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The Monte Carlo simulation on the glass transition of C60 crystal

✍ Scribed by Feng Yan; Yening Wang; J.S Liu

Publisher: Elsevier Science
Year: 2000
Tongue: English
Weight: 98 KB
Volume: 61
Category: Article
ISSN: 0022-3697
DOI: 10.1016/s0022-3697(99)00354-6

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✦ Synopsis

The relaxation process of C 60 molecule around glass transition temperature is studied by Monte Carlo simulation, using a new model of the energy barrier of molecule between two orientational states in C 60 crystal, which depends on the state of neighboring molecules. The results show that the relaxation is slightly non-exponential, which can be fit to Kohlrausch-Williams-Watts (KWW) function. The non-exponential factor b is 0:962 ^0:002; and this value reproduces the experimental data that has not been explained before.

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