缠结网络拓扑约束对聚合物应变诱导结晶过程的影响

温建龙; 张桁宾; 聂仪晶

doi:10.11777/j.issn1000-3304.2026.26082

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缠结网络拓扑约束对聚合物应变诱导结晶过程的影响

研究论文 | 更新时间：2026-07-06

- 缠结网络拓扑约束对聚合物应变诱导结晶过程的影响
- Effect of Entangled Network Topology Constraints on the Strain-induced Crystallization Process of Polymers
- 高分子学报 2026年页码：1-10
- 作者机构：
  
  1.江苏大学材料科学与工程学院镇江 212013
  2.陕西理工大学材料科学与工程学院汉中 723001
- 作者简介：
  
  E-mail: nieyijing@ujs.edu.cn
- 基金信息：
  
  国家自然科学基金(基金号 ┣52573023);52173020┫
- DOI：10.11777/j.issn1000-3304.2026.26082
  中图分类号：
- CSTR：32057.14.GFZXB.2026.7613
- 收稿：2026-03-19，
  
  录用：2026-04-27，
  
  网络首发：2026-07-06，
- 稿件说明：
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温建龙, 张桁宾, 聂仪晶. 缠结网络拓扑约束对聚合物应变诱导结晶过程的影响. 高分子学报, doi: 10.11777/j.issn1000-3304.2026.26082.

Wen, J. L.; Zhang, H. B.; Nie, Y. J. Effect of entangled network topology constraints on the strain-induced crystallization process of polymers. Acta Polymerica Sinica (in Chinese), doi: 10.11777/j.issn1000-3304.2026.26082.
温建龙, 张桁宾, 聂仪晶. 缠结网络拓扑约束对聚合物应变诱导结晶过程的影响. 高分子学报, doi: 10.11777/j.issn1000-3304.2026.26082. DOI： CSTR： 32057.14.GFZXB.2026.7613.

Wen, J. L.; Zhang, H. B.; Nie, Y. J. Effect of entangled network topology constraints on the strain-induced crystallization process of polymers. Acta Polymerica Sinica (in Chinese), doi: 10.11777/j.issn1000-3304.2026.26082. DOI： CSTR： 32057.14.GFZXB.2026.7613.

摘要

聚合物结晶行为对材料性能具有重要影响，而分子链间的缠结网络作为非晶态结构的重要组成部分，在结晶过程中发挥着关键作用. 为探究在拉伸条件下缠结网络对聚合物结晶行为的影响，采用粗粒化分子动力学模拟方法，基于Kremer-Grest珠簧模型构建了不同缠结程度的聚合物体系，并在恒温条件下沿

轴方向进行单轴拉伸，系统分析了缠结密度对链段取向、结晶起始应变及结晶度的影响. 研究发现，缠结密度较高的体系在拉伸过程中表现出更低的结晶起始应变，并在中等应变范围内具有更高的结晶度. 缠结点本身会抑制局部链段的取向，但在拉伸过程中，外部应力通过缠结点传递至相邻链段，诱导其产生更高程度的取向，进而促进结晶. 此外，缠结点在结晶过程中逐渐被“挤出”晶区，进一步证实了缠结在拉伸诱导结晶过程中的双重作用：一方面抑制局部取向，另一方面通过应力传递机制促进整体结晶行为. 本工作为理解聚合物在加工过程中结构演化提供了新的微观机制视角.

Abstract

The influence of entanglement networks on polymer crystallization during uniaxial stretching was investigated using coarse-grained molecular dynamics simulations. Polymer systems with different entanglement densities were constructed based on the Kremer-Grest bead-spring model. After equilibration at a high temperature

the systems were stretched along the

-axis under isothermal conditions to examine the evolution of the chain orientation

crystallinity

and entanglement distribution. The results showed that highly entangled systems exhibited a lower critical onset strain for crystallization and achieved higher crystallinity in the intermediate strain range. Although entanglements locally hin

der chain alignment

they acted as stress transfer points during stretching

promoting the orientation of adjacent segments and facilitating the crystallization. Entanglements were gradually expelled from the crystalline regions as crystallization proceeds. Local stress analysis confirmed that the beads near the entanglements experienced higher stress and degree of segment orientation

supporting the proposed stress transfer mechanism. This study reveals the dual role of entanglements in strain-induced polymer crystallization and provides insights into the structural evolution during processing.

关键词

Keywords

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