Local structural heterogeneities in liquid water under pressure


Canpolat M., Starr F., Scala A., Sadr-Lahijany M., Mishima O., Havlin S., ...Daha Fazla

CHEMICAL PHYSICS LETTERS, cilt.294, ss.9-12, 1998 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 294
  • Basım Tarihi: 1998
  • Doi Numarası: 10.1016/s0009-2614(98)00828-8
  • Dergi Adı: CHEMICAL PHYSICS LETTERS
  • Sayfa Sayıları: ss.9-12

Özet

We investigate the local structural heterogeneities that may appear in liquid water by studying a model of interacting water pentamers, We find local energy minima which we identify with well-defined configurations, and advance the hypothesis that one of these configurations may be related to local "high-density" structural heterogeneities occurring in liquid water when subjected to high pressure. Our results are consistent with experimental data on the effect of high pressure on the radial distribution function, and are further tested by molecular dynamics simulations reported here. (C) 1998 Published by Elsevier Science B,V. All rights reserved.