Many-Body Potentials for Intermetallic TiAl Alloy and Its
Point Defect Properties
WANG Tian-Min1, WANG Bao-Yi2, JU Xin2, GU Qiang3, WANG Yue-Xia3, GAO Fei3
1The School of Science, Beijing University of Aeronautics and Astronautics, Beijing 100083
2Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100039
3Department of Materials Science, Lanzhou University, Lanzhou 730000
Many-Body Potentials for Intermetallic TiAl Alloy and Its
Point Defect Properties
WANG Tian-Min1;WANG Bao-Yi2;JU Xin2;GU Qiang3;WANG Yue-Xia3;GAO Fei3
1The School of Science, Beijing University of Aeronautics and Astronautics, Beijing 100083
2Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100039
3Department of Materials Science, Lanzhou University, Lanzhou 730000
Abstract： 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.
WANG Tian-Min;WANG Bao-Yi;JU Xin;GU Qiang;WANG Yue-Xia;GAO Fei. Many-Body Potentials for Intermetallic TiAl Alloy and Its
Point Defect Properties[J]. 中国物理快报, 2001, 18(3): 361-363.
WANG Tian-Min, WANG Bao-Yi, JU Xin, GU Qiang, WANG Yue-Xia, GAO Fei. Many-Body Potentials for Intermetallic TiAl Alloy and Its
Point Defect Properties. Chin. Phys. Lett., 2001, 18(3): 361-363.
2001, Vol. 18 
