摘要
For intermetallic compound TiAl,the interatomic potentials in the Finnis-Sinclair model were constructed by empirically fitting to the properties of L10 TiAl tetragonal phase and the pressure-volume relations.In the calculations of point defect properties of TiAl alloy with this potentials,it was shown that the thermal concentration of antisite defects was higher than that of other point defects.With similar formation energies,five possible interstitial configurations were stable.This model was consistent with the embedded atom method or embedded defect method and adequate for simulation of defects in TiAl alloy.
作者
王天民
王宝义
巨新
顾强
王月霞
高飞
WANG Tian-Min;WANG Bao-Yi;JU Xin;GU Qiang;WANG Yue-Xia;GAO Fei(The School of Science,Beijing University of Aeronautics and Astronautics,Beijing 100083;Institute of High Energy Physics,Chinese Academy of Sciences,Beijing 100039;Department of Materials Science,Lanzhou University,Lanzhou 730000)
基金
Supported by the National Natural Science Foundation of China under Grant No.59895150.
