Nanoindentation of -TiAl with Different Crystal Surfaces by Molecular Dynamics Simulations

The periodicity and density of atomic arrangement vary with the crystal orientation, which results in different deformation mechanisms and mechanical properties of -TiAl. In this paper, the anisotropic characteristics for -TiAl with (100), (110) and (111) surfaces during nanoindentation at 300 K have been investigated by molecular dynamics simulations. It is found that there is no obvious pop-in event in all load-depth curves when the initial plastic deformation of -TiAl samples occurs, because the dislocation nucleates before the first load-drop; while a peak appears in both the unloading curves of the (110) and (111) samples due to the release of energy. Stacking faults, twin boundaries and vacancies are formed in all samples; however, interstitials are formed in the (100) sample, a stacking fault tetrahedron is formed in the (111) sample; and two prismatic dislocation loops with different activities are formed in the (110) and (111) samples, respectively. It is also concluded that the values of the critical load, strain energy, hardness and elastic modulus for the (111) sample are the maximum, and for the (100) sample are the minimum. Furthermore, the orientation dependence of the elastic modulus is greater than the hardness and critical load.