MOLECULAR DYNAMICS SIMULATIONS OF MECHANICAL PROPERTIES OF CU70NI30 ALLOY

Abstract

The mechanical properties of polycrystalline Cu70Ni30 sample was simulated by Molecular dynamics (MD) simulations. The interaction potential used in the calculations for interactions between atoms in the sample is the Quantum Sutton-Chen embedded potential. This sample at temperature of 300 K consists of the face-centered cubic (fcc), hexagonal closest packed (hcp) structures and few disordered structures. Mechanical properties of this sample was determined by using the uniaxial tensile test. With increasing strain, the crystal structures disintegrate into disordered structures. During deformation process, the number of big simplexes with RS ³ 1.95 Å increase and this process occurs only in the disordered structures. The shear band is formed under the deformation process. The big simplexes form in the shear band and causing the crack propagation.