Francis W. Starr and H. Eugene Stanley
Department of Physics,
Center for Polymer Studies, and Center for Computational Science
Boston University
Understanding the anomalous properties of liquid water is a long studied problem. Recent work indicates that the behavior of stretched and supercooled water may hold the keys to understanding the known anomalies at ambient temperatures and pressures. Here we present a molecular dynamics simulation of 8000 molecules at a large negative pressure that causes cavitation. The absence of this catastophic event in smaller simulations (fewer molecules) emphasizes the need for large systems to study the properties of stretched water.
The molecular dynamics simulation depicts cavitation of 8000
water molecules interacting via the SPC/E potential. The system
is equilibrating to a temperature of 300K and extremely stretched
pressure of -100MPa. The simulation covers roughly 100ps of real
time.
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