CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES

A phase-field model for simulating various spherulite morphologies of semi-crystalline polymers

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2013 Chinese Physical Society and IOP Publishing Ltd
, , Citation Wang Xiao-Dong et al 2013 Chinese Phys. B 22 106103 DOI 10.1088/1674-1056/22/10/106103

1674-1056/22/10/106103

Abstract

A modified phase-field model is proposed for simulating the isothermal crystallization of polymer melts. The model consists of a second-order phase-field equation and a heat conduction equation. It obtains its model parameters from the real material parameters and is easy to use with tolerable computational cost. Due to the use of a new free energy functional form, the model can reproduce various single crystal morphologies of polymer melts under quiescent conditions, including dendritic, lamellar branching, ring-banded, breakup of ring-banded, faceted hexagonal, and spherulitic structures. Simulation results of isotactic polystyrene crystals demonstrate that the present phase-field model has the ability to give qualitative predictions of polymer crystallization under isothermal and quiescent conditions.

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10.1088/1674-1056/22/10/106103