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Homogeneous connectivity of potential energy network in a solidlike state of water cluster
- 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
- Subjects :
- Physics
Chemical Physics (physics.chem-ph)
Exponential distribution
Statistical Mechanics (cond-mat.stat-mech)
General Physics and Astronomy
FOS: Physical sciences
Water
Probability density function
Molecular Dynamics Simulation
Potential energy
Exponential function
Maxima and minima
Molecular dynamics
Physics - Chemical Physics
Water cluster
Statistical physics
Physics - Atomic and Molecular Clusters
Physical and Theoretical Chemistry
Atomic and Molecular Clusters (physics.atm-clus)
Condensed Matter - Statistical Mechanics
Weibull distribution
Subjects
Details
- ISSN :
- 10897690
- Volume :
- 138
- Issue :
- 24
- Database :
- OpenAIRE
- Journal :
- The Journal of chemical physics
- Accession number :
- edsair.doi.dedup.....a1c1bb5ad28da91075c0e40811d6ff59