Molecular dynamics simulation of norbornene plastic crystal

被引：2

作者：

Affouard, F ^{[1
]}

Descamps, M ^{[1
]}

机构：

[1] Univ Lille 1, Lab Dynam & Struct Mat Mol, CNRS, ESA 8024, F-59655 Villeneuve Dascq, France

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2003年 / 651卷

关键词：

norbornene; plastic crystals; molecular dynamics; supercooled liquids;

D O I：

10.1016/S0022-2860(02)00669-5

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：

Molecular dynamics simulations have been performed on the norbomene plastic crystal in the temperature range 125-320 K. This investigation shows the existence of a remarkable dynamical crossover in the pico-nanosecond regime at the temperature T-A similar or equal to 200 K consistent with previous NMR and union spin rotation experiments performed on the same compound. This temperature corresponds to the onset of non-exponential relaxation and non-Arrhenius behavior very much in keeping with recent views proposed for supercooled liquids. (C) 2003 Elsevier Science B.V. All rights reserved.

引用

页码：217 / 221

页数：5

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