MOLECULAR DYNAMICS SIMULATIONS OF MECHANICAL PROPERTIES OF CuNi ALLOYS UNDER PRESSURE

DOI: 10.18173/2354-1059.2021-0030

Tóm tắt

Structural characterization of CuNi alloys during the cooling process at different pressures from 0 GPa to 45 GPa is performed by Molecular dynamics (MD) simulations. The interaction potential used in the calculations for interactions between different types of atoms in the sample is the Quantum Sutton-Chen embedded potential. The increase of the pressure increases crystal-forming temperature. Mechanical properties of these samples at 300 K and different pressures were determined by using the mechanical analysis. The Young modulus of these models increases with the increase of pressure. During the deformation process, the number of disorder atoms increases dramatically in the elastic region and unchanged in the plastic region. Sliding deformation is recognized at different pressure under tensile deformation.