CTS-9413883 Density functional theories will be used to develop an understanding of the structure and energetics of the solid-fluid interface. The effects of a variety of intermolecular interaction potentials on the interfacial properties and crystallization dynamics will be investigated. The study may provide some insight into the nucleation and growth of crystals in binary mixtures. The results are expected to be important scientifically and also useful in improving separation processes based on solidification.
