Kinetics of rapid growth and melting of AlNialloying crystals: phase field theoryatomistic simulations revisited.

A revised study of the growth and melting of crystals in congruently melting AlNialloy is carried out by molecular dynamics (MDs) and phase field (PF) methods. An embedded atom method (EAM) potential of Purja Pun and Mishin (200989 3245) is used to estimate the material's properties (density, enthalpy, and self-diffusion) of the B2 crystalline and liquid phases of the alloy. Using the same EAM potential, the melting temperature, density, and diffusion coefficient become well comparable with experimental data in contrast with previous works where other potentials were used.