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

TL;DR

This paper introduces a peridynamic model for single-layer graphene calibrated with molecular dynamics, enabling multiscale analysis and reducing computational costs while accurately predicting experimental deflection and perforation behaviors.

Contribution

A novel ordinary state-based peridynamic model for graphene calibrated via coarse grained molecular dynamics, offering multiscale capabilities and computational efficiency.

Findings

Model accurately predicts deflection and perforation of graphene.

Enables multiscale analysis with reduced computational cost.

Calibrated bond force dependence on bond length and horizon.

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.