Instantaneous normal mode analysis of supercooled water

被引:87
作者
La Nave, E
Scala, A
Starr, FW
Sciortino, F
Stanley, HE
机构
[1] Boston Univ, Ctr Polymer Studies, Boston, MA 02215 USA
[2] Boston Univ, Dept Phys, Boston, MA 02215 USA
[3] Univ Roma La Sapienza, Dipartmento Fis, I-00185 Rome, Italy
[4] Univ Roma La Sapienza, INFM, I-00185 Rome, Italy
关键词
D O I
10.1103/PhysRevLett.84.4605
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We use the instantaneous normal mode approach to provide a description of the local curvature of the potential energy surface of a model for water. We focus on the region of the phase diagram in which the dynamics may be described by mode-coupling theory. We find that the diffusion constant depends on the fraction of directions in configuration space connecting different local minima, supporting the hypothesis that the dynamics are controlled by the geometric properties of configuration space. Furthermore, we find a relation between the number of basins accessed in equilibrium and the connectivity between them.
引用
收藏
页码:4605 / 4608
页数:4
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