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Updated: Aug 15, 2026

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
Published on: May 27, 2020
Discrete modeling of the mechanics of entangled materials
David Rodney1, Marc Fivel, Rémy Dendievel
1Génie Physique et Mécanique des Matériaux (UMR CNRS 5010), Institut National Polytechnique de Grenoble, ENSPG, Saint Martin d'Hères BP, France.
Abstract:
We employ a discrete computational model to study the entanglement transition of non-cross-linked semiflexible fibers during isostatic compressions. We determine, as a function of the fiber aspect ratio, packing densities and caging numbers, i.e., the density and number of contacts per fiber at the entanglement transition. The caging number is found to be 8 for short fibers and to drop down to 4 for longer fibers. Compressions beyond the entanglement transition allow us to determine, for these networks that deform primarily by bending, the scaling exponents of the pressure and of the bulk modulus (=3), as well as of the number of contacts per fiber (=1).
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