Stress relaxation in 3-D semiflexible network with transient cross linkers: A finite-element kinetic Monte Carlo approach

Semiflexible biopolymer networks cross-linked by noncovalent bonds allow the network’s topology to evolve over time and in response to applied stress. The effects of transient cross linking include glassy power-law rheology at low frequencies¹, energy dissipation through bond rupture², mechanomemory effects³, and self-healing⁴. We developed a finite-element kinetic Monte Carlo simulation, which allows linkers to reorganize within a three-dimensional network, to explore these dynamics. We discuss this simulation strategy and present results for stress relaxation of sheared networks. We also discuss the statistical distribution of binding and rupture events to address whether stress relaxation occurs via isolated bond breaking events or correlated “ripping” events in which multiple linkers within regions of the networks fail in rapid succession. We conclude with proposals for new experiments to test these numerical results.
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[2] C. Vaca, et al., Soft matter 11 (24), 4899 (2015).
[3] S. Majumdar, et al., unpublished (2017).
[4] Y. Yang, et al, Soft matter 8 (3), 707 (2012).