Investigation of speed and temperature effects in mechanical nano-patterning of GaAs via molecular dynamics simulation

Speed and temperature are two key parameters governing GaAs mechanical nano-patterning process. For the first time, this study evaluates the effects of pressing speed and nanoimprinting temperature on the deformation behavior and mechanical properties of GaAs in the mechanical nano-patterning process. Simulation results reveal that high pressing speed and high nanoimprinting temperature facilitate the nano-pattern formation on GaAs. For the pressing speed effect, the maximum force, residual stress, and cubic diamond atomic friction decrease with the elevated pressing speed, while the surface pile-up is minimally influenced by the pressing speed during the nanoimprinting process. Moreover, the morphological accuracy of the nano-patterns is enhanced with increasing pressing speed. For the temperature effect, simulation results reveal that amorphization and plastic activity exhibit a positive correlation with increasing nanoimprinting temperature, whereas the maximum force and residual stress demonstrate a roughly inverse relationship with nanoimprinting temperature. Additionally, the elevated temperature also exerts a substantial influence on the dislocation density, morphological accuracy, and surface pile-up. This study contributes to a comprehensive understanding of the effects of these two key factors on the mechanical properties and deformation behavior of GaAs in mechanical nano-patterning.