4.5 Article Proceedings Paper

Pressure dependence of dynamical heterogeneity in water

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JOURNAL OF PHYSICS-CONDENSED MATTER
卷 20, 期 24, 页码 -

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IOP PUBLISHING LTD
DOI: 10.1088/0953-8984/20/24/244116

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Using molecular dynamics simulations we investigate the effect of pressure on the dynamical heterogeneity in water. We show that the effect of a pressure variation in water is qualitatively different from the effect of a temperature variation on the dynamical heterogeneity in the liquid. We observe a strong decrease of the aggregation of molecules of low mobility together with a decrease of the characteristic time associated with this aggregation. However, the aggregation of the most mobile molecules and the characteristic time of this aggregation are only slightly affected. In accordance with this result, the non-Gaussian parameter shows an important decrease with pressure while the characteristic time t* of the non-Gaussian parameter is only slightly affected. These results highlight then the importance of pressure variation investigations in low temperature liquids on approach to the glass transition.

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