### 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.

Original language | English |
---|---|

Article number | 244301 |

Journal | Journal of Chemical Physics |

Volume | 138 |

Issue number | 24 |

DOIs | |

Publication status | Published - 2013 Jun 28 |

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### ASJC Scopus subject areas

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

### Cite this

*Journal of Chemical Physics*,

*138*(24), [244301]. https://doi.org/10.1063/1.4811289

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

Research output: Contribution to journal › Article

*Journal of Chemical Physics*, vol. 138, no. 24, 244301. https://doi.org/10.1063/1.4811289

}

TY - JOUR

T1 - Homogeneous connectivity of potential energy network in a solidlike state of water cluster

AU - Akimoto, Takuma

AU - Kaneko, Toshihiro

AU - Yasuoka, Kenji

AU - Zeng, Xiao Cheng

PY - 2013/6/28

Y1 - 2013/6/28

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=84879919729&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84879919729&partnerID=8YFLogxK

U2 - 10.1063/1.4811289

DO - 10.1063/1.4811289

M3 - Article

VL - 138

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 24

M1 - 244301

ER -