Modeling of phase transitions in weakly bound molecular clusters (Q1732064)
From MaRDI portal
 | This is the item page for this Wikibase entity, intended for internal use and editing purposes. Please use this page instead for the normal view: Modeling of phase transitions in weakly bound molecular clusters |
scientific article; zbMATH DE number 7036531
| Language | Label | Description | Also known as |
|---|---|---|---|
| default for all languages | No label defined |
||
| English | Modeling of phase transitions in weakly bound molecular clusters |
scientific article; zbMATH DE number 7036531 |
Statements
Modeling of phase transitions in weakly bound molecular clusters (English)
0 references
15 March 2019
0 references
The method of molecular dynamics is used for modeling the isomerization of a hydrogen bonding network in small water clusters. Furthermore, applying principal component analysis, the authors consider the collective modes of the particles moving in the clusters. They observe that the presence on an abrupt jump in the entropy of the octamer serves as a marker of a phase transitions.
0 references
phase transition
0 references
molecular cluster
0 references
entropy
0 references
0.784645676612854
0 references
0.6776296496391296
0 references
