Simulation of growth and surface roughening of polymer single crystals
Abstract
The growth of polymer single crystals has been simulated with the three-dimensional ‘entropic barrier’ model according to Sadler and Gilmer. The growth rate and lamellar thickness behaviour typical for polymers has been reproduced for a large range of interaction energy parameters. An increase in the slope of the growth-rate plot at high undercooling can be linked to a kinetic roughening of the basal plane. Furthermore, there is evidence for a near-equilibrium roughening of the basal plane. The fractal dimension of the ‘rough’ basal plane was determined to be ca. 2.2. Rough growth was found to lead to a splitting of the lamella in some cases.