Monte Carlo modeling of kinetics of polymer crystal growth: Regime III and its implications on chain morphology

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Abstract
A Monte Carlo simulation of polymer crystal growth from the melt is presented. This two-dimensional model approximates growth by laying down crystal stems one at a time. The Monte Carlo simulation of various geometric models of the crystal surface yields Regime I and Regime II growth similar to that predicted by Lauritzen and Frank. The analytical expression of Frank is shown to be accurate. A recent prediction by Hoffman of a low temperature region (Regime III) with properties similar to Regime I has been verified. Regime III is lattice dependent. Specifically the solid-on-solid model commonly used to model monatomic systems yields Regime III but is not space filling. The hexagonal lattice yields correctly formed crystals but does not show Regime III as long as we require that the crystals grow on one plane. On the hexagonal lattice, if we allow growth on more than one growth plane, we obtain both space filling crystals and Regime III growth. There are no regimes of growth other than the three discussed here.