Abstract
In this paper, we present rigorous simulation tools: a lattice-based simple reactive sphere model, an off-lattice bead-spring Monte Carlo model, and a molecular dynamics model. These tools accurately describe the static and dynamic behaviors of perfluoropolyether films consistent with experimental findings (scanning microellipsometry and surface energy measurements). These are suitable for the description of the fundamental mechanisms of film dewetting and rupture due to instability arising from nanoscale temperature and pressure inhomogeneities.
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