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1.
C. P. Wang X. J. Liu I. Ohnuma R. Kainuma K. Ishida 《Journal of Phase Equilibria and Diffusion》2004,25(4):320-328
A thermodynamic database of the Cu-Fe-X [X: aluminum (Al), cobalt (Co), chromium (Cr), manganese (Mn), molybdenum (Mo), niobium
(Nb), nickel (Ni), vanadium (V)] systems was developed by the CALPHAD (Calculation of Phase Diagrams) method, where the Gibbs
energies of solution phases such as the liquid, face-centered-cubic (fcc), body-centered-cubic (bcc), and hexagonal-close-packed
(hcp) phases are described by the subregular solution model, while the those of the bcc phase in the Cu-Fe-Al system and of
all compounds are described by the sublattice model. The thermodynamic parameters describing Gibbs energies of the different
phases in this database were evaluated by fitting the experimental data for phase equilibria and thermodynamic properties.
On the basis of this database, much information concerning stable and metastable phase equilibria of isothermal and vertical
sections, molar fractions of constituent phases, the liquidus projection, etc., can be predicted. This database is expected
to play an important role in the design of Cu-Fe base alloys. 相似文献
2.
利用相图计算(CALPHAD)方法,采用亚规则溶体模型描述溶体相的吉布斯自由能,采用亚点阵模型描述金属间化合物和有序相的吉布斯自由能,并结合相平衡和热力学性质的实验数据,优化与计算Cu-X二元系以及Cu-Fe、Cu-Ni、Cu-Cr、Cu-Co、Cu-Mo和Cu-W基各三元系的相图,获得自洽性良好的热力学参数,并建立铜合金热力学数据库。该数据库可以提供稳定和亚稳的相图计算、相分数计算、液相面计算、热力学性质的计算等多种信息,为外推计算铜基多元合金系的相平衡提供理论基础,并为高性能铜合金材料的设计及制备提供重要的理论指导。 相似文献
3.
利用CALPHAD方法,选择和建立合理的热力学模型,并结合相平衡及热力学性质的相关实验信息,对Mo-RE (RE: Ce, Pr, Nd, Sm, Eu, Tb, Ho, Er, Tm, Yb, Lu)各二元系相图进行了热力学优化与计算。其中,液相和端际固溶体相的Gibbs自由能采用亚正规溶体模型描述,气相的Gibbs自由能采用理想气体模型描述。计算结果与实验数据取得了良好的一致性,最终得到了一组自洽的合理描述Mo-RE二元系各相自由能的热力学参数,建立了Mo-RE (RE: Ce, Pr, Nd, Sm, Eu, Tb, Ho, Er, Tm, Yb, Lu)二元合金相图的热力学数据库。该热力学数据库可以提供相平衡及热力学性质等多种信息,为外推计算三元以及更多组元体系的相平衡提供理论基础,并为相关体系的合金设计及制备提供重要的理论指导。 相似文献
4.
C.P. Wang X. Chen X.J. Liu F.S. Pan K. Ishida 《Journal of Alloys and Compounds》2008,458(1-2):166-173
In order to develop the thermodynamic database of phase equilibria in the Mg–Zn–Re (Re: rare earth element) base alloys, the thermodynamic assessments of the Ce–Zn and Pr–Zn systems were carried out by using the calculation of phase diagrams (CALPHAD) method on the basis of the experimental data including thermodynamic properties and phase equilibria. Based on the available experimental data, Gibbs free energies of the solution phases (liquid, bcc, fcc, hcp and dhcp) were modeled by the subregular solution model with the Redlich–Kister formula, and those of the intermetallic compounds were described by the sublattice model. A consistent set of thermodynamic parameters has been derived for describing the Gibbs free energies of each solution phase and intermetallic compound in the Ce–Zn and Pr–Zn binary systems. An agreement between the present calculated results and experimental data is obtained. 相似文献
5.
A thermodynamic database for nuclear materials, including U-Th, U-Pu, Th-Pu, and (U, Th, Pu)-X (X = Al, Co, Cr, Cu, Fe, Ga,
Mg, Mn, Mo, Nb, Ni, Si, Ta, W, Zr) binary system has been developed by the Calculation of Phase Diagrams (CALPHAD) method.
Thermodynamic parameters describing Gibbs free energies of different phases have been evaluated by optimizing experimental
data on phase equilibria and thermodynamic properties. The present thermodynamic database can provide much-needed information
such as stable and metastable phase equilibria, phase fractions, and various thermodynamic quantities that is important to
the design of nuclear materials. This database is also an essential starting point to construct thermodynamic databases for
the multicomponent systems. 相似文献
6.
基于Cu-Ni-Sn三元系的相平衡和热力学的实验信息,采用亚正规溶体模型描述液相和fcc相的Gibbs自由能,为了预测该体系中bcc相的A2-B2有序-无序转变,bcc相的Gibbs自由能采用双亚点阵模型进行描述.利用CALPHAD(相图计算)方法评估了Cu-Ni-Sn三元系各相的热力学参数,计算的富Cu侧相图和热力学性质与实验数据比较一致.并对该三元系中bcc相的A2-B2有序-无序转变及fcc相的溶解度间隙进行了计算.这些计算结果对利用析出强化以及Spinodal分解开发高强度和高导电性的新型Cu基合金的组织设计具有一定的指导意义. 相似文献
7.
Cuiping Wang Yihui Guo Yong Lu Xingjun Liu 《Journal of Phase Equilibria and Diffusion》2014,35(3):269-275
The thermodynamic assessment of the binary system Ti-Ir has been carried out by modeling the Gibbs energy of all individual phases using the calculation of phase diagrams approach based on the available literature data including the phase equilibria and thermodynamic properties. The Gibbs free energies of the liquid, bcc, fcc and hcp phases were described by the subregular solution model with Redlich-Kister formula, and those of the intermetallic compounds (Ti3Ir, γTiIr, βTiIr and TiIr3) in the Ti-Ir binary system were described by the two-sublattice model. The calculations are in good agreement with the literature data on both phase equilibria and thermodynamic properties in the Ti-Ir system. 相似文献
8.
X. J. Liu Y. Lu M. H. Chen D. L. Zhao C. P. Wang K. Ishida 《Journal of Phase Equilibria and Diffusion》2014,35(5):612-621
Thermodynamic assessment of Mn-RE (RE: Pr, Nd, Sm, Eu, Tb, Dy, Ho, Er, Tm, Yb, Lu) binary systems has been carried out by means of the calculation of phase diagrams method on the basis of experimental data including phase equilibria and thermodynamic properties. The Gibbs free energies of liquid phase and solid solution phases in the Mn-RE systems were all described by the subregular solution model with the Redlich–Kister formulation, whereas those of intermetallic compounds were described by the sublattice model. Sets of thermodynamic functions with self-consistent parameters leading to satisfactory agreement between calculated results and experimental data were eventually obtained. A primary thermodynamic database for the phase diagrams of the Mn-RE (RE: Pr, Nd, Sm, Eu, Tb, Dy, Ho, Er, Tm, Yb, Lu) binary systems was developed from these essential thermodynamic parameters. This database can be used not only to calculate the phase equilibria and thermodynamic properties of binary Mn-RE systems but also to extrapolate to higher-order systems, which can provide theoretical guidance for design and development of high-performance Mn-RE alloy materials. 相似文献
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X. J. Liu Y. Liu Y. H. Guo D. Wang S. Y. Yang Y. Lu C. P. Wang 《Journal of Phase Equilibria and Diffusion》2016,37(5):513-523
The phase equilibria of the Cu-Nb-Zr ternary system at 900, 1000 and 1100 °C were experimentally investigated by optical microscopy and electron probe microanalysis on the equilibrated alloys. Combined with the obtained experimental results, the phase equilibria of Cu-Nb-Zr ternary system were thermodynamically optimized using the CALPHAD (calculation of phase diagrams) method. The Gibbs free energies of the phases in the present work were described by appropriate models. A consistent set of the thermodynamic parameters leading to reasonable agreement between the calculated data and experimental results was obtained in the Cu-Nb-Zr ternary system. 相似文献
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13.
A thorough review and critical evaluation of phase equilibria and thermodynamic data for all phases in the iron-sulfur (Fe-S)
binary system at 1 bar pressure has been made over the entire composition range for temperatures from 25 °C to above the liquidus.
The Gibbs energies of ten phases have been modeled, and optimized model parameters have been obtained that reproduce all data
simultaneously within experimental error limits. For the liquid phase, the recently extended modified quasi-chemical model
is applied for the first time to a liquid metal-sulfur phase. A two-sublattice model within the framework of the compound
energy formalism is used for the high-temperature monosulfide pyrrhotite solution. A substitutional model is used for the
dissolution of S in solid iron. The Gibbs energies of six stoichiometric compounds are also modeled. 相似文献
14.
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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R. Süss 《稀有金属(英文版)》2006,25(5):597-607
1. Introduction Alloys based on the platinum group metals are becoming increasingly attractive for high- tempera- ture applications, for example, as possible alterna- tives to nickel-based superalloys used in aerospace applications [1]. At appropriate compositions, alloys based on the Pt-Al binary system exhibit γ/γ’ micro- structures analogous to those of the Ni-Al system where the ordered Ni3Al L12 intermetallic phase (γ’) is precipitated in a disordered fcc matrix (γ). It is the co… 相似文献
17.
DU Zhenmin GUO Cuiping LI Changrong ZHANG Weijing 《稀有金属(英文版)》2006,25(5):492-500
As an example of the La-Mg-Y system, the method how to set up the themaodynamic model of individual phases was introduced in the process of thermodynamic optimization. The solution phases (liquid, body-centered cubic, face-centered cubic, hexagonal close-packed and double hexagonal close-packed) were modeled with the Redlich-Kister equation. The compound energy model has been used to describe the thermodynamic functions of the intermetallic compounds in the La-Mg-Y systems. The compounds Mg2Y, Mg24Y5, Mg12La, Mg17La2, Mg41Las, Mg3La and Mg2La in the La-Mg-Y system were treated as the formulae (Mg,Y)2(La,Mg,Y), Mg24(La,Mg,Y)4Y, Mg12(La, Y), Mg17(La,Y)2, Mg41(La,Y)5, Mg3(La,Mg,Y) and Mg2(La, Y), respectively. A model (La, Mg,Y)0.5(La,Mg,Y)0.5 was applied to describe the compound MgM formed by MgLa and MgY in order to cope with the order-disorder transition between body-centered cubic solution (A2) and MgM with CsCl-type structure (B2) in the La-Mg-Y system. The Gibbs energies of individual phases were optimized in the La-Mg, La-Y and La-Mg-Y systems by CALPHAD technique. The projection of the liquidus surfaces for the La-Mg-Y system was predicted. The Mg-based alloys database including 36 binary and 15 ternary systems formed by Mg, Al, Cu, Ni, Mn, Zn and rare earth elements was set up in SGTE standard. 相似文献
18.
Cui Ping Wang Xing Jun Liu Ikuo Ohnuma Ryosuke Kainuma Kiyohito Ishida 《Journal of Phase Equilibria》2002,23(3):236-245
Phase equilibria on the Fe-Cu side in the Fe-Cu-X (X: Co, Cr, Si, V) system were experimentally determined over the temperature range of 1073–1273 K. Based on the present results and previous works, the thermodynamic assessments of the phase equilibria in the Fe-Cu-X system were evaluated using the Calculation of Phase Diagram (CALPHAD) method. The Gibbs energies (G) of the bcc, fcc, and liquid phases are described by the subregular solution model, and a set of thermodynamic parameters enable us to calculate various isothermal and vertical sections and the miscibility gaps of the solid and liquid phases. 相似文献
19.
Phase equilibria in Fe-Cu-X (X: Co, Cr, Si, V) ternary systems 总被引:2,自引:0,他引:2
Cui Ping Wang Xing Jun Liu Ikuo Ohnuma Ryosuke Kainuma Kiyohito Ishida 《Journal of Phase Equilibria and Diffusion》2002,23(3):236-245
Phase equilibria on the Fe-Cu side in the Fe-Cu-X (X: Co, Cr, Si, V) system were experimentally determined over the temperature
range of 1073–1273 K. Based on the present results and previous works, the thermodynamic assessments of the phase equilibria
in the Fe-Cu-X system were evaluated using the Calculation of Phase Diagram (CALPHAD) method. The Gibbs energies (G) of the bcc, fcc, and liquid phases are described by the subregular solution model, and a set of thermodynamic parameters
enable us to calculate various isothermal and vertical sections and the miscibility gaps of the solid and liquid phases. 相似文献
20.
Taufiq Hidayat Denis Shishin Sergei A. Decterov Evgueni Jak 《Journal of Phase Equilibria and Diffusion》2017,38(4):477-492
Phase equilibria and thermodynamic data in the FeO-Fe2O3-SiO2 system were critically reviewed. New experiments were undertaken to resolve discrepancies found in previous data. The liquid oxide/slag phase was described using the modified quasichemical model. New optimized parameters of the thermodynamic models for the Gibbs energies of slag and other phases in the selected system were obtained. The new parameters reproduce all available phase equilibria and thermodynamic data within the experimental error limits from 298 K (25 °C) to above the liquidus temperatures at all compositions and oxygen partial pressures from metal saturation to 1 atm of O2. This study was carried out as part of the development of a self-consistent thermodynamic database for the Al-Ca-Cu-Fe-Mg-Si-O-S multi-component system. 相似文献