Motion of fullerene nanomachines on thermally activated curved gold substrates

This paper presents a comprehensive computational investigation aimed at optimizing nanomanipulation techniques by leveraging fullerene-based nanocarriers on curved gold surfaces. Through rigorous potential energy analyses and molecular dynamics simulations, we scrutinize the nuanced effects of temperature variations and nanocarrier wheel sizes on their behavior. Our results reveal an interplay between temperature and nanocarrier performance, wherein smaller-wheeled nanocarriers exhibit heightened efficacy at elevated temperatures, facilitating extended-range motion. Conversely, larger nanocarriers encounter impediments attributed to their augmented mass, constraining their mobility. Further scrutiny into effective velocities and angular velocities elucidate deviations from anticipated movement paths, notably observed in nanocarriers employing C60 fullerene wheels, advocating for the exploration of novel design alternatives. Additionally, our findings underscore the efficacy of specific nanocarrier configurations, notably those equipped with C80, C36, and C50 wheels, showcasing their potential as optimal candidates under distinct operating conditions. By shedding light on the intricate dynamics governing nanocarrier behavior on curved surfaces, this study contributes valuable insights to the advancement of nanoscale material transportation and manipulation methodologies, thereby enriching the discourse within the realms of nanotechnology and nanorobotics.