摘要
采用CALPHAD(calculation of phase diagram)方法对Fe-V和Ni-V二元系进行了热力学优化,并结合第一性原理计算,利用(A,B)_(10)(A,B)_(4)(A,B)_(16)三亚点阵模型描述σ相,首次成功地描述了σ相的占位分数。使用优化的模型参数不仅可以描述Fe-V和Ni-V系热化学性质,而且可以很好地重现Fe-V和Ni-V系的相平衡关系,为高熵合金多组元热力学数据库的建立奠定基础。
Thermodynamic optimization of the Fe-V and Ni-V binary systems was carried out by means of the CALPHAD(calculation of phase diagram)method,and combined with the first principles calculations,the(A,B)_(10)(A,B)_(4)(A,B)_(16)three-sublattice model was adopted to describe theσphase,the site occupancy of theσphase was successfully described for the first time.The optimized model parameters could not only describe the thermochemical properties,but also effectively reproduce the phase equilibrium relationship in the Fe-V and Ni-V systems,laying the foundation for the establishment of a multi-component thermodynamic database for high entropy alloys.
作者
刘璇
潘勤
郑伟森
鲁晓刚
LIU Xuan;PAN Qin;ZHENG Weisen;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
2024年第5期71-80,94,共11页
Shanghai Metals
基金
国家自然科学基金(51901124)。
