On the energetics of the cubic-to-hexagonal transformations in TiAl+Mo alloys
Publikationen: Beitrag in Fachzeitschrift › Artikel › Forschung › (peer-reviewed)
Autoren
Organisationseinheiten
Externe Organisationseinheiten
- Materials Center Leoben Forschungs GmbH
- Masaryk Universität
- Königliche Technische Hochschule, Stockholm
- Technische Universität Brünn
- Czech Academy of Sciences, Brno
Abstract
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 transformation 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 hcpbcc for both ordered and disordered states when Mo content exceeds at.%.
Details
Originalsprache | Englisch |
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Seiten (von - bis) | 118268 |
Seitenumfang | 9 |
Fachzeitschrift | Acta materialia |
Jahrgang | 240.2022 |
Ausgabenummer | November |
DOIs | |
Status | Elektronische Veröffentlichung vor Drucklegung. - 24 Aug. 2022 |