Microscopical justification of Solid-State Wetting and Dewetting (2010.08787v1)

Abstract: The continuum model related to the Winterbottom problem, i.e., the problem of determining the equilibrium shape of crystalline drops resting on a substrate, is derived in dimension two by means of a rigorous discrete-to-continuum passage by $\Gamma$-convergence of atomistic models taking into consideration the atomic interactions of the drop particles both among themselves and with the fixed substrate atoms. As a byproduct of the analysis effective expressions for the drop surface anisotropy and the drop/substrate adhesion parameter appearing in the continuum model are characterized in terms of the atomistic potentials, which are chosen of Heitmann-Radin sticky-disc type. Furthermore, a threshold condition only depending on such potentials is determined distinguishing the wetting regime, where discrete minimizers are explicitly characterized as configurations contained in a layer with a one-atom thickness, i.e., the wetting layer, on the substrate, from the dewetting regime. In the latter regime, also in view of a proven conservation of mass in the limit as the number of atoms tends to infinity, proper scalings of the minimizers of the atomistic models converge (up to extracting a subsequence and performing translations on the substrate surface) to a bounded minimizer of the Winterbottom continuum model satisfying the volume constraint.