AI 中文总结
该研究通过分子动力学模拟揭示，弹性体纳米复合材料中纳米粒子网络的初始堵塞及随后的各向异性再堵塞导致负压失控积累，从而引发热力学空化与失效，并指出集体填料动力学是控制最终失效的关键。
AI 中文摘要
纳米粒子能够显著增强弹性体，但同时也矛盾地导致其在较低应变下发生空化。尽管经过数十年的研究，这种行为的微观起源仍未得到解决。在此，分子动力学模拟揭示，空化和失效源于纳米粒子增强机制本身。纳米粒子网络的初始堵塞导致弹性体基质中负压的积累，从而增强弹性体，同时将其推向空化极限。这一危机最初通过粒子网络的屈服得以避免。然而，纳米粒子的各向异性再堵塞事件最终驱动了失控的负压积累，导致空化与失效。这些结果确定了纳米粒子网络诱导的热力学空化是弹性体纳米复合材料中空洞形成的起源，并确立了集体填料动力学作为最终失效的潜在控制点。
英文摘要
Nanoparticles can dramatically reinforce elastomers while paradoxically causing cavitation at lower strains. Despite decades of research, the microscopic origin of this behavior has remained unsettled. Here, molecular dynamics simulations reveal that cavitation and failure arise from the nanoparticulate reinforcement mechanism itself. Initial jamming of the nanoparticulate network leads to a buildup of negative pressure in the elastomer matrix, reinforcing it and simultaneously driving it towards a cavitation limit. This crisis is initially averted by yield of the particle network. However, an anisotropic rejamming event of the nanoparticles ultimately drives a runaway negative pressure buildup that leads to cavitation and failure. These results identify nanoparticle-network-induced thermodynamic cavitation as the origin of void formation in elastomeric nanocomposites, and they establish collective filler dynamics as a potential point of control of ultimate failure.
