Rapid solidification and crystal growth of Au3Ag alloy by MD simulation

By means of molecular dynamics techniques under constant temperature and co nstant pressure a series of simulations has been performed on the glass tra nsition and crystallization of Au3Ag. EAM potential functions have been ado pted to describe the atomic interaction. The pair correlation functions of liquid Au3Ag at different cooling rates and temperatures have been used to reveal the structural features of liquid, super-cooled liquid, glass state and crystal. The structure transition of Au3Ag in the cooling process has b een analyzed through thermodynamics and kinetics and the crystal growth of Au3Ag has been observed using the crystal-liquid configuration method. (C) 2001 Elsevier Science B.V. All rights reserved.