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

Abstract

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.