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DOE OSTI · 1819404

Peridynamic Model for Single-Layer Graphene Obtained from Coarse Grained Bond Forces

Silling, Stewart A.·D'Elia, Marta·Yu, Yue·You, Huaiqian·Fermen-Coker, Müge
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Abstract

An ordinary state-based peridynamic material model is proposed for single sheet graphene. The model is calibrated using coarse grained molecular dynamics simulations. The coarse graining method allows the dependence of bond force on bond length to be determined, including the horizon. The peridynamic model allows the horizon to be rescaled, providing a multiscale capability and allowing for substantial reductions in computational cost compared with molecular dynamics. The calibrated peridynamic model is compared to experimental data on the deflection and perforation of a graphene monolayer by an atomic force microscope probe.

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36 MATERIALS SCIENCE

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Silling, Stewart A., D'Elia, Marta, Yu, Yue, You, Huaiqian, Fermen-Coker, Müge. 2021-09-02. Peridynamic Model for Single-Layer Graphene Obtained from Coarse Grained Bond Forces. https://doi.org/10.2172/1819404

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36 MATERIALS SCIENCE↗