Shear-induced structural transformation and plasticity in ultraincompressible ReB2 limit its hardness
Name
Zhang-2010-Shear-induced struct.pdf
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1.02 MB
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Checksum (MD5)
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Author(s)
Zhang, R. F.
Legut, D.
Niewa, R.
Argon, Ali Suphi
Veprek, S.
Date Issued
September 2010
Journal
Physical Review B
Publisher
American Physical Society
Citation
Zhang, R. F. et al. "Shear-induced structural transformation and plasticity in ultraincompressible ReB2 limit its hardness." Physical Review B 82.10 (2010): 104104. © 2010 The American Physical Society
Version
Final published version
Abstract
The recent search for superhard materials concentrated on diborides of the 5d transition metals because of their high elastic moduli. Using density-functional theory we report a systematic study of the shear-induced irreversible structural transformations and plasticity in ReB(subscript 2) which limits its strength and hardness. The plasticity is due to breaking and rearrangement of bonds accompanied by crystal-field splitting of 5d orbitals from the stabilized to destabilized states during the finite shear that takes place at the atomic level in plastic deformation. Such effects are expected to occur also in diborides of other 5d transition metals.
MIT Department
Massachusetts Institute of Technology. Department of Mechanical Engineering
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Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use.
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DOI of Published Version
https://doi.org/10.1103/PhysRevB.82.104104
