Local structural heterogeneities in liquid water under pressure

被引：80

作者：

Canpolat, M ^{[1
]}

Starr, FW

Scala, A

Sadr-Lahijany, MR

Mishima, O

Havlin, S

Stanley, HE

机构：

[1] Boston Univ, Ctr Polymer Studies, Boston, MA 02215 USA

[2] Boston Univ, Dept Phys, Boston, MA 02215 USA

[3] Natl Inst Res Inorgan Mat, Ibaraki, Osaka 305, Japan

[4] Bar Ilan Univ, Minerva Ctr, Ramat Gan, Israel

[5] Bar Ilan Univ, Dept Phys, Ramat Gan, Israel

[6] Istanbul Tech Univ, Dept Phys, TR-80626 Istanbul, Turkey

来源：

CHEMICAL PHYSICS LETTERS | 1998年 / 294卷 / 1-3期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1016/S0009-2614(98)00828-8

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页码：9 / 12

页数：4

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