MOLECULAR DYNAMICS SIMULATIONS OF CRYSTALLIZATION AND GLASS FORMATION IN PURE AND BINARY LIQUID METALS: Ni AND Ni-Zr
A molecular dynamics simulation is carried out to obtain an atomistic description of melting, glass formation and crystallization process for pure Ni and alloy based upon the second moment approximation (SMA) to the tight binding (TB) potential. Using cooling rate in the range of to we find that pure Ni always evolves crystal while liquid always becomes glass. The relation between the cooling rate and crystallization or glass transition temperature is revealed. Mismatch in atomic size tends to support the formation of glass. The results show that TB potential may correctly predict the melting, glass transition, and crystallization temperature during the heating and cooling processes.
glass formation, molecular dynamics simulation, tight binding potential, quenching rate.
