Multiscale Network Modeling of Fibrin Fibers and Fibrin Clots with Protofibril Binding Mechanics

The multiscale mechanical behavior of individual fibrin fibers and fibrin clots wasmodeled by coupling atomistic simulation data and microscopic experimental data. We propose anew protofibril element composed of a nonlinear spring network, and constructed this based onmolecular simulations and atomic force microscopy results to simulate the force extension behaviorof fibrin fibers. This new network model also accounts for the complex interaction of protofibrilswith one another, the effects of the presence of a solvent, Coulombic attraction, and other bindingforces. The network model was formulated to simulate the force-extension mechanical behavior ofsingle fibrin fibers from atomic force microscopy experiments, and shows good agreement. Thevalidated fibrin fiber network model was then combined with a modified version of the Arruda-Boyce eight-chain model to estimate the force extension behavior of the fibrin clot at the continuumlevel, which shows very good correlation. The results show that our network model is able to predictthe behavior of fibrin fibers as well as fibrin clots at small strains, large strains, and close to the breakstrain. We used the network model to explain why the mechanical response of fibrin clots and fibrinfibers deviates from worm-like chain behavior, and instead behaves like a nonlinear spring.