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.  
Highlights
Considering the latest advances in production technology, Vanadium based alloys can be considered to be one of the most promising structural materials from the point of view of an application for a number of future thermonuclear systems, since they have high strength values at a temperature of 400 to 700°С, decent thermal creep behaviour, has good thermal conductivity and quite high radiation resistance under neutron irradiation, and much lighter than most metals, and long operating lifetime in the fusion environment
There has been much research, including theoretical end experiment, in an effort to search for highperformance V-based alloys which can afford the extreme environment of fusion reactors (Matsui et al, 1996; Kurtz et al, 2004)
Until recently there is only one empirical potential for V-Cr-Ti ternary alloys, which was developed by Fu et al (2017) using a fitting method from experiment data and first-principles calculation (theoretical data of alloys (V15Ti, V15Cr and Ti8Cr8))
Summary
Thermo-mechanical properties of V-5Cr-5Ti alloy: 3D molecular dynamics simulation. 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 bodycentered-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
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