Chain dynamics on polymer crystallization from a stretched amorphous state: a molecular dynamics simulation

摘要

We have performed the molecular dynamics (MD) simulations of polymer crystallization from a stretched amorphous state, employing a linear poly(ethylene) molecular model. During the simulation, the crystal domain emerged and grew in the amorphous state, whereas the shape of the whole polymer chain remained effectively unchanged. The MD simulation suggests the ordering initiates from the segments with a spatial scale smaller than the stem length, and from many places in a chain. In this study, the change in the molecular motion of subchain during crystallization and its dependence on the size of the subchain are examined.