ISOTHERMAL-ISOBARIC MOLECULAR DYNAMICS SIMULATION OF RAPID SOLIDIFICATION OF LIQUID Ni_3Al

摘要

A series of simulations on the glass transition and crystallization processes of Ni_3Al have been performed. The pair analysis technique are used to reveal the structure features of liquid, supercooled liquid and glass state of Ni_3Al, and structural evolution during rapid solidification. The glass transition temperature and the critical cooling rate are determined.