The Buckling of Single-Layer MoS2 Under Uniaxial Compression

TL;DR

This study uses molecular dynamics simulations to explore how single-layer MoS2 buckles under uniaxial compression, revealing effects of strain rate, temperature, and length consistent with Euler buckling theory.

Contribution

It provides new insights into the temperature and strain rate dependence of buckling in single-layer MoS2 through detailed molecular dynamics simulations.

Findings

Higher strain rate increases critical buckling strain.

Critical strain is temperature-independent below 50 K.

Critical strain increases with temperature above 50 K.

Abstract

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.