The demolding process in nanoimprint lithography is studied using molecular dynamics simulations. The difference in the mold separation behaviors between molecular dynamics and continuous mechanics simulations is shown, and the effect that the molecular size of the polymer resist has upon the demolding force is explained from the perspective of the molecular behavior. Depending upon the correlation between the type of resist molecule and the mold cavity size, the demolding force originates from the molecular flow, molecular stretching, or the friction between the resist and mold sidewall. When the molecular size is comparable to the cavity size, the resist is deformed by molecular stretching and the demolding force is at its largest.
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