Au-Ag-Al系相图的热力学优化和计算
Thermodynamic optimization and calculation of the phase diagrams of Au-Ag-Al system
邓力川 1王效琪 1周晓龙 1于杰 1刘满门 2王立惠3
作者信息
- 1. 昆明理工大学 材料科学与工程学院,昆明 650093
- 2. 昆明贵金属研究所,昆明 650106
- 3. 中国有色桂林矿产地质研究院有限公司 桂林市微电子元件电极材料与生物纳米材料重点实验室,广西 桂林 541004
- 折叠
摘要
使用计算相图方法(CALPHAD)计算Au-Ag-Al的三元相图时,三个边际二元相图(Au-Al,Au-Ag,Ag-Al)的准确性对三元相图的计算有很大的影响,目前Au-Al边际二元相图存在着一定的矛盾.在综合评估Au-Al体系实验数据的基础上,优化和计算了Au-Al合金体系的平衡相图,使用置换式溶体溶液模型描述 Au-Al 体系中液相、Bcc 和 Fcc 相的吉布斯自由能,分别用亚点阵模型(Al)(Au)4、(Al)3(Au)8、(Al)(Au)2、(Al)(Au)和(Al,Au)2(Al,Au)描述AlAu4、Al3Au8、AlAu2、AlAu和Al2Au相,通过Pandat软件优化得到一组各相的热力学参数,计算得到的Au-Al相图与实验数据和热力学数据相吻合.结合Au-Ag和Ag-Al的热力学参数,计算了Au-Ag-Al液相面投影图和等温截面图,液相面投影图显示该三元系存在 8 个四相平衡反应,对Au-Ag-Al合金的研究具有指导意义.
Abstract
When the calculation of phase diagram(CALPHAD)method is applied to the Au-Ag-Al ternary phase diagram,the accuracy of three marginal binary phase diagrams(Au-Al,Au-Ag,Ag-Al)has a great impact on the calculating results.At present,there are some contraditions in the Au-Al marginal binary phase diagram.Therefore,based on a comprehensive evaluation of experimental data for the Au-Al system,the equilibrium phase diagrams were optimised and calculated by using a solid solution model to describe the Gibbs free energy of the liquid,Bcc and Fcc phases in the Au-Al system,and by using the sublattice models(Al)(Au)4,(Al)3(Au)8,(Al)(Au)2,(Al)(Au)and(Al,Au)2(Al,Au)to describe the AlAu4,Al3Au8,AlAu2,AlAu and Al2Au phases.A set of reasonably self-consistent thermodynamic parameters was obtained via optimizing with Pandat software.Au-Al phase diagrams calculated in this way agreed well with the experimental and thermodynamic data.Combined with thermodynamic parameters of Au-Ag and Ag-Al,the Au-Ag-Al liquid-phase,surface projections and isothermal cross-sections were calculated.The liquid-phase surface projections revealed the existence of eight four-phase equilibrium reactions in this ternary system,and these results may be helpful in studying the Au-Ag-Al alloys.
关键词
Au-Ag-Al/计算相图(CALPHAD)/热力学计算/相图Key words
Au-Ag-Al/CALPHAD/thermodynamic calculation/phase diagram引用本文复制引用
基金项目
云南省重大科技计划(202102AB080008-1)
出版年
2024
NETL
NSTL
万方数据