Bulletin of the American Physical Society
APS March Meeting 2024
Monday–Friday, March 4–8, 2024; Minneapolis & Virtual
Session N00: Poster Session II (11:30am-2:30pm CST)
11:30 AM,
Wednesday, March 6, 2024
Room: Hall BC
Sponsoring
Unit:
APS/SPS
Abstract: N00.00088 : Non-local Shortest Paths: Microstructural Evolution controls Macroscopic Response for Dynamic Polymer Networks*
Presenter:
Shaswat Mohanty
(Stanford University)
Authors:
Shaswat Mohanty
(Stanford University)
Yikai Yin
(Stanford University)
Christopher B Cooper
(Stanford University)
Zhenan Bao
(Stanford University)
Wei Cai
(Stanford University)
We developed a coarse-grained molecular dynamics (CGMD) model for DPNs and demonstrated that it successfully captures the stress-strain hysteresis and self-healing behaviors. By contrasting its behavior against irreversible cross-linked polymeric model, we show that these behaviors are the result of dynamic bond breaking and re-formation. Furthermore, 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.
*Samsung Electronics and the Air Force Office of Scientific Research under award number FA9550-20-1-0397.
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