Understanding Material Deformation in Nanoimprint of Gold using Molecular Dynamics Simulations

Material deformation in nanoimprinting is explored through Molecular Dynamics (MD) simulations. Understanding the behavior of substrate material during the nanoimprinting process is imperative for high resolution nanoscale pattern transfer. Nanoimprinting of the gold has the potential to make significant impact in diverse areas such as microelectronics and biomedical research. The deformation of gold during nanoimprinting is studied for varying depths of mold from the density profile mechanics viewpoint. The effects of varying imprint depth at a constant imprint velocity and temperature on the deformation behavior are investigated. It is observed that for higher imprint depth the spring back effect is substantial. Localized variations to density of the gold substrate were observed during the mold loading phases. Higher imprint depths displayed an increase of density up to 1.55 times the normal density of gold. This research provides insight into the deformation mechanism of gold substrate based on density profile variations and spring back effect.