COMBINING THE MIE-LENNARD-JONES AND MODEL ATOMIC POTENTIALS IN STUDYING THE ELASTIC DEFORMATION OF INTERSTITIAL ALLOY FeSi WITH BCC STRUCTURE UNDER PRESSURE
DOI: 10.18173/2354-1059.2020-0030
Từ khóa:
elastic deformation, interstitial alloy, Mie-Lennard-Jones potential, model atomic potential, and statistical moment method
Tóm tắt
The mean nearest neighbor distance between two atoms, the Helmholtz free energy and characteristic quantities for elastic deformation such as elastic moduli E, G, K, and elastic constants C11, C12, C44 for binary interstitial alloys with BCC structure under pressure are derived from the statistical moment method. The numerical calculations for interstitial alloy FeSi are performed by combining the Mie-Lennard-Jones potential and the model atomic potential. Our calculated results are compared with other calculations and the experimental data.
