Two-dimensional materials beyond graphene are attracting much attention. Recently discovered 2D carbides and nitrides (MXenes) have shown very attractive electrical and electrochemical properties, but their mechanical properties have not been characterized yet. There are neither experimental measurements reported in the literature nor predictions of strength or fracture modes for single-layer MXenes. The mechanical properties of two-dimensional titanium carbides were investigated in this study using classical molecular dynamics. Young's modulus was calculated from the linear part of strain-stress curves obtained under tensile deformation of the samples. Strain-rate effects were observed for all Tin+1Cn samples. From the radial distribution function, it is found that the structure of the simulated samples is preserved during the deformation process. Calculated values of the elastic constants are in good agreement with published DFT data.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.