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Softening non-metallic crystals by inhomogeneous elasticity

Published version
Peer-reviewed

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Authors

Howie, PR 
Thompson, RP 
Korte-Kerzel, S 
Clegg, WJ 

Abstract

High temperature structural materials must be resistant to cracking and oxidation. However, most oxidation resistant materials are brittle and a significant reduction in their yield stress is required if they are to be resistant to cracking. It is shown, using density functional theory, that if a crystal's unit cell elastically deforms in an inhomogeneous manner, the yield stress is greatly reduced, consistent with observations in layered compounds, such as Ti₃SiC₂, Nb₂Co₇, W₂B₅, Ta₂C and Ta₄C₃. The mechanism by which elastic inhomogeneity reduces the yield stress is explained and the effect demonstrated in a complex metallic alloy, even though the electronegativity differences within the unit cell are less than in the layered compounds. Substantial changes appear possible, suggesting this is a first step in developing a simple way of controlling plastic flow in non-metallic crystals, enabling materials with a greater oxidation resistance and hence a higher temperature capability to be used.

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Keywords

ceramics, materials science, structural materials

Journal Title

Scientific Reports

Conference Name

Journal ISSN

Volume Title

7

Publisher

Nature Publishing Group
Sponsorship
Engineering and Physical Sciences Research Council (EP/M005607/1)
The work was supported by the EPSRC/Rolls-Royce Strategic Partnership (EP/M005607/1).