Connection between Adam-Gibbs theory and spatially heterogeneous dynamics
Connection between Adam-Gibbs theory and spatially heterogeneous dynamics
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DOI：
10.1103/physrevlett.90.085506
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发表时间：
2003-02-28
影响因子：
8.6
通讯作者：
Stanley, HE
中科院分区：
文献类型：
--
作者：
Giovambattista, N;Buldyrev, SV;Stanley, HE
我们用分子动力学模拟方法研究了水的扩展简单点电荷模型中的空间非均相动力学。我们将移动粒子团簇的平均质量n(*)与扩散常数和构型熵联系起来。因此，n(*)可以解释为形成过冷液体动力学的Adam-Gibbs理论基础的“协同重排区域”的质量。我们还考察了这些瞬变团簇的时间和温度依赖性。
We investigate the spatially heterogeneous dynamics in the extended simple point charge model of water using molecular dynamics simulations. We relate the average mass n(*) of mobile particle clusters to the diffusion constant and the configurational entropy. Hence, n(*) can be interpreted as the mass of the "cooperatively rearranging regions" that form the basis of the Adam-Gibbs theory of the dynamics of supercooled liquids. We also examine the time and temperature dependence of these transient clusters.