Kinetics of Ordering and Decomposition in Ti-Al-X (X = Si, Zr) Alloys: Monte Carlo Modeling
To investigate the ordering and decomposition processes in Ti-Al-X [X = Si, Zr] alloys, the Monte Carlo simulations with first-principles parametrization of interatomic interactions were employed. It was shown that the processes of ordering and the precipitation in the Ti-Al system are closely relat...
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2022-08-01
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| Online Access: | https://www.mdpi.com/1996-1944/15/16/5722 |
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| author | Mikhail Petrik Ilya Razumov Yuri Gornostyrev Inna Naschetnikova Artemyi Popov |
| author_facet | Mikhail Petrik Ilya Razumov Yuri Gornostyrev Inna Naschetnikova Artemyi Popov |
| author_sort | Mikhail Petrik |
| collection | DOAJ |
| description | To investigate the ordering and decomposition processes in Ti-Al-X [X = Si, Zr] alloys, the Monte Carlo simulations with first-principles parametrization of interatomic interactions were employed. It was shown that the processes of ordering and the precipitation in the Ti-Al system are closely related, and the stage of homogeneous ordering precedes the formation of ordered Ti<sub>3</sub>Al particles. It was found that the duration of homogeneous ordering is very sensitive to the annealing temperature and composition of alloy, and that precipitation becomes preferable as the temperature rises. In particular, uniform ordering of alloy Ti-12 at % Al was found during long-term holding at temperature below 850 K, while annealing at 1000 K resulted in formation of ordered Ti<sub>3</sub>Al particles. The obtained results agree well with the experimental data and allow explaining the features of the microstructure formed during annealing of the Ti-Al-X alloys. |
| first_indexed | 2024-03-09T04:09:21Z |
| format | Article |
| id | doaj.art-1220cdfd16bf495eb0efbdf79120e34e |
| institution | Directory Open Access Journal |
| issn | 1996-1944 |
| language | English |
| last_indexed | 2024-03-09T04:09:21Z |
| publishDate | 2022-08-01 |
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| series | Materials |
| spelling | doaj.art-1220cdfd16bf495eb0efbdf79120e34e2023-12-03T14:02:20ZengMDPI AGMaterials1996-19442022-08-011516572210.3390/ma15165722Kinetics of Ordering and Decomposition in Ti-Al-X (X = Si, Zr) Alloys: Monte Carlo ModelingMikhail Petrik0Ilya Razumov1Yuri Gornostyrev2Inna Naschetnikova3Artemyi Popov4Mikheev Institute of Metal Physics, Ural Branch, Russian Academy of Sciences, Ekaterinburg 620108, RussiaMikheev Institute of Metal Physics, Ural Branch, Russian Academy of Sciences, Ekaterinburg 620108, RussiaMikheev Institute of Metal Physics, Ural Branch, Russian Academy of Sciences, Ekaterinburg 620108, RussiaMikheev Institute of Metal Physics, Ural Branch, Russian Academy of Sciences, Ekaterinburg 620108, RussiaHeat Treatment and Physics of Metals Department, Ural Federal University Named after The First President of Russia B.N. Yeltsin, Ekaterinburg 620002, RussiaTo investigate the ordering and decomposition processes in Ti-Al-X [X = Si, Zr] alloys, the Monte Carlo simulations with first-principles parametrization of interatomic interactions were employed. It was shown that the processes of ordering and the precipitation in the Ti-Al system are closely related, and the stage of homogeneous ordering precedes the formation of ordered Ti<sub>3</sub>Al particles. It was found that the duration of homogeneous ordering is very sensitive to the annealing temperature and composition of alloy, and that precipitation becomes preferable as the temperature rises. In particular, uniform ordering of alloy Ti-12 at % Al was found during long-term holding at temperature below 850 K, while annealing at 1000 K resulted in formation of ordered Ti<sub>3</sub>Al particles. The obtained results agree well with the experimental data and allow explaining the features of the microstructure formed during annealing of the Ti-Al-X alloys.https://www.mdpi.com/1996-1944/15/16/5722titanium alloysordering and decomposition kineticsab initio calculationsMonte Carlo modeling |
| spellingShingle | Mikhail Petrik Ilya Razumov Yuri Gornostyrev Inna Naschetnikova Artemyi Popov Kinetics of Ordering and Decomposition in Ti-Al-X (X = Si, Zr) Alloys: Monte Carlo Modeling Materials titanium alloys ordering and decomposition kinetics ab initio calculations Monte Carlo modeling |
| title | Kinetics of Ordering and Decomposition in Ti-Al-X (X = Si, Zr) Alloys: Monte Carlo Modeling |
| title_full | Kinetics of Ordering and Decomposition in Ti-Al-X (X = Si, Zr) Alloys: Monte Carlo Modeling |
| title_fullStr | Kinetics of Ordering and Decomposition in Ti-Al-X (X = Si, Zr) Alloys: Monte Carlo Modeling |
| title_full_unstemmed | Kinetics of Ordering and Decomposition in Ti-Al-X (X = Si, Zr) Alloys: Monte Carlo Modeling |
| title_short | Kinetics of Ordering and Decomposition in Ti-Al-X (X = Si, Zr) Alloys: Monte Carlo Modeling |
| title_sort | kinetics of ordering and decomposition in ti al x x si zr alloys monte carlo modeling |
| topic | titanium alloys ordering and decomposition kinetics ab initio calculations Monte Carlo modeling |
| url | https://www.mdpi.com/1996-1944/15/16/5722 |
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