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 play an important role on the critical buckling strain, where higher strain rate leads to larger critical strain. The critical strain is almost temperature-independent for T<50 K, and it increases with increasing temperature for T>50 K owning 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.