Monte Carlo Calculation of Ice Cluster Energy on the Substrate with a Similar Structure

Autor: Evgeni Zapadinsky, Boris Gorbunov, Markku Kulmala, Vladimir Voloshin
Rok vydání: 1994
Předmět:
Zdroj: Journal of Colloid and Interface Science. 166:286-293
ISSN: 0021-9797
Popis: Monte Carlo simulations of clusters on underlying substrate have been performed. A cluster energy and structure were studied in dependence on a substrate lattice parameter. Computing efforts were focused on the case when a substrate lattice was approximately the same as a bulk crystal lattice consisting of the cluster molecules. Comparison with previously developed approximate methods showed quantitative difference and qualitative agreement. Both Monte Carlo simulations and approximate methods calculations found dependence of cluster characteristics on the substrate lattice parameter. This dependence becomes stronger when the number of molecules in a cluster increases. Monte Carlo simulations also showed that variation in a substrate lattice parameter changed the cluster energy dependence on temperature. These results seem to be important for studies of heterogeneous nucleation and other phenomena where interfacial interaction is involved.
Databáze: OpenAIRE