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25 April 2024
 
  » arxiv » 1306.5830

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Homogeneous Connectivity of Potential Energy Network in a Solidlike State of Water Cluster
Takuma Akimoto ; Toshihiro Kaneko ; Kenji Yasuoka ; Xiao Cheng Zeng ;
Date 25 Jun 2013
AbstractA 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.
Source arXiv, 1306.5830
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