Slow dynamics of water under pressure

被引:114
作者
Starr, FW [1 ]
Harrington, S
Sciortino, F
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] Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy
[5] Univ Roma La Sapienza, Ist Nazl Fis Mat, I-00185 Rome, Italy
关键词
D O I
10.1103/PhysRevLett.82.3629
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We perform lengthy molecular dynamics simulations to investigate the dynamics of water under pressure at many temperatures and compare with experimental measurements. We calculate the isochrones of the diffusion constant D and find, as observed experimentally, power-law behavior of D as temperature approaches T-c(P). We find that the dynamics are consistent with slowing down due to the transient caging of molecules, as described by the mode-coupling theory (MCT). This supports the hypothesis that the apparent divergences of dynamic quantities along the line T-c(P) in water may be associated with "slowing down" as predicted by MCT. [S0031-9007(99)09047-X].
引用
收藏
页码:3629 / 3632
页数:4
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