NETWORK DEFECTS AND MOLECULAR MOBILITY IN LIQUID WATER

被引：260
作者：
SCIORTINO, F
GEIGER, A
STANLEY, HE
机构：
[1] UNIV DORTMUND,FACHBEREICH CHEM,W-4600 DORTMUND 50,GERMANY
[2] BOSTON UNIV,DEPT PHYS,BOSTON,MA 02215
来源：
JOURNAL OF CHEMICAL PHYSICS | 1992年 / 96卷 / 05期
关键词：
D O I：
10.1063/1.461890
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：
As a step toward elucidating the connection between the structure and mobility of liquid water, we analyze quenched molecular dynamics configurations at different densities. We find that the mobility is directly related to the existence of "topological defects" of the tetrahedral network. The defects act as catalysts, providing lower energy pathways between different tetrahedral local arrangements.
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页码：3857 / 3865
页数：9
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