Simulating the evolution of an atomic layer of neon or argon on a calcium (111) surface using atomistic based cellular automata rules


Robin W. Grimes, Peter. D. Lee and Matthew O. Zacate


Final report for EOARD contract F61708-96-W0300


Executive Summary

Part I

Motivation
Problem
Crystallography
Interatomic potential functions
Adsorption
Desorption
The flux
The CA rule set
Visualization

Part II

Results

Part III

Interpretation
Possible limitations
Future work
Concluding Remarks


Acknowledgements

This work has benefited greatly from discussions with Dr.'s Al Jackson and Steve LeClair of WPAFB Materials Directorate, initially made possible through EOARD contract F6170896WW029 and subsequently through the present contract.



IC
our address: Department of Materials, Imperial College, Prince Consort Rd, London SW7 2BP, UK
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