Molecular Dynamics of Water Clusters
and Interaction Potentials1
E. D. Belegaa,* and D. N. Trubnikova,**
aFaculty of Chemistry, Lomonosov Moscow State University, Moscow, 119991 Russia
Correspondence to: * e-mail: edbelega@gmail.com
Correspondence to: ** e-mail: tdn@phys.chem.msu.ru
1The article was translated by the authors.
Received 24 September, 2018
Abstract—The molecular dynamics method was used to analyze the dynamic characteristics of water clusters in the solid and liquid phase. A criterion is proposed for choosing the interaction potential, which is based on the distributions of the potential energy of cluster molecules in different phases. The connection of the obtained distributions with the dynamics and structure of the hydrogen bonds’ net of the cluster is shown.
DOI: 10.1134/S1064562419010265