (DMC){r_brace}, and four binary mixtures, namely an {l_brace}alcohol (C{sub 3} or C{sub 4}) + DMC{r_brace}, containing the binary constituent mixtures of the ternary mixture, were measured at p = (40.00 to 93.32) kPa using a modified Swietoslawski-type ebulliometer. The experimental data for the binary systems were correlated using the Wilson model. The Wilson model was also applied to the ternary system to predict the VLE behavior using parameters from the binary mixtures. The modified UNIFAC (Dortmund) model was also tested for the predictions of the VLE behavior of the binary and ternary mixtures. In addition, the experimental VLE data for the ternary and constituent binary mixtures were correlated using the extended Redlich-Kister (ERK) model, which can completely represent the azeotropic points. For the ternary system, a comparison of the experimental and the predicted or correlated boiling points obtained using the Wilson and ERK models showed that the ERK model is more accurate. The valley line, i.e., the curve which divides the patterns of vapor-liquid tie lines, was found in the (methanol + propan-1-ol + DMC) system. This valley line could be represented by the ERK model. Finally, the composition profile for simple distillation of this ternary mixture was obtained by analysis of the residue curves from the estimated Wilson parameters of the constituent binary mixtures.

  17. On The Validity of the Assumed PDF Method for Modeling Binary Mixing/Reaction of Evaporated Vapor in GAS/Liquid-Droplet Turbulent Shear Flow

    Science.gov (United States)

    Miller, R. S.; Bellan, J.

    1997-01-01

    An Investigation of the statistical description of binary mixing and/or reaction between a carrier gas and an evaporated vapor species in two-phase gas-liquid turbulent flows is perfomed through both theroetical analysis and comparisons with results from direct numerical simulations (DNS) of a two-phase mixing layer.

  18. Computation of Isobaric Vapor-Liquid Equilibrium Data for Binary and Ternary Mixtures of Methanol, Water, and Ethanoic Acid from T, p, x, and HmE Measurements

    Directory of Open Access Journals (Sweden)

    Daming Gao

    2012-01-01

    Full Text Available Vapor-liquid equilibrium (VLE data for the strongly associated ternary system methanol + water + ethanoic acid and the three constituent binary systems have been determined by the total pressure-temperature-liquid-phase composition-molar excess enthalpy of mixing of the liquid phase (p, T, x, HmE for the binary systems using a novel pump ebulliometer at 101.325 kPa. The vapor-phase compositions of these binary systems had been calculated from Tpx and HmE based on the Q function of molar excess Gibbs energy through an indirect method. Moreover, the experimental T, x data are used to estimate nonrandom two-liquid (NRTL, Wilson, Margules, and van Laar model parameters, and these parameters in turn are used to calculate vapor-phase compositions. The activity coefficients of the solution were correlated with NRTL, Wilson, Margules, and van Laar models through fitting by least-squares method. The VLE data of the ternary system were well predicted from these binary interaction parameters of NRTL, Wilson, Margules, and van Laar model parameters without any additional adjustment to build the thermodynamic model of VLE for the ternary system and obtain the vapor-phase compositions and the calculated bubble points.

  19. On The Validity of the Assumed PDF Method for Modeling Binary Mixing/Reaction of Evaporated Vapor in GAS/Liquid-Droplet Turbulent Shear Flow

    Science.gov (United States)

    Miller, R. S.; Bellan, J.

    1997-01-01

    An Investigation of the statistical description of binary mixing and/or reaction between a carrier gas and an evaporated vapor species in two-phase gas-liquid turbulent flows is perfomed through both theroetical analysis and comparisons with results from direct numerical simulations (DNS) of a two-phase mixing layer.

  20. Ultrasonic study of molecular interaction in binary liquid mixtures at 30°C

    Indian Academy of Sciences (India)

    A Ali; A K Nain

    2002-04-01

    Densities ρ and ultrasonic speeds of the binary mixtures of tetrahydrofuran (THF) with 1-butanol and tert-butanol, at 30°C, over the entire composition range were measured. From these data isentropic compressibility, s, intermolecular free length f, relative association A, acoustic impedance , molar sound speed m, deviations in isentropic compressibility s, and excess volume E were calculated. The variation of these parameters with composition of the mixture helps us in understanding the nature and extent of interaction between unlike molecules in the mixtures. Further, theoretical values of ultrasonic speed were evaluated using theories and empirical relations. The relative merits of these theories and relations were discussed.