Thermodynamic optimization of Bi-Ni binary system  

热力学优化Bi-Ni二元系(英文)

作　　者：王江[1,2,3] 孟凡桂[4] 刘立斌[2] 金展鹏[2] 

机构地区：[1]桂林电子科技大学材料科学与工程学院,桂林541004 [2]中南大学材料科学与工程学院,长沙410083 [3]瑞士联邦材料测试与研究实验室焊接与界面技术实验室 [4]中南林业科技大学材料科学与工程学院,长沙410004

出　　处：《Transactions of Nonferrous Metals Society of China》2011年第1期139-145,共7页中国有色金属学报（英文版）

基　　金：Projects(50371104,50771106and50731002)supported by the National Natural Science Foundation of China;Project(2008K22)supported by the Scientific Research Foundation of Hunan Provincial Department of Land&Resources,China;Project supported by Geology Exploration Foundation of Hunan Provincial Department of Land&Resources,China

摘　　要：Based on the available experimental data,the Bi-Ni binary system was optimized thermodynamically by the CALPHAD method.The solution phases,including liquid,fcc_A1（Ni） and rhombohedral_A7（Bi）,were described as substitutional solution phases,of which the excess Gibbs energies were expressed with the Redlich-Kister polynomial.The intermetallic compound,BiNi,was modeled using three sublattices（Bi）（Ni,Va）（Ni,Va） considering its crystal structure（NiAs-type） and the compatibility of thermodynamic database in the multi-component systems,while Bi3Ni was treated as a stoichiometric compound.Finally,a set of self-consistent thermodynamic parameters formulating the Gibbs energies of various phases in this binary system were obtained.The calculated results are in reasonable agreement with the reported experimental data.基于文献报导的实验数据,采用相图计算(CALPHAD)方法,热力学优化了Bi-Ni二元系相图。该二元系的液相、fcc_A1(Ni)相和rhombohedral_A7(Bi)相用替换溶液模型来描述,其过剩吉布斯自由能用Redlich-Kister多项式来表达。考虑到晶体结构(NiAs型)以及与多组元体系热力学数据库的兼容性,中间化合物BiNi相采用亚点阵模型:(Bi)(Ni,Va)(Ni,Va);Bi3Ni相处理为化学计量比化合物。最后,通过优化该二元系实测的相图和热力学数据,获得一组能够表达各相吉布斯自由能的自洽的热力学参数。根据这些热力学参数计算的相图和热力学数据与报导的实验数据吻合良好。

关 键 词：Sn-based alloy phase diagram THERMODYNAMICS CALPHAD Bi-Ni binary system 

分 类 号：TG113.14[金属学及工艺—物理冶金]