Shu Wang, Chase M. Hartquist, Bolei Deng and Xuanhe Zhao*,
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A Loop-Opening Model for the Intrinsic Fracture Energy of Polymer Networks
We present a loop-opening model that accounts for the molecular details of the intrinsic fracture energy for fracturing polymer networks. This model includes not only the energy released from the scission of bridging chains but also the subsequent energy released from the network continuum. Scission of a bridging chain releases the cross-links and opens the corresponding topological loop. The released cross-links will be caught by the opened loop to reach a new force-balanced state. The amount of energy released from the network continuum is limited by the stretchability of the opened loop. Based on this loop-opening process, we suggest that the intrinsic fracture energy per broken chain approximately scales with the product of the fracture force and the contour length of the opened loop. This model predicts an intrinsic fracture energy that aligns well with various experimental data on the fracture of polymer networks.
期刊介绍:
Macromolecules publishes original, fundamental, and impactful research on all aspects of polymer science. Topics of interest include synthesis (e.g., controlled polymerizations, polymerization catalysis, post polymerization modification, new monomer structures and polymer architectures, and polymerization mechanisms/kinetics analysis); phase behavior, thermodynamics, dynamic, and ordering/disordering phenomena (e.g., self-assembly, gelation, crystallization, solution/melt/solid-state characteristics); structure and properties (e.g., mechanical and rheological properties, surface/interfacial characteristics, electronic and transport properties); new state of the art characterization (e.g., spectroscopy, scattering, microscopy, rheology), simulation (e.g., Monte Carlo, molecular dynamics, multi-scale/coarse-grained modeling), and theoretical methods. Renewable/sustainable polymers, polymer networks, responsive polymers, electro-, magneto- and opto-active macromolecules, inorganic polymers, charge-transporting polymers (ion-containing, semiconducting, and conducting), nanostructured polymers, and polymer composites are also of interest. Typical papers published in Macromolecules showcase important and innovative concepts, experimental methods/observations, and theoretical/computational approaches that demonstrate a fundamental advance in the understanding of polymers.