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Molecular dynamics simulations of nanoindentation and nanotribology

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journal contribution
posted on 04.02.2013, 10:12 by Steven Kenny, Devianee Mulliah, Carlos F. Sanz-Navarro, Roger Smith
We present results of parallel molecular dynamics simulations of nanoindentation and nanotribology experiments. The models we have developed describe both the sample and the indenter atomistically and model the effect of the cantilevers in an atomic force microscope through the use of springs. We show that the simulations are in good qualitative agreement with experiment and help to elucidate many of the mechanisms that take place during these processes. In particular, we illustrate the role that dislocations play both in nanoindentation and also in stick–slip. Further to this we show how real-time visualization and computational steering have been employed in these simulations to capture the dynamical events that take place.

History

School

  • Science

Department

  • Mathematical Sciences

Citation

KENNY, S.D. ... et al., 2005. Molecular dynamics simulations of nanoindentation and nanotribology. Philosophical Transactions of the Royal Society A, 363 (1833), pp. 1949 - 1959.

Publisher

© The Royal Society

Version

AM (Accepted Manuscript)

Publication date

2005

Notes

This article was published in Philosophical Transactions of the Royal Society A [© The Royal Society] and the definitive version is available at: http://dx.doi.org/10.1098/rsta.2005.1621

ISSN

1364-503X

Language

en

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