The buckling of single-layer MoS2 under uniaxial compression

Molecular dynamics simulations are performed to investigate the buckling of single-layer MoS2 under uniaxial compression. The strain rate is found to have an important effect on the critical buckling strain, where higher strain rate leads to larger critical strain. The critical strain is almost temperature-independent for [Formula: see text] K, and it increases with increasing temperature for [Formula: see text] K owing to the thermal vibration assisted healing mechanism on the buckling deformation. The length-dependence of the critical strain from our simulations is in good agreement with the prediction of the Euler buckling theory.