Atomistic Origins of Temperature-Dependent Shear Strength in 2D Materials

We present a model that predicts the macroscale temperature-dependent interfacial shear strength of 2D materials like MoS 2 based on atomistic mechanisms and energetic barriers to sliding. Atomistic simulations were used to systematically determine the lamellar size-dependent rotation and translation energy barriers, that were used to accurately predict a broad range of experimental data. This framework provides insight about the origins of characteristic shear strengths of 2D materials.