Wrinkles, Ridges, Miura-Ori, and Moiré Patterns in MoSe(2) Using Neural Networks

[Image: see text] Effects of lateral compression on out-of-plane deformation of two-dimensional MoSe(2) layers are investigated. A MoSe(2) monolayer develops periodic wrinkles under uniaxial compression and Miura-Ori patterns under biaxial compression. When a flat MoSe(2) monolayer is placed on top of a wrinkled MoSe(2) layer, the van der Waals (vdW) interaction transforms wrinkles into ridges and generates mixed 2H and 1T phases and chain-like defects. Under a biaxial strain, the vdW interaction induces regions of Miura-Ori patterns in bilayers. Strained systems analyzed using a convolutional neural network show that the compressed system consists of semiconducting 2H and metallic 1T phases. The energetics, mechanical response, defect structure, and dynamics are analyzed as bilayers undergo wrinkle–ridge transformations under uniaxial compression and moiré transformations under biaxial compression. Our results indicate that in-plane compression can induce self-assembly of out-of-plane metasurfaces with controllable semiconducting and metallic phases and moiré patterns with unique optoelectronic properties.