On the energetics of the cubic-to-hexagonal transformations in TiAl plus Mo alloys

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216305%3A26210%2F22%3APU147605" target="_blank" >RIV/00216305:26210/22:PU147605 - isvavai.cz</a>
Alternative codes found
RIV/00216224:14310/22:00128036
Result on the web
<a href="https://reader.elsevier.com/reader/sd/pii/S1359645422006486?token=73D1AA3315F4D72D8AF4455F8AFD4095B4E8843750A41543C5F796147A4CE8981C9C9EE029D6288C4B0EBCC1DD6F6F1A&originRegion=eu-west-1&originCreation=20230213102746" target="_blank" >https://reader.elsevier.com/reader/sd/pii/S1359645422006486?token=73D1AA3315F4D72D8AF4455F8AFD4095B4E8843750A41543C5F796147A4CE8981C9C9EE029D6288C4B0EBCC1DD6F6F1A&originRegion=eu-west-1&originCreation=20230213102746</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.actamat.2022.118268" target="_blank" >10.1016/j.actamat.2022.118268</a>

Result language
angličtina
Original language name
On the energetics of the cubic-to-hexagonal transformations in TiAl plus Mo alloys
Original language description
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.%.(c) 2022 Published by Elsevier Ltd on behalf of Acta Materialia Inc.
Czech name
—
Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
20500 - Materials engineering

Project
<a href="/en/project/GA19-22016S" target="_blank" >GA19-22016S: Dual phase alloys with extraordinary performance arising from nanotwinning</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2022
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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