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通过构造C_(60)分子间的相互作用,研究了在不同压力下C_(60)晶体中的取向有序结构.利用计算出来的两个取向之间的能量差和相隔势驿,研究了热平衡时取向占有几率和玻璃化转变温度的压力相关性.结果与实验符合.
By constructing the interaction between C 60 molecules, the ordered ordered structure of C 60 crystals under different pressures was studied. Using the calculated energy difference between the two orientations and the potential barrier, the pressure dependence of the orientation occupancy probability and the glass transition temperature in the thermal equilibrium is studied. The result is consistent with the experiment.