Back to Search Start Over

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

Authors :
Toshihiro Kaneko
Kenji Yasuoka
Xiao Cheng Zeng
Takuma Akimoto
Source :
The Journal of chemical physics. 138(24)
Publication Year :
2013

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, $($H${}_2$O$)_6$ and $($H${}_2$O$)_{12}$, 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.<br />Comment: 9 pages, 8 figures

Details

ISSN :
10897690
Volume :
138
Issue :
24
Database :
OpenAIRE
Journal :
The Journal of chemical physics
Accession number :
edsair.doi.dedup.....a1c1bb5ad28da91075c0e40811d6ff59