On the energetics of the cubic‐to‐hexagonal transformations in TiAl+Mo alloys
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68081723%3A_____%2F22%3A00561578" target="_blank" >RIV/68081723:_____/22:00561578 - isvavai.cz</a>
Result on the web
<a href="https://www.sciencedirect.com/science/article/pii/S1359645422006486?via%3Dihub" target="_blank" >https://www.sciencedirect.com/science/article/pii/S1359645422006486?via%3Dihub</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>
Alternative languages
Result language
angličtina
Original language name
On the energetics of the cubic‐to‐hexagonal transformations in TiAl+Mo alloys
Original language description
Diffusionless transformations allow access to metastable phases and enrich the materials design portfolio.nThey are well suited for atomistic modeling, nonetheless, they are challenging when involving disorderednsystems or alloys with complex compositions. This work presents a comprehensive study of transforma-ntion energetics between bcc and hcp ordered and disordered phases in the TiAl+Mo model alloy system.nBy employing two complementary techniques I. VASP-SQS, and II. EMTO-CPA, we can show that chemicalndisorder flattens the energy landscape but may introduce a small barrier. Unlike that, the energetics ofnordered phases are barrier-less and hence would suggest a spontaneous transformation. Finally, we shownthat Mo stabilizes the bcc phases, leading to a barrier-less transformation hcp→bcc for both ordered andndisordered states when Mo content exceeds 12at.%.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)
Result continuities
Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2022
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Acta Materialia
ISSN
1359-6454
e-ISSN
1873-2453
Volume of the periodical
240
Issue of the periodical within the volume
NOV
Country of publishing house
GB - UNITED KINGDOM
Number of pages
9
Pages from-to
118268
UT code for WoS article
000866455400004
EID of the result in the Scopus database
2-s2.0-85138453545