High-temperature dynamic behavior in bulk liquid water: A molecular dynamics simulation study using the OPC and TIP4P-Ew potentials
Classical molecular dynamics simulations were performed to study the high-temperature (above 300 K) dynamic behavior of bulk water, specifically the behavior of the diffusion coefficient, hydrogen bond, and nearest-neighbor lifetimes. Two water potentials were compared: the recently proposed "global...
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Veröffentlicht in: | Frontiers of physics 2018-02, Vol.13 (1), p.25-39, Article 138203 |
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Sprache: | eng |
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