A Molecular Dynamics Study of Fe Adatom Diffusion on Different Sized Fe Nanoparticles

Abstract:

The diffusion behaviors of Fe adatom on Fe nanoparticles with three different sizes have been explored by molecular dynamics (MD) simulation. The activation energies and pre-exponential factors are extracted from the Arrhenius relation. The MD simulation shows that the hopping, exchange and direct/indirect crossing mechanisms contribute to the diffusion of Fe adatom on Fe nanoparticles and the diffusion behaviors do not show a significant nanosize effect.

• Periodical: Advanced Materials Research (Volume 1028)
• Pages: 30-33
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.1028.30
• Online since: September 2014
• Authors: Chen Dong*
• Keywords: Activation Energy, Molecular Dynamic (MD), Nanoparticle, Pre-Exponential Factor

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