Fast and slow dynamics of hydrogen bonds in liquid water

被引:208
作者
Starr, FW [1 ]
Nielsen, JK
Stanley, HE
机构
[1] Boston Univ, Ctr Polymer Studies, Boston, MA 02215 USA
[2] Boston Univ, Ctr Computat Sci, Boston, MA 02215 USA
[3] Boston Univ, Dept Phys, Boston, MA 02215 USA
[4] Roskilde Univ, Dept Math & Phys, DK-4000 Roskilde, Denmark
基金
美国国家科学基金会;
关键词
D O I
10.1103/PhysRevLett.82.2294
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We study hydrogen-bond dynamics in liquid water at low temperatures using molecular dynamics simulations, and find results supporting the hypothesized continuity of dynamic functions between the liquid and glassy states of water. We find that average bond lifetime (similar to 1 ps) has Arrhenius temperature dependence. We also calculate the bond correlation function decay time (similar to 1 ns) and find power-law behavior consistent with the predictions of the mode-coupling theory, suggesting that the slow dynamics of hydrogen bonds can be explained in the same framework as standard transport quantities.
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页码:2294 / 2297
页数:4
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