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.
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.