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http://elar.urfu.ru/handle/10995/118104
Название: | Kinetics of Ordering and Decomposition in Ti-Al-X (X = Si, Zr) Alloys: Monte Carlo Modeling |
Авторы: | Petrik, M. Razumov, I. Gornostyrev, Y. Naschetnikova, I. Popov, A. |
Дата публикации: | 2022 |
Издатель: | MDPI |
Библиографическое описание: | Kinetics of Ordering and Decomposition in Ti-Al-X (X = Si, Zr) Alloys: Monte Carlo Modeling / M. Petrik, I. Razumov, Y. Gornostyrev et al. // Materials. — 2022. — Vol. 15. — Iss. 16. — 5722. |
Аннотация: | 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 Ti3Al 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 Ti3Al 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. © 2022 by the authors. |
Ключевые слова: | AB INITIO CALCULATIONS MONTE CARLO MODELING ORDERING AND DECOMPOSITION KINETICS TITANIUM ALLOYS ALUMINUM ALLOYS ANNEALING BINARY ALLOYS CALCULATIONS INTELLIGENT SYSTEMS MONTE CARLO METHODS PRECIPITATION (CHEMICAL) SILICON ALLOYS ZIRCALOY AB INITIO CALCULATIONS DECOMPOSITION KINETICS DECOMPOSITION PROCESS FIRST PRINCIPLES MONTE CARLO MODEL MONTE CARLO'S SIMULATION ORDERING AND DECOMPOSITION KINETIC ORDERING PROCESS TITANIUM (ALLOYS) ZR ALLOYS TITANIUM ALLOYS |
URI: | http://elar.urfu.ru/handle/10995/118104 |
Условия доступа: | info:eu-repo/semantics/openAccess |
Идентификатор SCOPUS: | 85137677676 |
Идентификатор WOS: | 000846588500001 |
Идентификатор PURE: | 30899495 |
ISSN: | 19961944 |
DOI: | 10.3390/ma15165722 |
Сведения о поддержке: | Ministry of Education and Science of the Russian Federation, Minobrnauka: AAA-A18-118020190116-6 The research was carried out within the state assignment of the Ministry of Science and Higher Education of the Russian Federation (topic Structure, No. AAA-A18-118020190116-6). |
Располагается в коллекциях: | Научные публикации ученых УрФУ, проиндексированные в SCOPUS и WoS CC |
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Файл | Описание | Размер | Формат | |
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2-s2.0-85137677676.pdf | 3,92 MB | Adobe PDF | Просмотреть/Открыть |
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