A topological method defines local entanglements via Gaussian Linking Number, locates force centers, and distills CGMD polymer networks into efficient discrete network models reproducing virial stress predictions.
R., Carracedo R., Ram´ ırez J., Molecular dy- namics simulations of active entangled polymers reptat- ing through a passive mesh, Polymer 268 (2023) 125677
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Physically-Motivated Primitive Path Analysis of Entangled Polymer Networks
A topological method defines local entanglements via Gaussian Linking Number, locates force centers, and distills CGMD polymer networks into efficient discrete network models reproducing virial stress predictions.