中国物理B ›› 2013, Vol. 22 ›› Issue (10): 106103-106103.doi: 10.1088/1674-1056/22/10/106103

• CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES • 上一篇    下一篇

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

王晓东, 欧阳洁, 苏进, 周文   

  1. Department of Applied Mathematics, Northwestern Polytechnical University, Xi’an 710129, China
  • 收稿日期:2012-12-24 修回日期:2013-03-26 出版日期:2013-08-30 发布日期:2013-08-30
  • 基金资助:
    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.

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

Wang Xiao-Dong (王晓东), Ouyang Jie (欧阳洁), Su Jin (苏进), Zhou Wen (周文)   

  1. Department of Applied Mathematics, Northwestern Polytechnical University, Xi’an 710129, China
  • Received:2012-12-24 Revised:2013-03-26 Online:2013-08-30 Published:2013-08-30
  • Contact: Ouyang Jie E-mail:jieouyang@nwpu.edu.cn
  • Supported by:
    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.

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摘要： 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.

关键词: phase-field, crystallization, polymer, dendritic, lamellar, ring-banded

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.

Key words: phase-field, crystallization, polymer, dendritic, lamellar, ring-banded

中图分类号:  (Theory of crystal structure, crystal symmetry; calculations and modeling)

  • 61.50.Ah
81.30.-t (Phase diagrams and microstructures developed by solidification and solid-solid phase transformations)