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

Takuma Akimoto, Toshihiro Kaneko, Kenji Yasuoka, Xiao Cheng Zeng

Research output: Contribution to journalArticle

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.

Original languageEnglish
Article number244301
JournalJournal of Chemical Physics
Volume138
Issue number24
DOIs
Publication statusPublished - 2013 Jun 28

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Potential energy
potential energy
Water
trapping
water
Weibull distribution
Probability density function
Molecular dynamics
Molecular Dynamics Simulation
Computer simulation
probability density functions
routes
molecular dynamics

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry
  • Medicine(all)

Cite this

Homogeneous connectivity of potential energy network in a solidlike state of water cluster. / Akimoto, Takuma; Kaneko, Toshihiro; Yasuoka, Kenji; Zeng, Xiao Cheng.

In: Journal of Chemical Physics, Vol. 138, No. 24, 244301, 28.06.2013.

Research output: Contribution to journalArticle

Akimoto, Takuma ; Kaneko, Toshihiro ; Yasuoka, Kenji ; Zeng, Xiao Cheng. / Homogeneous connectivity of potential energy network in a solidlike state of water cluster. In: Journal of Chemical Physics. 2013 ; Vol. 138, No. 24.
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