CuInconel 718合金Nb偏析影响机理的第一性原理研究
李亚敏, 张瑶瑶, 赵旺, 周生睿, 刘洪军

First-Principles Study on the Effect of Cu on Nb Segregation in Inconel 718 Alloy
LI Yamin, ZHANG Yaoyao, ZHAO Wang, ZHOU Shengrui, LIU Hongjun
表3 计算体系的形成热与结合能
Table 3 Calculated formation heats and binding energies of the system
FormulaFormation enthalpy / (eV·atom-1)Cohesive energy / (eV·atom-1)Total energy / eV
Ni19Fe6Cr6Nb-81.6314-10.3420-47349.2553
Ni18Fe6Cr6NbCu-81.6141-10.2053-47470.1808