摘要
We proposed a simple analytical interatomic potential model by extending the framework of embedded-atom model to include the non-central three-body potentials. This model can be easily applied to treat transition metals and their alloys based on the very recently developed lattice inversion method. We used the model to calculate the phonon density of states and entropy of Fe3AI, and the results were in agreement with the experimental data.
作者
刘绍军
蔡军
段素青
马本堃
LIU Shao-jun;CAI Jun;DUAN Su-qing;MA Ben-kun(Department of Physics,Beijing Normal University,Beijing 100875;CCAST(World Laboratory),P.O.Box 8730,Beijing 100080;Institute of Applied Physics and Computational Mathematics,Beijing 100080)
基金
the Doctoral Foundation of Educational Ministry of China。
