MEAM Potential with Angular Dependence for TiAl

作     者：Xiaodong Ni, Xitao Wang, Guoliang Chen (Physics Department, University of Science and Technology Beijing, Beijing 100083, China State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083, China) 

作者机构：北京科技大学 新金属材料国家重点实验室 北京 100083 北京科技大学 北京 100083 

出 版 物：《Rare Metals》 (稀有金属（英文版）)

年 卷 期：2001年第20卷第1期

页      面：13-17页

核心收录：

学科分类：0806[工学-冶金工程] 08[工学] 0805[工学-材料科学与工程（可授工学、理学学位）] 080502[工学-材料学] 0703[理学-化学] 0702[理学-物理学] 

基　　金：the National Natural Science Foundation of China 

主　　题：embedded atom method TiAl alloy angular dependence potential intermetallics 

摘      要：The modified embedded atom method (MEAM) is an empirical extension of the embedded atom method (EAM) that includes angular forces. By fitted to the lattice constants, the cohesive energy, the APE (anti-phase boundary) energy, and the vacancy formation energy of TiAl, an accurate MEAM potential is obtained for the TiAl system with L10 structure. The calculation results of the properties of TiAl are in good agreement with experiments and the results of first principle (F.P.) calculations.