共查询到20条相似文献,搜索用时 46 毫秒
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Dmitri V. Malakhov Xing Jun Liu Ikuo Ohnuma Kiyohito Ishida 《Journal of Phase Equilibria》2000,21(6):514-520
A thermodynamic assessment of the Bi-Sn-Zn ternary system was carried out by considering the experimental data including the phase equilibria and thermodynamic properties on the basis of the CALPHAD method. A set of optimized thermodynamic parameters has been obtained, which leads to a very good fit between calculation and experiments. In particular, the thermodynamic calculations in the Sn-rich portion are presented in view of the recent progress in Pb-free solder alloys. 相似文献
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A thermodynamic optimization of the boron-cobalt-iron ternary system is performed based on thermodynamic models of the three constitutional binary systems and the experimental data on phase diagrams and thermodynamic properties of the ternary system. The liquid, fcc_A1, bcc_A2 and hcp_A3 solution phases are described by the substitutional solution model. The three intermediate line compounds, (Co,Fe)B, (Co,Fe)2B and (Co,Fe)3B, are described by the two sublattice model. A set of thermodynamic parameters are obtained. The calculated phase diagram and thermodynamic properties are in reasonable agreement with most of the experimental data. 相似文献
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Weihua Sun Yong Du Shuhong Liu Baiyun Huang Chao Jiang 《Journal of Phase Equilibria and Diffusion》2010,31(4):357-364
The phase equilibrium and thermodynamic data on the Mn-B system are critically reviewed. Based on the experimental data, a
thermodynamic modeling is performed on this system. A set of self-consistent thermodynamic parameters is obtained and the
calculated results are in general agreement with the experimental data. A parameter ξ is introduced to compare the degree
of flatness of the δMn/L liquidus with those in other metal-boron systems. It is found that the δMn/L liquidus is the flattest,
which causes difficulties in its modeling. An effective approach to evaluate the thermodynamic parameters for o-Mn2B0.982 phase is developed. Such an approach is valid for evaluating thermodynamic parameters of the phases with limited phase diagram
data. 相似文献
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A thermodynamic modeling of the C-Cr-Ta ternary system 总被引:1,自引:0,他引:1
Chunsheng Sha Mengjie Bu Honghui Xu Yong Du Shequan WangGuanghua Wen 《Journal of Alloys and Compounds》2011,509(20):5996-6003
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Thermodynamics employs quantities that characterize the state of the system and provides driving forces for system evolution. These quantities can be applied by means of the thermodynamic extremal principle to obtain models and consequently constitutive equations for the evolution of the thermodynamic systems. The phase field method is a promising tool for simulation of the microstructure evolution in complex systems but introduces several parameters that are not standard in thermodynamics. The purpose of this paper is to show how the phase field method equations can be derived from the thermodynamic extremal principle, allowing the common treatment of the phase field parameters together with standard thermodynamic parameters in future applications. Fixed values of the phase field parameters may, however, not guarantee fixed values of thermodynamic parameters. Conditions are determined, for which relatively stable values of the thermodynamic parameters are guaranteed during phase field method simulations of interface migration. Finally, analytical relations between the thermodynamic and phase field parameters are found and verified for these simulations. A slight dependence of the thermodynamic parameters on the driving force is determined for the cases examined. 相似文献
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1 IntroductionⅢ Ⅴsemiconductormaterialsorde vicescanbegrownbyliquidphaseepitaxy(LPE) ,chemicalvapordeposit(CVD ) ,molecularbeamepitaxy(MBE)andsoon .Reliablethermodynamicdataarerequiredforthethermodynamicanalysesoftheseprocessestoobtainaoptimumdesign[1 ].AAl Ga … 相似文献
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A thermodynamic assessment of the Ag-Au-Sb ternary system has been carried out using the CALPHAD method based on new thermodynamic
and phase equilibria data that we have recently determined. The Ag-Sb binary system has also been reoptimized. The calculated
phase diagram and thermodynamic properties of the ternary system Ag-Au-Sb show satisfactory general agreement with the experimental
data. The liquidus projection and monovariant valleys of the ternary system are well reproduced by the optimized thermodynamic
model parameters. Additional experiments to confirm the proposed reaction scheme, which involves two ternary transition peritectic
reactions, are suggested. 相似文献
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Phase equilibria and thermodynamic data of the Al-Re system are critically reviewed. In addition to the three solution phases,
liquid, fcc Al, and hcp Re, there exist six intermetallic compounds in this binary. The thermodynamic properties of the system
are analyzed using thermodynamic models for the Gibbs energy of individual phases of the system. A regular solution model
is used for the three substitutional solution phases, and the intermetallic phases are treated as stoichiometric compounds.
The model parameters are optimized from a limited amount of experimental data. The calculated phase diagram and thermodynamic
values are in accord with the available experimental values. 相似文献
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The thermodynamic assessments of the Cu–Th and Mo–Th binary systems were carried out by using Calculation of Phase Diagrams (CALPHAD) method on the basis of the experimental data including the thermodynamic properties and phase equilibria. The Gibbs free energies of the liquid, bcc, and fcc phases are described by the subregular solution model with the Redlich–Kister equation and those of the four intermetallic compounds Cu6Th, Cu3.6Th, Cu2Th and CuTh2 in the Cu–Th binary system were described by the sublattice model. A set of self-consistent thermodynamic parameters are obtained, and the calculated phase diagrams and thermodynamic properties are presented and compared with the experimental data from literatures. The calculated thermodynamic properties as well as phase diagrams are in good agreement with the experimental data. 相似文献
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Iikka ISOMÄKI Rui ZHANG Long-gong XIA Niko HELLSTEN Pekka A. TASKINEN 《中国有色金属学会会刊》2018,28(9):1869-1877
ZnO-containing slags are common in pyrometallurgical processing of the base metals and steel. This caused the interest to the thermodynamics of the ZnO-SiO2 system. A complete literature survey, critical evaluation of the available experimental data and a thermodynamic optimization of the phase equilibria and thermodynamic properties of the system ZnO-SiO2 at 1.013×105 Pa are presented. The molten oxide was described as an associate solution. The properties of liquid were reassessed and enthalpy term of the Gibbs energy of solid Zn2SiO4 was re-fitted to be compatible with the new data in the willemite primary phase field. The thermodynamic data set agrees well with the recent experimental observations. It can be used for predicting, e.g., the thermodynamic properties and the domains of the phase diagram, like critical point of the liquid miscibility gap, with a better accuracy than using the previous assessments. A set of optimized model parameters were obtained, reproducing the reliable thermodynamic and phase equilibrium data within their experimental errors from 298 K to liquidus temperatures, over the entire composition range. The created database can be used in a Gibbs energy minimization software to calculate the thermodynamic properties and the phase diagram sections of interest. 相似文献
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A thermodynamic assessment of the Al-Cu-Mg ternary system 总被引:3,自引:0,他引:3
T. Buhler S. G. Fries P. J. Spencer H. L. Lukas 《Journal of Phase Equilibria and Diffusion》1998,19(4):317-329
A thermodynamic assessment of the Al-Cu-Mg ternary system is presented. The Gibbs energies for the liquid and solid solution
phases were modeled using the Redlich-Kister polynomial and the Wagner-Schottky model represented by the compound-energy formalism.
The model parameters were obtained after fitting to previously critically assessed experimental phase diagram and thermodynamic
data available in the literature. The thermodynamic functions and phase diagram calculated using the model parameters describe
quite well the known experimental information. The complete set of Gibbs energies for all phases appearing in this system
enables the calculation of thermodynamic values as a function of composition and temperature even for those ranges where no
experimental information is available. 相似文献
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A pair interaction model for describing the thermodynamic activities in binary ordered alloys with substitutional defects (antisite atoms) has been formulated in the framework of the Bragg–Williams approximation, taking the ordering energy as the basic parameter. Analytical expressions have been derived for the thermodynamic factor in chemical diffusion. The thermodynamic factor can readily be calculated using the ordering energy obtained by analysing activity data. As examples, experimental data of the thermodynamic activity in AgMg (B2), NiZn (L10) and Ni3Al (L12) have been analysed and the thermodynamic factor vs composition curves are presented. 相似文献
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合金元素对A508-3钢平衡相转变相析出的影响 总被引:2,自引:0,他引:2
采用Thermo-Calc热力学软件计算了A508-3钢的热力学平衡相,研究了合金元素对A508-3钢平衡相转变相析出的影响。结果表明,A508-3钢平衡相转变时的析出相为渗碳体、KSI碳化物、M7C3、MoC和Mo2C,其中KSI碳化物是含Mo较多的渗碳体。综合各元素的影响,在平衡态条件下,C为0.19%时,Mn控制在中高限,Mo控制在0.47%~0.49%对力学性能的提高是有利的;C为0.17%时,Mn控制在中高限,Mo控制在0.51%~0.53%是冶炼时较为合适的成分控制范围。 相似文献
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