Review of molecular dynamics simulations in laser-based micro/nano-fabrication.

Laser technology is integral to the advancement of micro/nano-fabrication. While laser machining offers numerous advantages over alternative micro/nano-fabrication techniques, several challenges and bottlenecks continue to impede its large-scale industrial implementation. In response to these constraints, the molecular dynamics (MD) method has emerged as a formidable tool for optimizing the process parameters of laser micro/nano-fabrication and investigating alternative laser-based micro/nano-fabrication techniques. In this review, the application of MD in laser-based micro/nano-fabrication is comprehensively examined, including numerical simulations of short-pulse, long-pulse, continued laser and hybrid laser machining. The corresponding MD simulation schemes for lasers with different pulse widths are outlined. The mechanisms of laser-material interactions across diverse processing scenarios and the complete process of laser-based micro/nano-fabrication are also elucidated. Furthermore, the prevailing challenges in this domain and potential solutions are discussed, with future research directions being charted based on current knowledge and technological advancements.