Effect of cooling rate on structural transformations in Ti-Al-V nanoalloy: molecular dynamics study

Abstract

Abstract Using the isothermal molecular dynamics and the tight-binding potential, crystallization of Ti6Al4V nanodroplets was simulated. The objects of the research consisted of 2869 atoms, including 172 Al atoms and 115 V ones. The OVITO program was employed to recognize local structures and nanophases arisen in the course of cooling nanoalloy with the cooling rates of 0.1 and 0.4 K/ps. We have found that the cooling rate effect on the structure of the Ti6Al4V nanoalloy and the thermally induced structural transformations is much more pronounced than the size effect.