Atomic simulation of thermal fluctuation (ripples) in constrained single-layer MoS 2 membranes

Molecular dynamics simulations based on reactive empirical bond order potentials are performed to investigate the attributes of the thermally agitated ripples in single-layer molybdenum disulfide (SLMoS2) membranes, including the vibrational mode and the height fluctuation. The effects of aspect ratio, type and shape of boundary conditions, and chirality, on the attributes of the ripples are mainly concerned. The aspect ratio has a major...