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Thermal super-jogs control high-temperature strength in Nb-Mo-Ta-W alloys (2205.07413v1)

Published 16 May 2022 in cond-mat.mtrl-sci and physics.comp-ph

Abstract: Refractory multi-element alloys (RMEA) with body-centered cubic (bcc) structure have been the object of much research over the last decade due to their high potential as candidate materials for high-temperature applications. Most of these alloys display a remarkable strength at high temperatures, which cannot be explained by the standard model of bcc plasticity dominated by thermally-activated screw dislocation motion. Recent research on Nb-Mo-Ta-W alloys points to a heightened role of edge dislocations on deformation, which is generally attributed to atomic-level chemical fluctuations in the material and their interactions with dislocation cores during slip. However, while this model accounts for a strengthening effect due to the chemical complexity of the alloy, it is not sufficient to explain its strength across the entire thermal range. Here we propose a new mechanism that captures the existing theories about enhanced lattice strengthening and a thermally-activated component that emanates directly from the chemical complexity of the RMEA. This compositional complexity results in unique vacancy formation energy distributions with tails that extend into negative energies, leading to spontaneous, i.e., athermal, vacancy formation at edge dislocation cores. These vacancies relax into atomic-sized super-jogs on the dislocation line, acting as extra pinning points that increase the activation stress of the dislocation. At the same time, these super-jogs can displace diffusively along the glide direction, relieving with their motion some of the extra stress, thus countering the hardening effect due to jog-pinning. The interplay between these two processes as a function of temperature confers an extra strength to edge dislocation at intermediate-to-high temperatures, in remarkable agreement with experimental measurements in Nb-Mo-Ta-W and across a number of different RMEA.

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