Molecular dynamics.pdf (3.5 MB)
Molecular dynamics simulations of nanoindentation and nanotribology
journal contributionposted on 2013-02-04, 10:12 authored by Steven KennySteven 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.
- Mathematical Sciences
CitationKENNY, 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
- AM (Accepted Manuscript)
NotesThis 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