Effects of size and surface/interface on melting of clusters and thin films are studies with molecular dynamics (MD) via many-body type interatomic potentials. Providing coherent/semicoherent grain boundary conditions, the melting points of confined clusters and thin films at given sizes can be significantly elevated The relationship between the degree of superheating and size can be well predicted using the homogeneous nucleation theory for melting In strengthening the constraint conditions, such as by limiting the nucleation size to be small enough, the melting point can be significantly elevated to and even beyond the upper-limit predicted using other thermodynamic or mechanical models. (C) 1999 Acta Metallurgica Inc.
修改评论