Molecular Dynamics of Water Clusters and Interaction Potentials

被引：0

作者：

Belega, E. D. ^{[1
]}

Trubnikov, D. N. ^{[1
]}

机构：

[1] Lomonosov Moscow State Univ, Fac Chem, Moscow 119991, Russia

来源：

DOKLADY MATHEMATICS | 2019年 / 99卷 / 01期

关键词：

SIMULATION; (H2O)8; MODEL;

D O I：

10.1134/S1064562419010265

中图分类号：

O1 [数学];

学科分类号：

0701 ; 070101 ;

摘要：

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.

引用

页码：83 / 86

页数：4

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