Relation between structural and dynamical anomalies in supercooled water

被引：63

作者：

Netz, PA

Starr, FW

Barbosa, MC

Stanley, HE

机构：

[1] UFRGS, Inst Fis, BR-91501970 Porto Alegre, RS, Brazil

[2] ULBRA, Dept Quim, Canoas, RS, Brazil

[3] Natl Inst Stand & Technol, Ctr Theoret & Computat Mat Sci, Gaithersburg, MD 20899 USA

[4] Natl Inst Stand & Technol, Div Polymers, Gaithersburg, MD 20899 USA

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

来源：

PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS | 2002年 / 314卷 / 1-4期

关键词：

water; supercooled; anomalies;

D O I：

10.1016/S0378-4371(02)01083-X

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We step toward the elucidation of the relation between the structural and dynamic anomalies in supercooled water. We present the results of molecular dynamics simulations of the extended simple point charge (SPC/E) model of water for the translational and rotational diffusion and for the number of neighbors and hydrogen bonds. We find that the product of diffusion coefficient and relaxation time is nearly constant. The coupling between the two mobilities is explained in the framework of the structural anomalies. (C) 2002 Elsevier Science B.V. All rights reserved.

引用

页码：470 / 476

页数：7

共 33 条

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