Properties of the double well potential and relaxation processes in a model glass

PhysChemComm Pub Date : 1999-01-01 DOI:10.1039/A901889A
F. Demichelis, G. Viliani, G. Ruocco
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引用次数: 4

Abstract

We use computer simulation to investigate the topology of the potential energy V({R}) and to search for double well potentials (DWPs) in a model glass. By a sequence of newtonian and dissipative dynamics we find different minima of V({R}) and the energy profile along the least action paths joining them. At variance with previous suggestions, we find that the parameters describing the DWPs are correlated. Moreover, the trajectory of the system in the 3N-d configurational phase space follows a quasi-1-d manifold. The motion parallel to the path is characterized by jumps between minima, and is nearly uncorrelated from the orthogonal, harmonic dynamics.
模型玻璃中双阱势和弛豫过程的性质
我们利用计算机模拟研究了模型玻璃中势能V({R})的拓扑结构,并寻找了双阱势(DWPs)。通过牛顿动力学和耗散动力学的序列,我们找到了V({R})的不同最小值以及连接它们的最小作用路径上的能量分布。与先前的建议不同,我们发现描述dwp的参数是相关的。此外,系统在3N-d组态相空间中的轨迹遵循准1-d流形。与路径平行的运动具有在极小值之间跳跃的特征,并且与正交的谐波动力学几乎不相关。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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