MOLECULAR-DYNAMICS STUDY OF REORIENTATIONAL MOTION IN SOLID BENZENE

The nature of molecular reorientations in a molecular dynamics simulat ion of crystalline benzene is extensively studied. The model is shown to reproduce well the experimentally determined temperature and pressu re dependence of the reorientation rate. The correlations of reorienta tional events are examined in more detail than is possible experimenta lly; reorientations are found to occur predominantly as isolated event s, both spatially and temporally, contrary to some previous ideas.