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Molecular Dynamics Study of Pb Overlayer on Cu(100)
Published online by Cambridge University Press: 25 February 2011
Abstract
Isothermal-isobaric Molecular Dynamics (MD) simulation of a submonolayer Pb film in c(2×2) ordered structure adsorbed on a Cu(100) substrate showed retention of order to high T. The Embedded Atom Method (EAM) calculated the energy of atoms of overlayer and substrate. The time-averaged squared modulus of the two dimensional structure factor for the Pb overlayer measured the order of the overlayer. The results are for increasing T only, and require verification by simulated cooling.
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- Copyright © Materials Research Society 1991
References
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