Sökning: onr:"swepub:oai:DiVA.org:liu-102967" >
Effect of Re conten...
Effect of Re content on elastic properties of B2 NiAl from ab initio calculations
-
- Ponomareva, A V (författare)
- National University of Science and Technology MISIS, Russia
-
- Kh Vekilov, Yu (författare)
- National University of Science and Technology MISIS, Russia
-
- Abrikosov, Igor (författare)
- Linköpings universitet,Teoretisk Fysik,Tekniska högskolan
-
(creator_code:org_t)
- Elsevier, 2014
- 2014
- Engelska.
-
Ingår i: Journal of Alloys and Compounds. - : Elsevier. - 0925-8388 .- 1873-4669. ; 586, s. S274-S278
- Relaterad länk:
-
https://liu.diva-por... (primary) (Raw object)
-
visa fler...
-
http://liu.diva-port...
-
https://urn.kb.se/re...
-
https://doi.org/10.1...
-
visa färre...
Abstract
Ämnesord
Stäng
- The effect of substitutional alloying of Re on elastic properties of B2 NiAl has been studied using first-principles electronic-structure calculations by the exact muffin-tin orbitals method and the coherent potential approximation. Our calculations have shown that elastic constants C-12, C-44 and bulk modulus B of (Ni1-xRex) Al alloys increase with Re composition almost linearly, but concentration dependence of elastic constants C-11, Young modulus E, shear modulus G, G/B ratio and the Cauchy pressure P-C is strongly nonmonotonously and has peculiarities near the concentration x = 30 at.% Re. Analyzing the density of states and Fermi surface sections we have a direct connection between the behavior of the elastic constants of (Ni1-xRex) Al alloys and changes in the interatomic bonding and Fermi surface topology.
Nyckelord
- Elastic constants
- NiAl
- Alloying
- TECHNOLOGY
- TEKNIKVETENSKAP
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
Hitta via bibliotek
Till lärosätets databas