标题： 网络演化控制动态键弹性体的应变诱导损伤和自愈 显示英文标题

标题： Network evolution controlling strain-induced damage and self-healing of elastomers with dynamic bonds

摘要： 高度可拉伸和自修复的超分子弹性体由于其动态交联键，是未来软电子、仿生系统和智能纺织品的有前途材料。交联键的动态或可逆性质使这些材料表现出有趣的宏观响应，如自修复和快速应力松弛。然而，键活性与宏观力学响应之间的关系以及这些动态聚合物网络（DPNs）的自修复性能仍不清楚。使用粗粒度分子动力学（CGMD）模拟，我们揭示了DPNs的宏观行为与聚合物网络中远距离节点之间的最短路径之间的基本联系。值得注意的是，材料在最短路径-应变图上的轨迹为理解DPNs的应力-应变滞后、各向异性、应力松弛和自修复提供了关键见解。基于不同加载历史下的CGMD模拟，我们制定了一套经验规则，说明最短路径如何与应力和应变相互作用。这为围绕最短路径的非局部微观结构特征发展一个以物理为基础的理论奠定了基础，以预测DPNs的力学行为。 显示英文摘要

摘要： Highly stretchable and self-healable supramolecular elastomers are promising materials for future soft electronics, biomimetic systems, and smart textiles, due to their dynamic cross-linking bonds. The dynamic or reversible nature of the cross-links gives rise to interesting macroscopic responses in these materials such as self-healing and rapid stress-relaxation. However, the relationship between bond activity and macroscopic mechanical response, and the self-healing properties of these dynamic polymer networks (DPNs) remains poorly understood. Using coarse-grained molecular dynamics (CGMD) simulations, we reveal a fundamental connection between the macroscopic behaviors of DPNs and the shortest paths between distant nodes in the polymer network. Notably, the trajectories of the material on the shortest path-strain map provide key insights into understanding the stress-strain hysteresis, anisotropy, stress relaxation, and self-healing of DPNs. Based on CGMD simulations under various loading histories, we formulate a set of empirical rules that dictate how the shortest path interacts with stress and strain. This lays the foundation for the development of a physics-based theory centered around the non-local microstructural feature of shortest paths to predict the mechanical behavior of DPNs.