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Material informatic...
Material informatics for uranium-bearing equiatomic disordered solid solution alloys
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- Huang, He (författare)
- KTH,Materialvetenskap,Sci & Technol Surface Phys & Chem Lab, Mianyang 621907, Sichuan, Peoples R China.;Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, SE-10044 Stockholm, Sweden.
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- Wang, Xin (författare)
- China Acad Engn Phys, Inst Mat, Mianyang 621900, Sichuan, Peoples R China.
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- Shi, Jie (författare)
- Sci & Technol Surface Phys & Chem Lab, Mianyang 621907, Sichuan, Peoples R China.
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- Huang, Huogen (författare)
- China Acad Engn Phys, Inst Mat, Mianyang 621900, Sichuan, Peoples R China.
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- Zhao, Yawen (författare)
- China Acad Engn Phys, Inst Mat, Mianyang 621900, Sichuan, Peoples R China.
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- Xu, Haiyan (författare)
- China Acad Engn Phys, Inst Mat, Mianyang 621900, Sichuan, Peoples R China.
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- Zhang, Pengguo (författare)
- China Acad Engn Phys, Inst Mat, Mianyang 621900, Sichuan, Peoples R China.
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- Long, Zhong (författare)
- China Acad Engn Phys, Inst Mat, Mianyang 621900, Sichuan, Peoples R China.
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- Bai, Bin (författare)
- China Acad Engn Phys, Inst Mat, Mianyang 621900, Sichuan, Peoples R China.
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- Fa, Tao (författare)
- China Acad Engn Phys, Inst Mat, Mianyang 621900, Sichuan, Peoples R China.
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- Ma, Ce (författare)
- Sci & Technol Surface Phys & Chem Lab, Mianyang 621907, Sichuan, Peoples R China.
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- Li, Fangfang (författare)
- China Acad Engn Phys, Inst Mat, Mianyang 621900, Sichuan, Peoples R China.
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- Meng, Daqiao (författare)
- China Acad Engn Phys, Inst Mat, Mianyang 621900, Sichuan, Peoples R China.
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- Li, Xiaoqing (författare)
- KTH,Materialvetenskap,Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, SE-10044 Stockholm, Sweden.
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- Schönecker, Stephan (författare)
- KTH,Materialvetenskap,Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, SE-10044 Stockholm, Sweden.
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- Vitos, Levente (författare)
- Uppsala universitet,KTH,Materialvetenskap,Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, SE-10044 Stockholm, Sweden.;Dept Phys & Astron, Div Mat Theory, SE-75120 Uppsala, Sweden.;Wigner Res Ctr Phys, Inst Solid State Phys & Opt, H-1525 Budapest, Hungary.,Materialteori
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(creator_code:org_t)
- Elsevier BV, 2021
- 2021
- Engelska.
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Ingår i: Materials Today Communications. - : Elsevier BV. - 2352-4928. ; 29
- Relaterad länk:
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https://doi.org/10.1...
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https://doi.org/10.1...
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https://uu.diva-port... (primary) (Raw object)
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https://urn.kb.se/re...
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https://doi.org/10.1...
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https://urn.kb.se/re...
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Abstract
Ämnesord
Stäng
- Near-equiatomic, multi-component alloys with disordered solid solution phase (DSSP) are associated with outstanding performance in phase stability, mechanical properties and irradiation resistance, and may provide a feasible solution for developing novel uranium-based alloys with better fuel capacity. In this work, we build a machine learning (ML) model of disordered solid solution alloys (DSSAs) based on about 6000 known multicomponent alloys and several materials descriptors to efficiently predict the DSSAs formation ability. To fully optimize the ML model, we develop a multi-algorithm cross-verification approach in combination with the SHapley Additive exPlanations value (SHAP value). We find that the Delta S-C, Lambda, Phi(s), gamma and 1/Omega, corresponding to the former two Hume - Rothery (H - R) rules, are the most important materials descriptors affecting DSSAs formation ability. When the ML model is applied to the 375 uranium-bearing DSSAs, 190 of them are predicted to be the DSSAs never known before. 20 of these alloys were randomly synthesized and characterized. Our predictions are in-line with experiments with 3 inconsistent cases, suggesting that our strategy offers a fast and accurate way to predict novel multi-component alloys with high DSSAs formation ability. These findings shed considerable light on the mapping between the material descriptors and DSSAs formation ability.
Ämnesord
- TEKNIK OCH TEKNOLOGIER -- Materialteknik -- Metallurgi och metalliska material (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Materials Engineering -- Metallurgy and Metallic Materials (hsv//eng)
- NATURVETENSKAP -- Kemi -- Materialkemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Materials Chemistry (hsv//eng)
Nyckelord
- Uranium alloys
- Disordered solid solution phase
- Machine-learning model
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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Till lärosätets databas
- Av författaren/redakt...
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Huang, He
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Wang, Xin
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Shi, Jie
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Huang, Huogen
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Zhao, Yawen
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Xu, Haiyan
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visa fler...
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Zhang, Pengguo
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Long, Zhong
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Bai, Bin
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Fa, Tao
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Ma, Ce
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Li, Fangfang
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Meng, Daqiao
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Li, Xiaoqing
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Schönecker, Step ...
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Vitos, Levente
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- Om ämnet
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- TEKNIK OCH TEKNOLOGIER
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TEKNIK OCH TEKNO ...
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och Materialteknik
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och Metallurgi och m ...
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- NATURVETENSKAP
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NATURVETENSKAP
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och Kemi
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och Materialkemi
- Artiklar i publikationen
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Materials Today ...
- Av lärosätet
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Kungliga Tekniska Högskolan
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Uppsala universitet