Numerical Modelling of Adsorption of Metallic Particles on Graphite Substrate Via Molecular Dynamics Simulation

• Authors: H. Rafii-Tabar
• Languages of publication: EN

Abstracts

EN

A computer-based numerical modelling of the adsorption process of gas phase metallic particles on the surface of a graphite substrate has been performed via the application of molecular dynamics simulation method. The simulation relates to an extensive STM-based experiment performed in this field, and reproduces part of the experimental results. Both two-body and many-body inter-atomic potentials have been employed. A Morse-type potential describing the metal-carbon interactions at the interface was specifically formulated for this modelling. Intercalation of silver in graphite has been observed as well as the correct alignments of monomers, dimers and two-dimensional islands on the surface.

Keywords

EN

02.60.Cb; 07.05.Tp; 68.55.-a; 81.05.Tp

Discipline

• 02.60.Cb: Numerical simulation; solution of equations
• 68.55.-a: Thin film structure and morphology(for methods of thin film deposition, film growth and epitaxy, see 81.15.-z)
• 07.05.Tp: Computer modeling and simulation

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 1998
• Volume: 93
• Issue: 2
• Pages: 343-354

Dates

published

1998-02

Contributors

author

H. Rafii-Tabar

• Nano-Science Simulation Group, Centre for Numerical Modelling and Process Analysis, School of Computing and Mathematical Sciences, University of Greenwich, Woolwich Campus, Wellington Street, London SE18 6PF, UK

Identifiers

DOI

10.12693/APhysPolA.93.343