Theoretical studies of surface diffusion: Self-diffusion in the fcc (111) system
- 1 July 1982
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 77 (1) , 479-483
- https://doi.org/10.1063/1.443630
Abstract
Surface self‐diffusion constants for the fcc (111) Lennard–Jones system were calculated using classical molecular dynamics methods over the reduced temperature range 0.11<k B T<0.22. In this range the diffusion constant exhibited Arrhenius behavior with pre‐exponential factor and activation energy given by D 0(m/εσ2)0.5 = 0.359 and E a /ε = 0.398, respectively. These results are compared with available experimental data for rhodium.Keywords
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