Molecular dynamics simulation of nanoindentation of nickel-titanium crystal

We present the results of molecular dynamics simulations of nanoindentation of a bimetallic nickel-titanium crystal in the austenitic (cubic) B2 phase. By considering three different types of indenters, 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 indenter types. We perform the molecular dynamics simulations of a full indentation cycle, which includes the loading and unloading stages. On the basis of such simulations we evaluate mechanical properties of the material, namely we calculate hardness and reduced Young's modulus. We observe variation of the calculated parameters depending on the indenter type and discuss the origin of occurring discrepancies.