Molecular Dynamics study of Pb overlayer on Cu(100)
Abstract
Isothermal-isobaric Molecular Dynamics (MD) simulation of a submonolayer Pb film in c(2x2) 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.
- Publication:
-
NASA STI/Recon Technical Report A
- Pub Date:
- 1991
- Bibcode:
- 1991STIA...9350359K
- Keywords:
-
- Copper Alloys;
- Epitaxy;
- Lead (Metal);
- Metal Films;
- Molecular Physics;
- Order-Disorder Transformations;
- Adsorption;
- Chemisorption;
- Single Crystals;
- Thermal Expansion;
- Thin Films;
- Solid-State Physics