Molecular dynamics simulations of the nanoindentation process of titanium crystal

We present the results of the large-scale molecular dynamics simulations of nanoindentation of a titanium crystal. By considering three different types of the indenter, namely of square, conical and spherical shapes, we observe the dependence of deformations of the crystalline structure on the type of the indenter. Various load-displacement curves are observed for different intender types. For each case study we perform molecular dynamics simulation of a full indentation cycle, which includes the loading and unloading stages. On the basis of such simulations we evaluate elastic properties of the material, namely we calculate the hardness and Young’s modulus. We observe the dependence of the obtained values of hardness and Young’s modulus on the type of the indenter and discuss the origin of this dependence.