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Tailoring the plasticity of topologically close-packed phases via the crystals' fundamental building blocks

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arxiv 2303.05858 v1 pith:QCAC7RYJ submitted 2023-03-10 cond-mat.mtrl-sci

Tailoring the plasticity of topologically close-packed phases via the crystals' fundamental building blocks

classification cond-mat.mtrl-sci
keywords phasebuildinglavesplasticityblockclose-packedmodulusnb-co
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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Brittle topologically close-packed precipitates form in many advanced alloys. Due to their complex structures little is known about their plasticity. Here, we present a strategy to understand and tailor the deformability of these complex phases by considering the Nb-Co {\mu}-phase as an archetypal material. The plasticity of the Nb-Co {\mu}-phase is controlled by the Laves phase building block that forms parts of its unit cell. We find that between the bulk C15-NbCo$_2$ Laves and Nb-Co {\mu}-phase, the interplanar spacing and local elastic modulus of the Laves phase building block change, leading to a strong reduction in hardness and elastic modulus, as well as a transition from synchroshear to crystallographic slip. Furthermore, as the composition changes from Nb$_6$Co$_7$ to Nb$_7$Co$_6$, the Co atoms in the triple layer are substituted such that the triple layer of the Laves phase building block becomes a slab of pure Nb, resulting in inhomogeneous changes in elasticity and a transition from crystallographic slip to a glide-and-shuffle mechanism. These findings open opportunities to purposefully tailor the plasticity of these topologically close-packed phases in bulk, but at the atomic scale of interplanar spacing and local shear modulus of the fundamental crystal building blocks in their large unit cells.

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