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Condensed Matter > Materials Science
Title: Elementary mechanisms of shear-coupled grain boundary migration for different complexions of a copper tilt grain boundary
(Submitted on 17 May 2023)
Abstract: The migration of grain boundaries leads to grain growth in polycrystals and is one mechanism of grain-boundary-mediated plasticity, especially in metallic nanocrystals. This migration is due to the movement of dislocation-like defects, called disconnections, which couple to externally applied shear stresses. Here, we investigate a $\Sigma$19b symmetric tilt grain boundary without pre-existing defects using atomistic computer simulations with classical potentials. This specific grain boundary exhibits two different atomic structures with different microscopic degrees of freedom (complexions), called ``domino'' and ``pearl'' complexion. We show that the grain boundary migration is affected by both the formation energy of a disconnection dipole and the Peierls-like barrier required to move the disconnections. For the pearl complexion, the latter is much higher, leading to a high stress required for grain boundary migration at low temperatures. However, in absolute values, the Peierls barrier is low and can be overcome by thermal energy even at room temperature. Since the domino complexion has higher disconnection formation energies, it is more resistant to migration at room temperature and above.
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