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Machine learning-en...
Machine learning-enabled high-entropy alloy discovery
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- Rao, Ziyuan (author)
- Max Planck Inst Eisenforsch GmbH, Dusseldorf, Germany.
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- Tung, Po-Yen (author)
- Max Planck Inst Eisenforsch GmbH, Dusseldorf, Germany.;Univ Cambridge, Dept Earth Sci, Cambridge, England.
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- Xie, Ruiwen (author)
- Tech Univ Darmstadt, Inst Mat, Darmstadt, Germany.
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- Wei, Ye (author)
- Max Planck Inst Eisenforsch GmbH, Dusseldorf, Germany.
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- Zhang, Hongbin (author)
- Tech Univ Darmstadt, Inst Mat, Darmstadt, Germany.
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- Ferrari, Alberto (author)
- Delft Univ Technol, Mat Sci & Engn, Delft, Netherlands.
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- Klaver, T. P. C. (author)
- Delft Univ Technol, Mat Sci & Engn, Delft, Netherlands.
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- Koermann, Fritz (author)
- Max Planck Inst Eisenforsch GmbH, Dusseldorf, Germany.;Delft Univ Technol, Mat Sci & Engn, Delft, Netherlands.
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- Sukumar, Prithiv Thoudden (author)
- Max Planck Inst Eisenforsch GmbH, Dusseldorf, Germany.
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- da Silva, Alisson Kwiatkowski (author)
- Max Planck Inst Eisenforsch GmbH, Dusseldorf, Germany.
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- Chen, Yao (author)
- Max Planck Inst Eisenforsch GmbH, Dusseldorf, Germany.;Southeast Univ, Sch Civil Engn, Nanjing, Peoples R China.
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- Li, Zhiming (author)
- Max Planck Inst Eisenforsch GmbH, Dusseldorf, Germany.;Cent South Univ, Sch Mat Sci & Engn, Changsha, Peoples R China.
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- Ponge, Dirk (author)
- Max Planck Inst Eisenforsch GmbH, Dusseldorf, Germany.
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- Neugebauer, Joerg (author)
- Max Planck Inst Eisenforsch GmbH, Dusseldorf, Germany.
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- Gutfleisch, Oliver (author)
- Max Planck Inst Eisenforsch GmbH, Dusseldorf, Germany.;Tech Univ Darmstadt, Inst Mat, Darmstadt, Germany.
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- Bauer, Stefan (author)
- KTH,Intelligenta system
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- Raabe, Dierk (author)
- Max Planck Inst Eisenforsch GmbH, Dusseldorf, Germany.
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Max Planck Inst Eisenforsch GmbH, Dusseldorf, Germany Max Planck Inst Eisenforsch GmbH, Dusseldorf, Germany.;Univ Cambridge, Dept Earth Sci, Cambridge, England. (creator_code:org_t)
- American Association for the Advancement of Science (AAAS), 2022
- 2022
- English.
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In: Science. - : American Association for the Advancement of Science (AAAS). - 0036-8075 .- 1095-9203. ; 378:6615, s. 78-84
- Related links:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
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- High-entropy alloys are solid solutions of multiple principal elements that are capable of reaching composition and property regimes inaccessible for dilute materials. Discovering those with valuable properties, however, too often relies on serendipity, because thermodynamic alloy design rules alone often fail in high-dimensional composition spaces. We propose an active learning strategy to accelerate the design of high-entropy Invar alloys in a practically infinite compositional space based on very sparse data. Our approach works as a closed-loop, integrating machine learning with density-functional theory, thermodynamic calculations, and experiments. After processing and characterizing 17 new alloys out of millions of possible compositions, we identified two high-entropy Invar alloys with extremely low thermal expansion coefficients around 2 x 10-6 per degree kelvin at 300 kelvin. We believe this to be a suitable pathway for the fast and automated discovery of high-entropy alloys with optimal thermal, magnetic, and electrical properties.
Subject headings
- TEKNIK OCH TEKNOLOGIER -- Materialteknik -- Metallurgi och metalliska material (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Materials Engineering -- Metallurgy and Metallic Materials (hsv//eng)
Publication and Content Type
- ref (subject category)
- art (subject category)
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- By the author/editor
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Rao, Ziyuan
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Tung, Po-Yen
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Xie, Ruiwen
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Wei, Ye
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Zhang, Hongbin
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Ferrari, Alberto
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show more...
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Klaver, T. P. C.
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Koermann, Fritz
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Sukumar, Prithiv ...
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da Silva, Alisso ...
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Chen, Yao
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Li, Zhiming
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Ponge, Dirk
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Neugebauer, Joer ...
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Gutfleisch, Oliv ...
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Bauer, Stefan
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Raabe, Dierk
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- ENGINEERING AND TECHNOLOGY
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ENGINEERING AND ...
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and Materials Engine ...
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and Metallurgy and M ...
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Science
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Royal Institute of Technology