Modeling of Phase Transitions in Weakly Bound Molecular Clusters |
| |
Authors: | E. D. Belega D. N. Trubnikov A. I. Chulichkov |
| |
Affiliation: | 1.Faculty of Chemistry,Moscow State University,Moscow,Russia;2.Faculty of Physics,Moscow State University,Moscow,Russia |
| |
Abstract: | The method of molecular dynamics was used for modeling the isomerization of a hydrogen bonding network in small water clusters (hexamer and octamer). The collective modes of the particles moving in the clusters were determined by applying principal component analysis. An entropy criterion for phase transitions in water clusters was suggested. This criterion can be used to study phase transitions in weakly bound atomic and molecular clusters. |
| |
Keywords: | |
本文献已被 SpringerLink 等数据库收录! |
|