Sökning: onr:"swepub:oai:DiVA.org:kth-5594" >
Structural stabilit...
Structural stability of intermetallic phases in the Zr-Sn system
-
- Baykov, Vitaly (författare)
- KTH,Materialvetenskap
-
- Jerlerud Perez, Rosa (författare)
- KTH,Materialvetenskap
-
- Korzhavyi, Pavel A., 1966- (författare)
- KTH,Materialvetenskap
-
visa fler...
-
- Sundman, Bo (författare)
- KTH,Termodynamisk modellering
-
- Johansson, Börje (författare)
- KTH,Tillämpad materialfysik
-
visa färre...
-
(creator_code:org_t)
- Elsevier BV, 2006
- 2006
- Engelska.
-
Ingår i: Scripta Materialia. - : Elsevier BV. - 1359-6462 .- 1872-8456. ; 55:5, s. 485-488
- Relaterad länk:
-
https://urn.kb.se/re...
-
visa fler...
-
https://doi.org/10.1...
-
visa färre...
Abstract
Ämnesord
Stäng
- A thermodynamic description of the intermetallic compounds in the Zr-Sn binary system has been obtained using total energy calculations by means of the Vienna ab initio simulation package. Our calculations show that hexagonal compounds Zr5Sn4 and Zr5Sn3 are the most stable phases in the Zr-Sn binary system. Their high stability is found to be due to hybridization of the Sn 5p with Zr 4d electronic states. Based on the calculated energies, the conclusion is made that Zr substitution on the Sri sites takes place in the Zr4Sn phase, which accounts for the unusual stoichiometry of this Cr3Si structure type compound.
Ämnesord
- TEKNIK OCH TEKNOLOGIER -- Materialteknik -- Metallurgi och metalliska material (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Materials Engineering -- Metallurgy and Metallic Materials (hsv//eng)
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
Nyckelord
- zirconium-tin alloys; intermetallic compounds; first-principle electron theory
- TECHNOLOGY
- TEKNIKVETENSKAP
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
Hitta via bibliotek
Till lärosätets databas