摘要
运用CALPHAD方法和Thermo-Calc软件,对Ni-Re和Co-Re二元系的热力学参数进行了重新评估,得到了与试验数据及第一性原理计算结果吻合较好的热力学数据。根据得到的热力学数据,对Ni-Re和Co-Re相图进行了重新优化,建立了更为合理的二元系相图。计算所得一系列热力学参数,可作为外推建立Ni-Co-Re等高元体系数据库的基础。
Thermodynamic parameters of Ni-Re and Co-Re binary systems were re-evaluated by using a CALPHAD method and Thermo-Calc software.It was found that the presently assessed Ni-Re and Co-Re thermodynamic data were in good agreement with the experimental data and first-principles calculation results.Based on the obtained thermodynamic data,the Ni-Re and Co-Re phase diagrams were re-optimized and more reasonable binary system phase diagrams have been established.The obtained thermodynamic parameters could be further used to build a Ni-Co-Re high-order database.
作者
史中文
夏成辉
刘微
鲁晓刚
SHI Zhongwen;XIA Chenghui;LIU Wei;LU Xiaogang(School of Materials Science and Engineering, Shanghai University, Shanghai 200444, China;Materials Genome Institute, Shanghai University, Shanghai 200444, China)
出处
《上海金属》
CAS
2021年第2期99-104,113,共7页
Shanghai Metals
基金
国家重点研发计划(No.2017YFB0701502)。
