In this article molecular dynamics (MD) simulations have been conducted to investigate the effect of the indenter shape on the nanoindentation behaviours of iron with body centred cubic structure. Two types of indenters (hemispherical indenter and pyramidal indenter) with dimensions of several nanometres have been modelled. The simulation results have shown that the indenter shape significantly influences the nanoindentation behaviours at such small scale. The indentation force increases with indentation depth during loading for the hemispheri-cal indenter, while the indentation force is low in values for the pyramidal indenter. To validate the MD model nanoindentation experiments have been carried out. The calculated indentation hardness of the hemispherical indenter is in reasonable agreement with the experimental value.
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