Modeling of Phase Transitions in Weakly Bound Molecular Clusters
- 作者: Belega E.D.1, Trubnikov D.N.1, Chulichkov A.I.2
-
隶属关系:
- Faculty of Chemistry
- Faculty of Physics
- 期: 卷 98, 编号 3 (2018)
- 页面: 592-595
- 栏目: Mathematics
- URL: https://journals.rcsi.science/1064-5624/article/view/225590
- DOI: https://doi.org/10.1134/S1064562418070177
- ID: 225590
如何引用文章
详细
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.
作者简介
E. Belega
Faculty of Chemistry
编辑信件的主要联系方式.
Email: EDBelega@gmail.com
俄罗斯联邦, Moscow, 119991
D. Trubnikov
Faculty of Chemistry
Email: EDBelega@gmail.com
俄罗斯联邦, Moscow, 119991
A. Chulichkov
Faculty of Physics
Email: EDBelega@gmail.com
俄罗斯联邦, Moscow, 119991
补充文件
