G. S. Smith, E. B. Tadmor and E. Kaxiras
Physical Review Letters, 84, 1260–1263 (2000).
Nanoindentation experiments are an excellent probe of micromechanical
properties, but their interpretation is complicated by their multiscale
nature. We report simulations of silicon nanoindentation, based on an
extended Version of the local quasicontinuum model, capable of handling
complex Bravais crystals. Our simulations reproduce the experimental load
vs displacement curves and provide microscopic information such as the
distribution of transformed metallic phases of silicon underneath the
indenter. This information is linked to the macroscopic electrical
resistance, giving a satisfactory explanation of experimental results.