NETWORK DEFECTS AND MOLECULAR MOBILITY IN LIQUID WATER

被引：261

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.

引用

页码：3857 / 3865

页数：9

共 54 条

[1] SUPERCOOLED WATER - APPROACHING THE LIMITS
ANGELL, CA
[J]. NATURE, 1988, 331 (6153) : 206 - 207
[2] SUPERCOOLED WATER
ANGELL, CA
[J]. ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1983, 34 : 593 - 630
[3] ANGELL CA, 1991, HYDROGEN BONDED LIQU
[4] ANGELL CA, 1985, MATER RES SOC S P, V63, P85
[5] IS LIQUID WATER REALLY ANOMALOUS
BASSEZ, MP
LEE, J
ROBINSON, GW
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (22) : 5818 - 5825
[6] Berendsen HJC, 1981, INTERMOLECULAR FORCE, P331, DOI [DOI 10.1007/978-94-015-7658-1_21, 10.1007/978-94-015-7658-1_21]
[7] CONNECTIVITY OF HYDROGEN-BONDS IN LIQUID WATER
BLUMBERG, RL
STANLEY, HE
GEIGER, A
MAUSBACH, P
[J]. JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (10) : 5230 - 5241
[8] BRAWER SA, 1981, J CHEM PHYS, V75, P3516, DOI 10.1063/1.442461
[9] MOLECULAR TRANSPORT IN LIQUIDS AND GLASSES
COHEN, MH
TURNBULL, D
[J]. JOURNAL OF CHEMICAL PHYSICS, 1959, 31 (05) : 1164 - 1169
[10] ASPECTS OF THE PERCOLATION PROCESS FOR HYDROGEN-BOND NETWORKS IN WATER
GEIGER, A
STILLINGER, FH
RAHMAN, A
[J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (09) : 4185 - 4193

← 1 2 3 4 5 6 →