Theoretical Studies of the Liquid State

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Professor David Oxtoby is supported by a grant from the Theoretical and Computational Chemistry Program to perform theoretical studies of the liquid state. His research is directed toward the fundamental properties that underlie the phase transitions between gas, liquid, and crystalline states of matter. Major emphasis is placed on studying the dynamics of these state changes, the rates of nucleation and the rates of crystal growth. Oxtoby will employ modern statistical mechanics methods which he has developed, especially density functional methods, to study these problems. Applications include the condensation of liquids from the vapor, the crystallization of colloidal fluids, and the rapid solidification of metal alloys. %%% Nucleation is a very important physical process which has important implications in such diverse areas as atmospheric chemistry and metallurgy. The dynamics of phase changes depend critically on the nucleation process. Professor Oxtoby has pioneered the development of a theoretical technique known as density functional theory which he is using to study gas phase to liquid phase nucleation, and liquid phase to solid phase nucleation.