The Monte Carlo simulation on the glass transition of C60 crystal Original Research Article

The relaxation process of C60 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 C60 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.