文章摘要
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
投稿时间:2023-02-16  
DOI:
中文关键词: Au-Ag-Al  计算相图(CALPHAD)  热力学计算  相图
英文关键词: Au-Ag-Al  CALPHAD  thermodynamic calculation  phase diagram
基金项目:云南省重大科技计划(202102AB080008-1)
作者单位
邓力川 昆明理工大学 材料科学与工程学院昆明 650093 
王效琪 昆明理工大学 材料科学与工程学院昆明 650093 
周晓龙 昆明理工大学 材料科学与工程学院昆明 650093 
于杰 昆明理工大学 材料科学与工程学院昆明 650093 
刘满门 昆明贵金属研究所昆明 650106 
王立惠 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 
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中文摘要:
      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。
英文摘要:
      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.
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