Quantitative link between single-particle dynamics and static structure of supercooled liquids

被引:95
作者
Mittal, Jeetain
Errington, Jeffrey R.
Truskett, Thomas M. [1 ]
机构
[1] Univ Texas, Dept Chem Engn, Austin, TX 78712 USA
[2] SUNY Buffalo, Univ Buffalo, Dept Biol & Chem Engn, Buffalo, NY 14260 USA
[3] Univ Texas, Inst Theoret Chem, Austin, TX 78712 USA
关键词
D O I
10.1021/jp064816j
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
We present evidence via molecular simulation that the supercooled fluid states of SPC/E water as well as the "repulsive" and "attractive" supercooled fluid states of a recently introduced model for colloids with short-ranged attractions are characterized by the same functional relationship between self-diffusivity and the pair correlation function. We discuss how this simple relationship connects to an earlier finding that the temperature dependency of a supercooled fluid's single-particle dynamics tracks that of its excess entropy (relative to ideal gas). The generality of this observed structure-property relationship is supported by its ability to successfully describe the nontrivial behaviors of these very different types of model systems.
引用
收藏
页码:18147 / 18150
页数:4
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