Fracture of model end-linked networks.
Fracture of model end-linked networks.
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DOI：
10.1073/pnas.2112389119
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发表时间：
2022-02-15
影响因子：
11.1
通讯作者：
Crosby AJ
中科院分区：
文献类型：
--
作者：
Barney CW;Ye Z;Sacligil I;McLeod KR;Zhang H;Tew GN;Riggleman RA;Crosby AJ
聚合物网络的断裂本质上是分子的，因为链必须断裂以使裂纹扩展。预测宏观测量的断裂性能从分子参数的先验仍然是难以捉摸的，即使是定义明确的网络。这项工作表明，一个新开发的理论，占网络缺陷，定量地描述了实验测量和分子动力学（MD）模拟数据与独立定义或测量参数的聚合物网络断裂。这一进展为聚合物网络的化学和材料科学与工程之间提供了一个缺失的环节。在过去的十年中，聚合物化学的进步使得能够合成具有均匀结构的分子精确的聚合物网络。这些精确的聚合物凝胶创造了建立真正的多尺度、分子到宏观的关系的机会，这些关系定义了它们的弹性和失效特性。在这项工作中，网络断裂，占环路缺陷的理论是通过借鉴网络弹性的最新进展。这一循环修改湖托马斯理论进行测试对分子动力学（MD）模拟和实验断裂测量模型凝胶，和良好的理论之间的协议，它不使用增强因子，和测量观察。洞察到本地和全球的贡献，在网络故障和它们之间的关系，以债券离解能耗散的能量也提供。这些研究结果使一个先验估计的断裂能在溶胀凝胶断链成为一个重要的故障机制。
Fracture of polymer networks is molecular in nature as chains must rupture for a crack to propagate. Predicting macroscopically measured fracture properties from molecular parameters a priori has remained elusive, even for well-defined networks. This work shows that a newly developed theory, which accounts for network defects, quantitatively describes both experimental measurements and molecular dynamics (MD) simulation data for fracture of a polymer network with independently defined or measured parameters. This advance provides a missing link between chemistry and materials science and engineering for polymer networks. Advances in polymer chemistry over the last decade have enabled the synthesis of molecularly precise polymer networks that exhibit homogeneous structure. These precise polymer gels create the opportunity to establish true multiscale, molecular to macroscopic, relationships that define their elastic and failure properties. In this work, a theory of network fracture that accounts for loop defects is developed by drawing on recent advances in network elasticity. This loop-modified Lake–Thomas theory is tested against both molecular dynamics (MD) simulations and experimental fracture measurements on model gels, and good agreement between theory, which does not use an enhancement factor, and measurement is observed. Insight into the local and global contributions to energy dissipated during network failure and their relation to the bond dissociation energy is also provided. These findings enable a priori estimates of fracture energy in swollen gels where chain scission becomes an important failure mechanism.
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影响因子：
8.6
作者：
de Cagny, Henri C. G.;Vos, Bart E.;Bonn, Daniel
通讯作者：
Bonn, Daniel
影响因子：
29.4
作者：
Fairbanks, Benjamin D;Schwartz, Michael P;Halevi, Alexandra E;Nuttelman, Charles R;Bowman, Christopher N;Anseth, Kristi S
通讯作者：
Anseth, Kristi S
影响因子：
2.8
作者：
FLORY, PJ
通讯作者：
FLORY, PJ
影响因子：
8.6
作者：
Lacks, DJ;Osborne, MJ
通讯作者：
Osborne, MJ
影响因子：
4.4
作者：
Flory, PJ;Rehner, J
通讯作者：
Rehner, J