THE EFFECT OF CRYSTAL-STRUCTURE ON NUCLEATION

New kinetic Monte Carlo computer simulations of the liquid to crystal transition which include structural relationships are presented. The s tructure of the nucleating phase is incorporated on an atomic scale in the simulation of cluster dynamics. It is shown that the consideratio n of these geometric factors requires extensions to the concepts of cr iticality from that conventionally encountered in classical nucleation theory with the use of the capillarity approximation. The implication s of these findings on the analysis of homogeneous nucleation are disc ussed.