Heterogeneous–homogeneous transition and anomaly of density in SPC/E water examined by molecular dynamics simulations

Junko Habasaki

Physica A: Statistical Mechanics and its Applications, 2019, vol. 527, issue C

Abstract: Molecular dynamics (MD) simulations of SPC/E water have been performed to characterize anomaly of water such as density maximum and minimum observed in temperature dependence and polyamorphism related them.

Keywords: Water; Density anomaly; Molecular dynamics simulations; Polyamorphism; Networks; Distribution of coordination numbers (search for similar items in EconPapers)
Date: 2019
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:527:y:2019:i:c:s0378437119308118

DOI: 10.1016/j.physa.2019.121391

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