Simulation of phase transformations in titanium nanoalloy at different cooling rates

In this report, a series of computer simulations on phase transformations in Ti6Al4V 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 Ti6Al4V 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. [Display omitted] •The cooling rate significantly affects the structure of nanoalloy Ti6Al4V after freezing.•The magnitude of the cooling rate determines the associated processes of structure formation.•Phase transformations in nanoalloy Ti6Al4V differ from those of the corresponding bulk phase.•The amorphization temperature of Ti6Al4V with a diameter of 4 nm was determined.•The amorphization temperature range weakly depends on the nanoparticle's cooling rate.