Application of a Simple Semi-empirical Interatomic Potential Model to Phonon Density of States of Fe3Al
LIU Shao-jun1,2, CAI Jun1, DUAN Su-qing3, MA Ben-kun1
1Department of Physics, Beijing Normal University, Beijing 100875
2CCAST (World Laboratory), P. O. Box 8730, Beijing 100080
3Institute of Applied Physics and Computational Mathematics, Beijing 100080
Application of a Simple Semi-empirical Interatomic Potential Model to Phonon Density of States of Fe3Al
LIU Shao-jun1,2;CAI Jun1;DUAN Su-qing3;MA Ben-kun1
1Department of Physics, Beijing Normal University, Beijing 100875
2CCAST (World Laboratory), P. O. Box 8730, Beijing 100080
3Institute of Applied Physics and Computational Mathematics, Beijing 100080
Abstract： 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.
LIU Shao-jun;CAI Jun;DUAN Su-qing;MA Ben-kun. Application of a Simple Semi-empirical Interatomic Potential Model to Phonon Density of States of Fe3Al[J]. 中国物理快报, 1999, 16(12): 914-916.
LIU Shao-jun, CAI Jun, DUAN Su-qing, MA Ben-kun. Application of a Simple Semi-empirical Interatomic Potential Model to Phonon Density of States of Fe3Al. Chin. Phys. Lett., 1999, 16(12): 914-916.
1999, Vol. 16 
