Molecular dynamics simulations of the nanoindentation process of titanium crystal

► MD simulations of nanoindentation of a Ti crystal consisting of 1,000,000 atoms. ► Three different shapes of the indenter (square, conical, spherical) are studied. ► Mechanical properties of the material (hardness and Young' modulus) are calculated. ► A view on atomistic effects occurring in Ti on the nanoscale during nanoindentation.