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., Van Swol F., Henderson J., Simulation of surfactant solutions: Molecular Physics: Vol 82 , No 5 - Get Access, Molecular Physics 82 (1994) 1009–1031
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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.