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Title:

Asymptotically consistent and computationally efficient modeling of short-ranged molecular interactions between curved slender fibers undergoing large 3D deformations

Document type:
Zeitschriftenaufsatz
Author(s):
Maximilian J. Grill, Wolfgang A. Wall, Christoph Meier
Abstract:
This article proposes a novel computational modeling approach for short-ranged molecular interactions between curved slender fibers undergoing large 3D deformations, and gives a detailed overview how it fits into the framework of existing fiber or beam interaction models, either considering microscale molecular or macroscale contact effects. The direct evaluation of a molecular interaction potential between two general bodies in 3D space would require to integrate molecule densities over two 3D...     »
Keywords:
interaction of slender fibers, intermolecular forces, geometrically exact beam theory, finite element method, van der Waals interaction, Lennard-Jones potential
Journal title:
International Journal for Numerical Methods in Engineering
Year:
2023
Language:
en
Fulltext / DOI:
doi:10.48550/arXiv.2208.03149
Status:
Preprint / submitted
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