Estimation of the critical vitrification rate of pure metals using molecular dynamics simulation

A molecular dynamics simulation method was applied for estimation of critical cooling rates (v_c) that required for amorphization of pure metals: Mg, Al, Ti, Fe, Co, Ni, Cu, Zr, Mo, Pd, Ag, Ta, W, Pt, Au, and Pb. The range of values vc was found to be from 7.9 × 10¹¹ K/s for Al to 3.8 × 10¹³ K/s for Zr. The atomic structure obtained at different cooling rates is described. A dependence of the specific volume on temperature was investigated both during the amorphization and crystallization processes. The modelling shows, which metals have the highest temperature range of long-term stability of the amorphous phase (Fe, Mo, Ta, W). Estimates were given for the maximum radius of a melt drop that can be cooled at a rate of v_c. The obtained simulation results were compared with available experimental data.