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

Zhang, Yi and Sun, Jining and Xiao, Qianhao and Han, Yunlong and Zhang, Wenbo and Luo, Xichun and Zhang, Lei (2024) Investigation of speed and temperature effects in mechanical nano-patterning of GaAs via molecular dynamics simulation. Materials Today Communications, 40. 109364. ISSN 2352-4928 (

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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.