Effect of Pd substitution on elastic and lattice dynamic properties of B2 Ti50Ru50 – ab initio study
Owing to Nitinol's success, shape memory alloys (SMAs) enjoy unwavering attention as key futuristic intelligent structural materials. Despite the excellent shape memory effect (SME) and pseudo-elasticity, Nitinol is susceptible to high-temperature applications. Extensive research has been condu...
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| Language: | English |
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EDP Sciences
2024-01-01
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| Series: | MATEC Web of Conferences |
| Online Access: | https://www.matec-conferences.org/articles/matecconf/pdf/2024/18/matecconf_rapdasa2024_06002.pdf |
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| author | Ngobe Bongani Molepo Mahlaga Mkhonto Donald Phasha Maje |
| author_facet | Ngobe Bongani Molepo Mahlaga Mkhonto Donald Phasha Maje |
| author_sort | Ngobe Bongani |
| collection | DOAJ |
| description | Owing to Nitinol's success, shape memory alloys (SMAs) enjoy unwavering attention as key futuristic intelligent structural materials. Despite the excellent shape memory effect (SME) and pseudo-elasticity, Nitinol is susceptible to high-temperature applications. Extensive research has been conducted to discover SMAs with improved higher-temperature properties by considering PGM-bearing B2 Ti-based compounds. In this study, the impact of palladium (Pd) addition on Ti50Ru50 to yield Ti50Ru50- xPdx ternary compounds with martensitic transformation (MT) was investigated by employing a supercell approach. With the addition of Pd up to 25 at. %, B2 Ti50Ru50-xPdx remained stable (C11>C12), while ternaries with Pd ≥ 31.25 at. % were found unstable (C11<C12). |
| format | Article |
| id | doaj-art-fd2afdde66274bdba4d1fc8e27f001c2 |
| institution | DOAJ |
| issn | 2261-236X |
| language | English |
| publishDate | 2024-01-01 |
| publisher | EDP Sciences |
| record_format | Article |
| series | MATEC Web of Conferences |
| spelling | doaj-art-fd2afdde66274bdba4d1fc8e27f001c22025-08-20T02:49:50ZengEDP SciencesMATEC Web of Conferences2261-236X2024-01-014060600210.1051/matecconf/202440606002matecconf_rapdasa2024_06002Effect of Pd substitution on elastic and lattice dynamic properties of B2 Ti50Ru50 – ab initio studyNgobe Bongani0Molepo Mahlaga1Mkhonto Donald2Phasha Maje3Advanced Materials Division, MINTEKSchool of Physics, University of the WitwatersrandAdvanced Materials Division, MINTEKAdvanced Materials Division, MINTEKOwing to Nitinol's success, shape memory alloys (SMAs) enjoy unwavering attention as key futuristic intelligent structural materials. Despite the excellent shape memory effect (SME) and pseudo-elasticity, Nitinol is susceptible to high-temperature applications. Extensive research has been conducted to discover SMAs with improved higher-temperature properties by considering PGM-bearing B2 Ti-based compounds. In this study, the impact of palladium (Pd) addition on Ti50Ru50 to yield Ti50Ru50- xPdx ternary compounds with martensitic transformation (MT) was investigated by employing a supercell approach. With the addition of Pd up to 25 at. %, B2 Ti50Ru50-xPdx remained stable (C11>C12), while ternaries with Pd ≥ 31.25 at. % were found unstable (C11<C12).https://www.matec-conferences.org/articles/matecconf/pdf/2024/18/matecconf_rapdasa2024_06002.pdf |
| spellingShingle | Ngobe Bongani Molepo Mahlaga Mkhonto Donald Phasha Maje Effect of Pd substitution on elastic and lattice dynamic properties of B2 Ti50Ru50 – ab initio study MATEC Web of Conferences |
| title | Effect of Pd substitution on elastic and lattice dynamic properties of B2 Ti50Ru50 – ab initio study |
| title_full | Effect of Pd substitution on elastic and lattice dynamic properties of B2 Ti50Ru50 – ab initio study |
| title_fullStr | Effect of Pd substitution on elastic and lattice dynamic properties of B2 Ti50Ru50 – ab initio study |
| title_full_unstemmed | Effect of Pd substitution on elastic and lattice dynamic properties of B2 Ti50Ru50 – ab initio study |
| title_short | Effect of Pd substitution on elastic and lattice dynamic properties of B2 Ti50Ru50 – ab initio study |
| title_sort | effect of pd substitution on elastic and lattice dynamic properties of b2 ti50ru50 ab initio study |
| url | https://www.matec-conferences.org/articles/matecconf/pdf/2024/18/matecconf_rapdasa2024_06002.pdf |
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