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

作　　者：王晓东 欧阳洁 苏进 周文 

机构地区：[1]Department of Applied Mathematics,Northwestern Polytechnical University

出　　处：《Chinese Physics B》2013年第10期387-393,共7页中国物理B（英文版）

基　　金：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);the Fund for Doctoral Students Newcomer Awards from the Ministry of Education of China

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.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 

分 类 号：O631.3[理学—高分子化学]