Dresden 2006 – wissenschaftliches Programm

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O: Oberflächenphysik

O 14: Poster session I (Adsorption, Epitaxy and growth, Phase transitions, Surface reactions, Organic films, Electronic structure, Methods) (sponsored by Omicron Nanotechnology GmbH)

O 14.1: Poster

Montag, 27. März 2006, 18:00–21:00, P2

A Kinetic Monte Carlo Simulation Toolkit for Modelling Processes at Surfaces — •Michael Hohage, Alexander Dorninger, Bernhard Lehner, and Peter Zeppenfeld — Institute of Experimental Physics, Johannes-Kepler-University Linz, A-4040 Linz

We developed a Kinetic Monte Carlo (KMC) Simulation Tool, capable of studying adsorption, growth, diffusion, desorption and reactions on solid surfaces. The comprehensively tested simulation kernel [1-3] has been successfully used in various recent studies [2-6]. It has been extended by a state-of-the art graphical user interface, which allows an intuitive definition of the simulation model: Several editors assist in generating surface models, specifying interaction models and reaction pathways, declaring the sequence of operations performed with the virtual sample and choosing the observables. Additional tools assist in data evaluation and visualization. We present this Windows32 compatible KMC simulation tool and show its application to selected growth and desorption phenomena.

[1] B. Lehner, M. Hohage and P. Zeppenfeld, Surf. Sci. 454-456 (2000) 251. [2] B. Lehner, M. Hohage and P. Zeppenfeld, Chem. Phys. Lett. 336 (2001) 123. [3] B. Lehner, Non-Ideal Desorption Phenomena in Experiment, Theory and Computersimulation, Universit/No-dq{a}tsverlag Rudolf Trauner, Linz, 2003. [4] B. Lehner, M. Hohage and P. Zeppenfeld, Phys. Rev. B 65 (2002) 165407. [5] B. Lehner, M. Hohage and P. Zeppenfeld, Chem. Phys. Lett. 369 (2003) 275. [6] B. Lehner, M. Hohage and P. Zeppenfeld, Chem. Phys. Lett. 379 (2003) 568.