Mechanical and thermodynamical properties of β Cu Al Mn alloys along the Cu3Al → Cu2AlMn compositional line

Abstract

The elastic properties of Cu − Al − Mn alloys with compositions along the Cu3Al → Cu2AlMn line and bcc-based structures, are studied by means of first-principles calculations. From the calculated elastic constants, the Zener's anisotropy, sound velocities and Debye temperature are determined. The theoretical results compare well with the available experimental data. The influence of vibrations is introduced through the quasi-harmonic Debye model, and different properties are studied as functions of temperature and composition.