Effect of rigidity on the crystallization processes of short polymer melts- art. no. 061807

Order formation in crystallization processes of the dense melts of chain mo lecules has been studied by the coarse-grained molecular dynamics method. F or semirigid molecules, the parallel orientation and elongation of chains t ake place simultaneously. However, for semiflexible molecules, long inducti on periods are observed. Time evolution studies of local order parameters i ndicated that two different processes occur, which implies that a precondit ion exists. For flexible molecules, the structures become mostly amorphous at certain sharp threshold conditions of chain rigidity. It was determined that the rigidity of the main chains strongly influences the dynamic behavi or of crystallization for dense melts, particularly in the early stage.