Mechanical stability and elastic properties of some FCC metals: A many-body potential applications

Abstract

To represent the total energy of fcc metals(Cu, Ag, Al, Ca, Sr) the potential functions are assumed to be composed of the two-body pairwise Rydberg potential and volume dependent energy $(P_{1}V)$ which represent many body interactions. Energy, stress and elastic moduli calculations are performed on the basis of Rydberg and Rydberg plus$ P_{1}V$ potentials to locate the stress-free bcc phase ön the fee metals. The studied crystals are subjected to unconstrained (100) uniaxial tension and compression for all computations. Also, these potentials are used to calculate the second- and third-order elastic constants, $C_{ ij}$ and $C_{ijk}$. The obtained results are compared with the available experimental data and the agreement is good.