Chin. Phys. Lett.  1999, Vol. 16 Issue (12): 914-916    DOI:
Original Articles |
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
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LIU Shao-jun, CAI Jun, DUAN Su-qing et al  1999 Chin. Phys. Lett. 16 914-916
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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.
Keywords: 61.50.Lt      65.50.+m      63.20.Dj     
Published: 01 December 1999
PACS:  61.50.Lt (Crystal binding; cohesive energy)  
  65.50.+m  
  63.20.Dj  
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https://cpl.iphy.ac.cn/       OR      https://cpl.iphy.ac.cn/Y1999/V16/I12/0914
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LIU Shao-jun
CAI Jun
DUAN Su-qing
MA Ben-kun
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