Effects of mold pattern characteristics on nanoimprinted aluminum investigated using quasi-continuum simulations

The effects of mold pattern characteristics on the mechanical deformation and mechanics of nanoimprinted aluminum are studied using quasi-continuum simulations in terms of atomic trajectories, strain distribution, and the imprinting stress-mold displacement curve. The simulation results show that a mold whose pattern has a larger period (S value) produces a larger imprinting stress on the substrate for deformation. The effect of mold taper angle on imprinting stress depends on the S value. The required imprinting stress for substrate deformation decreases when mold wear occurs, resulting in the appearance of more non-local atoms in the substrate because of a nonuniform stress distribution. The nucleation and propagation of dislocations in the substrate are significantly confined when the S value is very small (e.g., 150 angstrom).