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WFRF:(Dehghani Mohammad)
 

Sökning: WFRF:(Dehghani Mohammad) > Structural stabilit...

LIBRIS Formathandbok  (Information om MARC21)
FältnamnIndikatorerMetadata
00003830naa a2200493 4500
001oai:DiVA.org:kth-305323
003SwePub
008211201s2021 | |||||||||||000 ||eng|
0247 a https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-3053232 URI
0247 a https://doi.org/10.1016/j.actamat.2021.1174272 DOI
040 a (SwePub)kth
041 a engb eng
042 9 SwePub
072 7a ref2 swepub-contenttype
072 7a art2 swepub-publicationtype
1001 a Abdoshahi, Nedau Univ Leoben, Dept Mat Sci, Franz Josef Str 18, A-8700 Leoben, Austria.4 aut
2451 0a Structural stability and mechanical properties of TiAl plus Mo alloys :b A comprehensive ab initio study
264 1b Elsevier BV,c 2021
338 a print2 rdacarrier
500 a QC 20211201
520 a Titanium aluminides are technologically important intermetallic alloys with also many curious properties interesting from a basic research point of view. When alloyed with Mo, several (meta)stable phases have been reported; their properties are, however, largely unknown due to the alloy processing (e.g. fast cooling) and/or non-existence as a single-phase material. Here we employ first principles calculations to study compositional trends in structural and mechanical properties. We could show that Mo increases the density of all studied phases, leads to their chemical destabilization with the exception of the ordered bcc /3o phase, increases their ductility, and enhances the elastic anisotropy. Discrepancies between two employed ab initio methods (special quasi-random structures vs. coherent potential approximation) in the case of the /3o and B19 phases are rationalized with significant local distortions which may eventually facilitate a spontaneous phase transformation. Predictions of ordering temperatures solely based on the configurational entropy do not yield values in the experimentally expected ranges.
650 7a TEKNIK OCH TEKNOLOGIERx Materialteknikx Metallurgi och metalliska material0 (SwePub)205062 hsv//swe
650 7a ENGINEERING AND TECHNOLOGYx Materials Engineeringx Metallurgy and Metallic Materials0 (SwePub)205062 hsv//eng
653 a First principles
653 a Density functional theory
653 a Structural properties
653 a Elastic properties
653 a Mechanical properties
653 a TiAl
653 a TiAlMo alloys
7001 a Dehghani, Mohammadu Mat Ctr Leoben Forsch GmbH, Roseggerstr 12, A-8700 Leoben, Austria.4 aut
7001 a Hatzenbichler, Lukasu Univ Leoben, Dept Mat Sci, Franz Josef Str 18, A-8700 Leoben, Austria.4 aut
7001 a Spoerk-Erdely, Petrau Univ Leoben, Dept Mat Sci, Franz Josef Str 18, A-8700 Leoben, Austria.4 aut
7001 a Ruban, Andrei V.u KTH,Materialvetenskap,Mat Ctr Leoben Forsch GmbH, Roseggerstr 12, A-8700 Leoben, Austria4 aut0 (Swepub:kth)u1uo08he
7001 a Musi, Michaelu Univ Leoben, Dept Mat Sci, Franz Josef Str 18, A-8700 Leoben, Austria.4 aut
7001 a Mayer, Sveau Univ Leoben, Dept Mat Sci, Franz Josef Str 18, A-8700 Leoben, Austria.4 aut
7001 a Spitaler, Juergenu Mat Ctr Leoben Forsch GmbH, Roseggerstr 12, A-8700 Leoben, Austria.4 aut
7001 a Holec, Davidu Univ Leoben, Dept Mat Sci, Franz Josef Str 18, A-8700 Leoben, Austria.4 aut
7102 a Univ Leoben, Dept Mat Sci, Franz Josef Str 18, A-8700 Leoben, Austria.b Mat Ctr Leoben Forsch GmbH, Roseggerstr 12, A-8700 Leoben, Austria.4 org
7730 t Acta Materialiad : Elsevier BVg 221, s. 117427-q 221<117427-x 1359-6454x 1873-2453
8564 u https://doi.org/10.1016/j.actamat.2021.117427y Fulltext
8564 u https://doi.org/10.1016/j.actamat.2021.117427
8564 8u https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-305323
8564 8u https://doi.org/10.1016/j.actamat.2021.117427

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