中国塑料 ›› 2025, Vol. 39 ›› Issue (9): 12-17.DOI: 10.19491/j.issn.1001-9278.2025.09.003

• 材料与性能 • 上一篇    下一篇

玻璃态聚合物银纹化机理分析

颜婉华1(), 翟明1(), 阮诗伦2, 申长雨1   

  1. 1.郑州大学力学与安全工程学院,郑州 450001
    2.大连理工大学工业装备结构分析优化与CAE软件全国重点实验室,辽宁 大连 116023
  • 收稿日期:2025-02-11 出版日期:2025-09-26 发布日期:2025-09-22
  • 通讯作者: 翟明(1974—),男,博士,教授,mzhai@zzu.edu.cn
    E-mail:a25341797332001@163.com;mzhai@zzu.edu.cn
  • 作者简介:颜婉华(2001—),女,硕士研究生,a25341797332001@163.com
  • 基金资助:
    大连理工大学工业装备结构分析优化与CAE软件全国重点实验室开放基金资助项目(GZ24116)

Analysis of crazing mechanism of glassy polymers

YAN Wanhua1(), ZHAI Ming1(), RUAN Shilun2, SHEN Changyu1   

  1. 1.School of Mechanics and Safety Engineering,Zhengzhou University,Zhengzhou 450001,China
    2.The National Key Laboratory of Structural Analysis,Optimization,and CAE Software for Industrial Equipment,Dalian University of Technology,Dalian 116023,China
  • Received:2025-02-11 Online:2025-09-26 Published:2025-09-22
  • Contact: ZHAI Ming E-mail:a25341797332001@163.com;mzhai@zzu.edu.cn

摘要:

基于粗粒珠簧模型,采用分子动力学软件LAMMPS模拟玻璃态聚乙烯银纹化过程。采用不同应变速率对模型进行拉伸,分析拉伸过程中材料的微观结构和应力应变,通过原始路径计算材料银纹化过程中分子链的缠结数目,结合能量图分析银纹生长过程中的缠结网络,发现应变速率对材料银纹化过程有较大影响;银纹生长过程是链解纠缠的过程;随着温度的升高,银纹会发生自愈合。

关键词: 聚合物, 银纹, 缠结, 分子模拟, 自愈合, 粗粒珠簧模型

Abstract:

This study investigated the crazing mechanism in glassy polyethylene using coarse⁃grained molecular dynamics simulations with the LAMMPS package. A bead⁃spring model was employed to examine the microstructural evolution and stress⁃strain behavior under tensile deformation at varying strain rates. The analysis included quantification of entanglement density along the original chain paths and characterization of entanglement network evolution through energy landscape mapping. Results indicated significant strain rate dependence in the crazing initiation process. The craze growth mechanism was demonstrated to be fundamentally governed by chain disentanglement. Furthermore, temperature⁃dependent simulations revealed a self⁃healing capability of crazes at elevated temperatures. These findings provide molecular⁃level insights into the deformation mechanisms of glassy polymers under mechanical stress.

Key words: polymer, craze, entanglement, molecular simulation, self?heal, coarse?grained model

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