Dislocation structure and dynamics govern pop-in modes of nanoindentation on single-crystal metals

Abstract

There are two types of pop-in mode that have been widely observed in nanoindentation experiments: the single pop-in, and the successive pop-in modes. Here we employ the molecular dynamics (MD) modelling to simulate nanoindentation for three face-centred cubic (FCC) metals, including Al, Cu and Ni, and two body-centred cubic (BCC) metals, such as Fe and Ta. We aim to examine the deformation mechanisms underlying these pop-in modes. Our simulation results indicate that the dislocation structures formed in single crystals during nanoindentation are mainly composed of half prismatic dislocation loops. These half prismatic dislocation loops in FCC metals are primarily constituted of extended dislocations. Lomer–Cottrell locks that result from the interactions between these extended dislocations can resist the slipping of half dislocation loops. These locks can build up the elastic energy that is needed to activate the nucleation of new half dislocation loops. A repetition of this sequence results in successive pop-in events in Al and other FCC metals. Conversely, the half prismatic dislocation loops that form in BCC metals after first pop-in are prone to slip into the bulk, which sustains plastic indentation process after first pop-in and prevents subsequent pop-ins. We thus conclude that pop-in modes are correlated with lattice structures during nanoindentation, regardless of their crystal orientations.