Molecular dynamics simulation of single crystal copper with silver impurities.

Abstract

Through molecular dynamics simulations we have investigated the behavior of a single crystal copper dopped with silver impurities (0.1, 0.2 and 0.4 at % Ag) ranged at different temperatures (0.1, 100 and 300 K) under the action the stress tensor . The stress tensor is applied along of the surface in the crystallographic plane(100). Silver atoms are placed randomly on the copper, by replacing. The simulation shows thermodynamic stability properties and altering the sample fractures the crystal structure of this .