On Incipient Plasticity of InP Crystal: A Molecular Dynamics Study

With classical molecular dynamics simulations, we demonstrated that doping of the InP crystal with Zn and S atoms reduces the pressure of the B3→B1 phase transformation as well as inhibits the development of a dislocation structure. On this basis, we propose a method for determining the phenomenon that initiates nanoscale plasticity in semiconductors. When applied to the outcomes of nanoindentation experiments, it predicts the dislocation origin of the elastic-plastic transition in InP crystal and the phase transformation origin of GaAs incipient plasticity.

Pop-In Phenomenon as a Fundamental Plasticity Probed by Nanoindentation Technique

The attractive strain burst phenomenon, so-called “pop-in”, during indentation-induced deformation at a very small scale is discussed as a fundamental deformation behavior in various materials. The nanoindentation technique can probe a mechanical response to a very low applied load, and the behavior can be mechanically and physically analyzed. The pop-in phenomenon can be understood as incipient plasticity under an indentation load, and dislocation nucleation at a small volume is a major mechanism for the event. Experimental and computational studies of the pop-in phenomenon are reviewed in terms of pioneering discovery, experimental clarification, physical modeling in the thermally activated process, crystal plasticity, effects of pre-existing lattice defects including dislocations, in-solution alloying elements, and grain boundaries, as well as atomistic modeling in computational simulation. The related non-dislocation behaviors are also discussed in a shear transformation zone in bulk metallic glass materials and phase transformation in semiconductors and metals. A future perspective from both engineering and scientific views is finally provided for further interpretation of the mechanical behaviors of materials.