Machine learning-driven synthesis of TiZrNbHfTaC5 high-entropy carbide; npj Computational Materials; Vol. 9
| Parent link: | npj Computational Materials Vol. 9.— 2023.— [7, 11 p.] |
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| 企業作者: | |
| 其他作者: | , , , , , , , , |
| 總結: | Title screen Synthesis of high-entropy carbides (HEC) requires high temperatures that can be provided by electric arc plasma method. However, the formation temperature of a single-phase sample remains unknown. Moreover, under some temperatures multi-phase structures can emerge. In this work, we developed an approach for a controllable synthesis of HEC TiZrNbHfTaC5 based on theoretical and experimental techniques. We used Canonical Monte Carlo (CMC) simulations with the machine learning interatomic potentials to determine the temperature conditions for the formation of single-phase and multi-phase samples. In full agreement with the theory, the single-phase sample, produced with electric arc discharge, was observed at 2000 K. Below 1200 K, the sample decomposed into (Ti-Nb-Ta)C, and a mixture of (Zr-Hf-Ta)C, (Zr-Nb-Hf)C, (Zr-Nb)C, and (Zr-Ta)C. Our results demonstrate the conditions for the formation of HEC and we anticipate that our approach can pave the way towards targeted synthesis of multicomponent materials. Режим доступа: по договору с организацией-держателем ресурса |
| 語言: | 英语 |
| 出版: |
2023
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| 主題: | |
| 在線閱讀: | https://doi.org/10.1038/s41524-022-00955-9 |
| 格式: | 電子 Book Chapter |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=669103 |
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| 200 | 1 | |a Machine learning-driven synthesis of TiZrNbHfTaC5 high-entropy carbide |f A. Ya. Pak, V. Sotskov, A. A. Gumovskaya [et al.] | |
| 203 | |a Text |c electronic | ||
| 300 | |a Title screen | ||
| 320 | |a [References: 66 tit.] | ||
| 330 | |a Synthesis of high-entropy carbides (HEC) requires high temperatures that can be provided by electric arc plasma method. However, the formation temperature of a single-phase sample remains unknown. Moreover, under some temperatures multi-phase structures can emerge. In this work, we developed an approach for a controllable synthesis of HEC TiZrNbHfTaC5 based on theoretical and experimental techniques. We used Canonical Monte Carlo (CMC) simulations with the machine learning interatomic potentials to determine the temperature conditions for the formation of single-phase and multi-phase samples. In full agreement with the theory, the single-phase sample, produced with electric arc discharge, was observed at 2000 K. Below 1200 K, the sample decomposed into (Ti-Nb-Ta)C, and a mixture of (Zr-Hf-Ta)C, (Zr-Nb-Hf)C, (Zr-Nb)C, and (Zr-Ta)C. Our results demonstrate the conditions for the formation of HEC and we anticipate that our approach can pave the way towards targeted synthesis of multicomponent materials. | ||
| 333 | |a Режим доступа: по договору с организацией-держателем ресурса | ||
| 461 | |t npj Computational Materials | ||
| 463 | |t Vol. 9 |v [7, 11 p.] |d 2023 | ||
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| 701 | 1 | |a Sotskov |b V. |g Vadim | |
| 701 | 1 | |a Gumovskaya |b A. A. |c Specialist in the field of electric power engineering |c Engineer of Tomsk Polytechnic University |f 1999- |g Arina Andreevna |3 (RuTPU)RU\TPU\pers\47086 | |
| 701 | 1 | |a Vasiljeva (Vassilyeva) |b Yu. Z. |c specialist in the field of electric power engineering |c Researcher, Associate Professor of Tomsk Polytechnic University, Candidate of Technical Sciences |f 1995- |g Yuliya Zakharovna |3 (RuTPU)RU\TPU\pers\46740 |9 22376 | |
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| 701 | 1 | |a Kvashnina |b Yu. A. |g Yulia Aleksandrovna | |
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