Uniaxial Compression of Suspended Single and Multilayer graphenes

TL;DR

This study uses molecular dynamics simulations to analyze the buckling behavior of single and multilayer graphene sheets under uniaxial compression, comparing results with continuum elasticity theory.

Contribution

It provides new insights into the buckling mechanics of graphene, highlighting differences between single and multilayer structures and their deviation from classical elastic predictions.

Findings

Critical buckling stress scales inversely with the square of length for single-layer graphene.

Multilayer graphene buckling stress decreases with length but less rapidly than elastic theory predicts.

Qualitative agreement with continuum theory for single layers, with notable discrepancies for multilayers.

Abstract

The mechanical response of single and multiple graphene sheets under uniaxial compressive loads was studied with molecular dynamics simulations, using different semi-empirical force fields at different boundary conditions or constrains. Compressive stress-strain curves were obtained and the critical stress/strain values were derived. For single layer graphenes, the critical stress/strain for buckling was found to scale to the inverse length square. For multilayer graphenes the critical buckling stress also decreased with increasing length, though at a slower rate than expected from elastic buckling analysis. The molecular dynamics results are compared to the linear elasticity continuum theory for loaded slabs. Qualitatively similar behavior is observed between the theory and numerical simulations for single layer graphene, while discrepancies were noted for multilayers may be due to their discrete nature and stacking interactions.