摘要
利用Pandat软件优化和计算了Ti-Nb-Zr三元系相图。采用SGTE(scientific group thermodata Europe)数据库中的表达式描述纯组元的吉布斯能,选取置换溶体模型和双亚点阵模型来描述液相和固溶体相。利用Pandat软件的PanOptimizer模块并结合文献中相平衡和热力学性质的实验数据,重新评估了Ti-Nb和Ti-Zr二元系的热力学参数以改善Ti-Nb-Zr三元系的热力学描述。利用优化得到的热力学参数进行相平衡和热力学性质的计算,计算结果与文献实验结果吻合较好,该结果对Ti-Nb-Zr三元系生物医学材料的开发有重要的指导意义。
The optimization and calculation of the phase diagram of a Ti-Nb-Zr ternary system were presented using Pandat software.The Gibbs energy of the pure component was described using the expression provided in the scientific group thermodata Europe database.The substitutional solution and two-sublattice models were used to describe the Gibbs energy of the liquid and solid solution phases,respectively.To improve the description of the Ti-Nb-Zr ternary system,the thermodynamic parameters of the Ti-Nb and Ti-Zr systems were obtained using the PanOptimizer module of Pandat software by considering experimental data on phase equilibrium and published thermodynamic properties.The calculations of the phase equilibrium and thermodynamic properties using the proposed description agreed well with the experimental data.The results have important directive significance to the development of Ti-Nb-Zr ternary system biomedical materials.
作者
徐丽丽
徐勇
许荣福
王志刚
田彬
于美杰
XU Li-li;XU Yong;XU Rong-fu;WANG Zhi-gang;TIAN Bin;YU Mei-jie(School of Materials Science and Engineering,Shandong Jianzhu University,Jinan 250101,China;School of Materials Science and Engineering,Shandong University,Jinan 250061,China)
出处
《山东科学》
CAS
2021年第1期35-42,共8页
Shandong Science
基金
山东大学交叉学科培育项目(2018JCG05)。
