Observed microscopic structure in the simulation of multilayers

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Abstract
A multilayer film was simulated by number, volume, and temperature ensembles. Systems of 224 and 672 molecules were scaled to methane and argon-graphite parameters. Studies were done at T=25 K for the coverages of 0.90 to 4.13(√3 × √3 ) monolayers. The layers within the film are incommensurate in the methane but commensurate for the argon case. For methane, the first two layers are mutually modulated by rotated misfit dislocations.