First-Principle Study on Tailoring the Martensitic Transformation of B2 Nb<sub>50−x</sub>Ti<sub>x</sub>Ru<sub>50</sub> Shape-Memory Alloy for Structural Applications
NbRu has a potential as a high-temperature shape-memory alloy (HTSMA) because it has a martensitic transformation temperature above 1000 °C. However, its shape-memory properties could be improved for consideration in the aerospace and automotive industry. The unsatisfactory shape-memory properties c...
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| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2024-08-01
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| Series: | Metals |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2075-4701/14/9/976 |
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| Summary: | NbRu has a potential as a high-temperature shape-memory alloy (HTSMA) because it has a martensitic transformation temperature above 1000 °C. However, its shape-memory properties could be improved for consideration in the aerospace and automotive industry. The unsatisfactory shape-memory properties could be associated with the presence of a brittle tetragonal L1<sub>0</sub> martensitic phase. Therefore, in an attempt to modify the transformation path from B2→L1<sub>0</sub> in preference of either B2→orthorhombic or B2→monoclinic (MCL), an addition of B2 phase stabiliser, titanium (Ti), has been considered in this study to partially substitute niobium (Nb) atoms. The ab initio calculations have been conducted to investigate the effect of Ti addition on the thermodynamic, elastic, and electronic properties of the Nb<sub>50−x</sub>Ti<sub>x</sub>Ru<sub>50</sub> in B2 and L1<sub>0</sub> phases. The results showed that the B2 and L1<sub>0</sub> phases had comparable stability with increasing Ti content. The simulated data presented here was sufficient for the selection of suitable compositions that would allow the L1<sub>0</sub> phase to be engineered out. The said composition was identified within 15–30 at.% Ti. These compositions have a potential to be considered when designing alloys for structural application at high temperatures above 200 °C. |
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| ISSN: | 2075-4701 |