Thermo-mechanical properties of V-5Cr-5Ti alloy: 3D molecular dynamics simulation

Abstract

This paper presents the results of the study of 3D molecular dynamics simulation to investigate the thermomechanical properties of the V-5Cr-5Ti ternary alloy. The main purpose of this work is to evaluate the quality of the Finnis-Sinclair potential for V-rich V-Cr-Ti random alloys with a body-centered-cubic (bcc) structure. The results demonstrated that the elastic constants of the V-5Cr-5Ti alloy are close to the corresponding value of pure metal vanadium. The two-phase method coexistence solid-liquid was applied to determine the melting point of this alloy at standard pressure. The equilibrium melting point was found at 2237 K, slightly higher than the melting point of Vanadium at the same pressure. Key words: Thermomechanical, V-5Cr-5Ti, Finnis Sinclair potential, elastic constant, melting point, two-phase method.