Dynamics of the rotational degrees of freedom in an undercooled crystal of cyanoadamantane

被引：0

作者：

Affouard, F ^{[1
]}

Descamps, M ^{[1
]}

机构：

[1] Univ Lille 1, UFR Phys, Lab Dynam & Struct Mat Moleculaires, URA 801, F-59655 Villeneuve Dascq, France

来源：

PHASE TRANSITIONS | 2003年 / 76卷 / 9-10期

关键词：

MD simulation; glassy crystals; mode coupling theory;

D O I：

10.1080/01411590310001601872

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

Results of molecular dynamics are presented for a simple model of cyanoadamantane crystal. Rotator cubic phase was simulated over a wide range of temperatures. In this system, glass formation is not induced by quenched diluted disorder, but it occurs similarly to conventional glasses. Simulations have shown that the system evolves from free small-step rotational diffusion to jump like motion. The results obtained with this model are used to discuss the validity of the Mode Coupling Theory (MCT) predictions.

引用

页码：781 / 785

页数：5

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