Počet záznamů: 1
Shear-induced structural transformation and plasticity in ultraincompressible ReB2 limit its hardness
0349766 - UFM-A 2011 RIV US eng J - Článek v odborném periodiku
Zhang, R. F. - Legut, Dominik - Niewa, R. - Argon, A. S. - Veprek, S.
Shear-induced structural transformation and plasticity in ultraincompressible ReB2 limit its hardness.
Physical Review. B. Roč. 82, č. 10 (2010), 104104/1-104104/7 ISSN 1098-0121
Výzkumný záměr: CEZ:AV0Z20410507
Klíčová slova: ReB2 * ab initio * ultrahard * shear-induced transformation
Kód oboru RIV: BM - Fyzika pevných látek a magnetismus
Impakt faktor: 3.772, rok: 2010
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 ReB2 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.
Trvalý link: http://hdl.handle.net/11104/0189918