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The Monte Carlo simulation on the glass transition of C60crystal

Authors
Journal
Journal of Physics and Chemistry of Solids
0022-3697
Publisher
Elsevier
Publication Date
Volume
61
Issue
7
Identifiers
DOI: 10.1016/s0022-3697(99)00354-6
Keywords
  • C60Crystal
  • D. Phase Transitions
  • Monte Carlo Simulation

Abstract

Abstract 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 β is 0.962±0.002, and this value reproduces the experimental data that has not been explained before.

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