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

doi:10.1088/1674-1056/22/10/106103

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.

Keywords: phase-field crystallization polymer dendritic lamellar ring-banded

Received: 24 December 2012
Revised: 26 March 2013
Accepted manuscript online:

PACS:	61.50.Ah	(Theory of crystal structure, crystal symmetry; calculations and modeling)
	81.30.-t	(Phase diagrams and microstructures developed by solidification and solid-solid phase transformations)

Fund: Project supported by the National Key Basic Research Program of China (973 Program) (Grant No. 2012CB025903), the Foundation for Fundamental Research of Northwestern Polytechnical University, China (Grant No. JCY20130141), the Doctorate Foundation of Northwestern Polytechnical University, China (Grant No. cx201019), and the Fund for Doctoral Students Newcomer Awards from the Ministry of Education of China.

Corresponding Authors: Ouyang Jie
E-mail: jieouyang@nwpu.edu.cn

Cite this article:

Wang Xiao-Dong (王晓东), Ouyang Jie (欧阳洁), Su Jin (苏进), Zhou Wen (周文) A phase-field model for simulating various spherulite morphologies of semi-crystalline polymers 2013 Chin. Phys. B 22 106103

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

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