Homogeneous connectivity of potential energy network in a solidlike state of water cluster

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

View graph of relations

Author(s)

Detail(s)

Original languageEnglish
Article number244301
Journal / PublicationJournal of Chemical Physics
Volume138
Issue number24
Publication statusPublished - 28 Jun 2013
Externally publishedYes

Abstract

A novel route to the exponential trapping-time distribution within a solidlike state in water clusters is described. We propose a simple homogeneous network (SHN) model to investigate dynamics on the potential energy networks of water clusters. In this model, it is shown that the trapping-time distribution in a solidlike state follows the exponential distribution, whereas the trapping-time distribution in local potential minima within the solidlike state is not exponential. To confirm the exponential trapping-time distribution in a solidlike state, we investigate water clusters, (H2O)6 and (H2O)12, by molecular dynamics simulations. These clusters change dynamically from solidlike to liquidlike state and vice versa. We find that the probability density functions of trapping times in a solidlike state are described by the exponential distribution whereas those of interevent times of large fluctuations in potential energy within the solidlike state follow the Weibull distributions. The results provide a clear evidence that transition dynamics between solidlike and liquidlike states in water clusters are well described by the SHN model, suggesting that the exponential trapping-time distribution within a solidlike state originates from the homogeneous connectivity in the potential energy network. © 2013 AIP Publishing LLC.

Bibliographic Note

Publication details (e.g. title, author(s), publication statuses and dates) are captured on an “AS IS” and “AS AVAILABLE” basis at the time of record harvesting from the data source. Suggestions for further amendments or supplementary information can be sent to lbscholars@cityu.edu.hk.

Citation Format(s)

Homogeneous connectivity of potential energy network in a solidlike state of water cluster. / Akimoto, Takuma; Kaneko, Toshihiro; Yasuoka, Kenji et al.
In: Journal of Chemical Physics, Vol. 138, No. 24, 244301, 28.06.2013.

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review