tailieunhanh - Combining the mie-lennard-jones and model atomic potentials in studying the elastic deformation of interstitial alloy FeSi with BCC structure under pressure

In present paper, we will present the theory of elastic deformation for binary interstitial alloys with FCC structure at zero pressure and under pressure builded by the SMM. Then, we apply this theory to study the elastic deformation of interstitial alloy AgC by combining the Mie-Lennard-Jones pair potential [14] and the Morse pair potential. | COMBINING THE MIE LENNARD JONES AND MODEL ATOMIC POTENTIALS IN STUDYING THE ELASTIC DEFORMATION OF INTERSTITIAL ALLOY FeSi WITH BCC STRUCTURE UNDER PRESSURE Abstract. 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. Keywords elastic deformation interstitial alloy Mie Lennard Jones potential model atomic potential and statistical moment method By the statistical moment method SMM we have been studied the elastic deformation for body centered cubic BCC and face centered cubic FCC ternary and binary interstitial alloys under pressure in 1 10 . In these papers we always apply the Mie Lennard Jones pair potential 11 the Morse pair potential 12 and the Finnis Sinclair N body potential 13 . Transition metals such as iron gold silver etc. and their alloys are widely used in structural electrical and other technological applications. The dependence of elastic and nonlinear deformations of materials on temperature and pressure has very important role in order to predict and understand their interatomic interactions strength mechanical stability phase transition mechanisms and dynamical response. Iron silicides have paid attention in recent decades due to their unusual physical properties and functional applications. Silicon has been proposed to be a potential light element in the Earth s core based on density velocity isotopic and geochemical data 14 15 . In order to assess Si as a constituent of the core it is necessary to determine physical properties of Si bearing iron .