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Modelling the sputtering of Au surfaces using a multi time-scale technique

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journal contribution
posted on 08.03.2013 by Chris Scott, Roger Smith
We present results from an atomistic computer simulation model of the sputtering of gold crystal surfaces under 500 eV ion bombardment by Au and Ar ions for doses up to 1014 ions cm−2. The multi time-scale technique uses molecular dynamics to calculate the fast ballistic collision processes in the early stages of the cascade, whereas an on-the fly kinetic Monte Carlo technique is used to model the relaxation and diffusion processes between successive ion impacts when the defect motion has begun to be dominated by rare events. The results indicate a large amount of crystalline recovery between impacts, some facetting of the crystal surfaces but no large sub-surface defect accumulation. Because of this recovery process, sputtering yields and energy distributions are in good agreement with those obtained assuming a perfect crystal surface and also with those experimentally measured.

History

School

  • Science

Department

  • Mathematical Sciences

Citation

SCOTT, C. and SMITH, R., 2013. Modelling the sputtering of Au surfaces using a multi time-scale technique. Proceedings of the Royal Society A - Mathematical, Physical and Engineering Sciences, 469, 2150, 20120480, 14pp. http://dx.doi.org/10.1098/rspa.2012.0480

Publisher

© The Author(s) Published by the Royal Society

Version

AM (Accepted Manuscript)

Publication date

2013

Notes

This article was published in the journal, Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences [© The Author(s). Published by the Royal Society] and the definitive version is available at: http://dx.doi.org/10.1098/rspa.2012.0480

ISSN

1364-5021

Language

en

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