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.
Robust structural identification via polyhedral template matching,
2 Pith papers cite this work. Polarity classification is still indexing.
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MD simulations of Pd yield nucleation rate maximum of 4e35 m^{-3}s^{-1} at 0.5 Tm, diffusion-limited growth, TTT nose at 100 ps, and reproduce experimental onset at 5e11 K/s cooling, indicating homogeneous nucleation.
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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.
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Crystallisation kinetics of supercooled liquid palladium
MD simulations of Pd yield nucleation rate maximum of 4e35 m^{-3}s^{-1} at 0.5 Tm, diffusion-limited growth, TTT nose at 100 ps, and reproduce experimental onset at 5e11 K/s cooling, indicating homogeneous nucleation.