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On the energetics o...
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Abdoshahi, NedaUniv Leoben, Dept Mat Sci, Franz Josef Str 18, A-8700 Leoben, Austria.
(författare)
On the energetics of the cubic-to-hexagonal transformations in TiAl plus Mo alloys
- Artikel/kapitelEngelska2022
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Elsevier BV,2022
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LIBRIS-ID:oai:DiVA.org:kth-320672
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https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-320672URI
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https://doi.org/10.1016/j.actamat.2022.118268DOI
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Språk:engelska
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Sammanfattning på:engelska
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Ämneskategori:ref swepub-contenttype
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Ämneskategori:art swepub-publicationtype
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QC 20221102
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Diffusionless transformations allow access to metastable phases and enrich the materials design portfolio. They are well suited for atomistic modeling; nonetheless, they are challenging when involving disordered systems or alloys with complex compositions. This work presents a comprehensive study of transforma-tion energetics between bcc and hcp ordered and disordered phases in the TiAl+Mo model alloy system. By employing two complementary techniques I. VASP-SQS, and II. EMTO-CPA, we can show that chemical disorder flattens the energy landscape but may introduce a small barrier. Unlike that, the energetics of ordered phases are barrier-less and hence would suggest a spontaneous transformation. Finally, we show that Mo stabilizes the bcc phases, leading to a barrier-less transformation hcp -+ bcc for both ordered and disordered states when Mo content exceeds ti 12 at.%.
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Biuppslag (personer, institutioner, konferenser, titlar ...)
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Dehghani, MohammadMat Ctr Leoben Forsch GmbH, Roseggerstr 12, A-8700 Leoben, Austria.
(författare)
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Ruban, Andrei V.KTH,Strukturer,Mat Ctr Leoben Forsch GmbH, Roseggerstr 12, A-8700 Leoben, Austria.(Swepub:kth)u1uo08he
(författare)
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Friak, MartinCzech Acad Sci, Inst Phys Mat, Zizkova 22, CZ-61662 Brno, Czech Republic.;Brno Univ Technol, Fac Mech Engn, Inst Mat Sci & Engn, Tech 2896-2, CZ-61669 Brno, Czech Republic.
(författare)
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Sob, MojmirCzech Acad Sci, Inst Phys Mat, Zizkova 22, CZ-61662 Brno, Czech Republic.;Masaryk Univ, Fac Sci, Dept Chem, Kotlarska 2, CZ-61137 Brno, Czech Republic.
(författare)
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Spitaler, JuergenMat Ctr Leoben Forsch GmbH, Roseggerstr 12, A-8700 Leoben, Austria.
(författare)
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Holec, DavidUniv Leoben, Dept Mat Sci, Franz Josef Str 18, A-8700 Leoben, Austria.
(författare)
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Univ Leoben, Dept Mat Sci, Franz Josef Str 18, A-8700 Leoben, Austria.Mat Ctr Leoben Forsch GmbH, Roseggerstr 12, A-8700 Leoben, Austria.
(creator_code:org_t)
Sammanhörande titlar
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Ingår i:Acta Materialia: Elsevier BV2401359-64541873-2453
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