HPC MSU

Publication Abstract

Morphological Study of Polymer Crystallization by a Phase-field Model

Asle Zaeem, M., Nouranian, S., Horstemeyer, M., & Wang, P. (2012). Morphological Study of Polymer Crystallization by a Phase-field Model. Conference abstract, TMS 2012 Annual Meeting and Exhibition, March 11-15. Orlando, FL.

Abstract

A finite element-based phase-field model was developed to simulate crystal growth in semicrystalline polymers with various crystal morphologies. The original Kobayashi’s phase-field model for solidification of pure metals was adopted to account for polymer crystallization. Evolution of a non-conserved phase-field variable was considered to track the interface between the melt and the crystalline phases. A local free energy density was used to account for the meta-stable states in polymer solidification. The developed model was successfully applied for simulation of two-dimensional (2D) polymer single- and polycrystalline morphologies (rectangular, orthorhombic, hexagonal, and spherulitic) in polypropylene and polystyrene. These morphologies were compared based on different supercooling and interface anisotropy. The unique aspect of this work is that the employed model is capable of simulating multiple arbitrarily-oriented crystals and has no limitations with respect to the crystal morphology.