Simulation of phase transformations in titanium nanoalloy at different cooling rates

Abstract In this report, a series of computer simulations on phase transformations in T i 6 A l 4 V nanoalloy was performed. It was established that the cooling rate greatly affects the structure of ternary titanium nanoalloy. An estimation of the amorphization and crystallization temperatures for T i 6 A l 4 V nanoparticles was obtained for the first time, to the best of our knowledge. The simulation of phase transformations in the nanoalloy facilitates the identification of specific features of the structure formation process that are not present in the bulk phase. Such features can be caused by the small volume of the nanoparticles and the greater diffusion mobility of the atoms in the nanoalloy. They are also attributable to the characteristic separation of atoms due to differences in the surface tension, taking into account the corresponding size dependence.