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Molecular Dynamics Study of Pb Overlayer on Cu(100)

Published online by Cambridge University Press:  25 February 2011

M. Karimi ,
P. Tibbits ,
D. Ila ,
I. Dalins  and
G. Vidali
M. Karimi
Affiliation:
Center For Irradiation of Materials, Alabama A&M University, P.O.Box 741, Normal Station, Huntsville, AL 35762-0741
P. Tibbits
Affiliation:
Center for Naval Analyses, Alexandria, VA 22302-0268
D. Ila
Affiliation:
Center For Irradiation of Materials, Alabama A&M University, P.O.Box 741, Normal Station, Huntsville, AL 35762-0741
I. Dalins
Affiliation:
M&P Laboratory, Marshall Space Flight Center
G. Vidali
Affiliation:
Princeton University Chemistry Department, Princeton, NJ & Syracuse University Physics Department, Syracuse, N.Y. 13244–1130
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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.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 202: Symposium C – Evolution of Thin Film and Surface Microstructure , 1990 , 55
Copyright
Copyright © Materials Research Society 1991

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References

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