Stuttgart 2012 – wissenschaftliches Programm

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P: Fachverband Plasmaphysik

P 15: Poster: Theorie/Modellierung

P 15.6: Poster

Mittwoch, 14. März 2012, 16:30–19:00, Poster.III

Simulation of atomic-cluster coalescence — •Kenji Fujioka, Lasse Rosenthal, Michael Bonitz, and Franz Faupel — Universität Kiel, Germany

Thin films are often built-up from the deposition of atoms onto a substrate. Often times, the deposited particles are not just single atoms, but clusters of up to several thousands of atoms [1]. Naturally, the formation of these atomic-clusters is a rudimentary process in the framework of nano-fabrication. In particular, the coalescence of two atomic-clusters into a single object is of fundamental importance. In the current study, we look at some dynamical processes involved in the coalescence of two atomic-clusters through molecular dynamics simulations [2]. As a basis for our models, we consider the pair-wise Lennard-Jones (LJ) potential that is often used to describe rare gases. We then extend the simple LJ model to the Baskes-LJ embedded-atom method which includes many-body effects [3]. This simple, two-parameter, embedded-atom method has been shown to reproduce many physical properties of metals with reasonable accuracy [4]. Careful attention is paid to the equilibration times of the various models in vacuum, with the intent of generating and justifying input parameters for kinetic Monte-Carlo simulations of cluster processes on a surface [5].

[1] P. Jensen, Rev. Mod. Phys. 71, 1695 (1999) [2] S. Hendy, S. A. Brown, and M. Hyslop, Phys. Rev. B 68, 241403 (2003) [3] M. I. Baskes, Phys. Rev. Lett. 83, 2592 (1999) [4] S. G. Srinivasan and M. I. Baskes, Proc. R. Soc. Lond. A 460, 1649 (2004) [5] L. Rosenthal et al., Contrib. Plasma Phys. 51, 971 (2011)