Atomistic simulations of the mechanical properties of Au-Ag nanorod

The paper presents the results of the computational study of the mechanical properties of Au-Ag nanowire with core-shell structure. The behavior of nanowire under tensile and shear deformation was investigated by classical molecular dynamic simulations Strain-stress curves were calculated for both tensile and shear loads. The values of the Young modulus and shear modulus were estimated from elastic parts of the obtained strain-stress dependencies. Effective Poisson's ratio was calculated from obtained elastic parameters.