首页|Exploring the Interplay between Local Chain Structure and Stress Distribution in Polymer Networks
Exploring the Interplay between Local Chain Structure and Stress Distribution in Polymer Networks
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The mechanical behavior of polymer networks is intrinsically correlated with the local chain topology and chain connectivity.In this study,we delve into this relationship through the lens of coarse-grained molecular dynamics(CG-MD)simulations.Our aim is to illuminate the in-tricate interplay between local topology and stress distribution within polymer monomers,cross-linkers,and various components with distinct cross-link connections,thereby elucidating their collective impact on the mechanical properties of polymer networks.We mainly focus on how specific local structures contribute to the overall mechanical response of the network.In particular,we employ local stress analysis to unravel the mechanics of these structures.Our findings reveal the diverse responses of individual components,such as junctions,strands,cross-linkers be-tween junctions,and dangling chain ends,when subjected to stretching.Notably,we observe that these components exhibit varying degrees of deformation tolerance,underscoring the significance of their roles in determining the mechanical characteristics of the network.Our investiga-tions highlight junctions as primary contributors to stress accumulation,and particles with higher local stress showing a stronger correlation be-tween stress and Voronoi volume.Moreover,our results indicate that both strands and cross-linkers between junctions exhibit heightened stress levels as strand lengths decrease.This study enhances our understanding of the multifaceted factors governing the mechanical attributes of cross-linked polymer systems at the microstructural level.
Local chain structureLocal stressMolecular dynamics simulation
Jin-Tong Xue、Yang Bai、Li Peng、Xian-Bo Huang、Zhao-Yan Sun
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School of Applied Chemistry and Engineering,University of Science and Technology of China,Hefei 230026,China
State Key Laboratory of Polymer Physics and Chemistry,Changchun Institute of Applied Chemistry,Chinese Academy of Sciences,Changchun 130022,China
National-certified Enterprise Technology Center,Kingfa Science and Technology Co.,Ltd,Guangzhou 510663,China
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