Abstract
Using the computer simulation techniques of classical and quantum statistical mechanics, we have studied the micro structures of rare-gas krypton and helium monolayer films physisorbed on graphite. While the adsorbate-adsorbate and adsorbate-substrate interactions are short-range and simple, the incommensurability of the unrelaxed rare-gas film and the graphite substrate gives rise to a relaxed modulated film structure exhibiting the symmetry of the substrate face with characteristic length scales spanning tens to thousands of angstroms. The distinct advantage of computer simulation is that these microstructures may be directly “seen” at the atomistic level.
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The details of convergence, exchange and energetics will be described in an expanded publication.
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Abraham, F.F. (1988). Microstructures of Rare-Gas Films Adsorbed on Graphite: Classical and Quantum Simulations. In: LeSar, R., Bishop, A., Heffner, R. (eds) Competing Interactions and Microstructures: Statics and Dynamics. Springer Proceedings in Physics, vol 27. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-73498-4_16
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DOI: https://doi.org/10.1007/978-3-642-73498-4_16
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