Core-structure and lattice resistance of twinning dislocations in fcc metals

TL;DR

This study investigates the core structures and lattice resistance of twinning dislocations in fcc metals using atomistic modeling, revealing the effects of stacking fault energies and the importance of surface corrections for accurate predictions.

Contribution

It provides a detailed atomistic analysis of twinning partial dislocations in fcc metals, comparing models and highlighting the significance of surface corrections in predicting lattice resistance.

Findings

Negative stable fault energy can overcome the Peierls barrier.

Surface correction significantly affects lattice resistance estimates.

Different stacking fault energies influence dislocation core structures.

Abstract

Metals with fcc structure may exhibit deformation twinning under specific conditions, which is an interesting but somewhat elusive aspect of their deformation behavior. It is well acknowledged that the phenomenon occurs through the activities of twinning partial dislocations. However, the lack of a comprehensive understanding of their fundamental properties obstructs the development of detailed multiscale models of crystal plasticity in the fcc metals. Here we explore the core-structures and lattice friction of twinning partials through atomistically informed numerical modeling. To this end, we choose four fcc crystals with widely differing stacking fault energies. Using the semi-discrete variational Peierls Nabarro model, we compute the core-widths and Peierls stresses of edge and screw twinning dislocations. Apart from the conventional layer-by-layer model of twin nucleation, the recently proposed alternate-shear model has also been examined. In the latter case, a negative stable fault energy has been observed, which is large enough to overcome the Peierls barrier. This study also highlights the significance of incorporating the surface correction, the absence of which leads to an overestimation of the intrinsic lattice resistance of the twinning dislocations.