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First-principles in...
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Liu, YeSchool of Materials Science and Engineering, Xiangtan University, 411105 Xiangtan, China
(författare)
First-principles investigation on the thermodynamic and mechanical properties of Y4Zr3O12 and Y2Ti2O7 oxides in ferritic alloy under helium environment
- Artikel/kapitelEngelska2024
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Elsevier,2024
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electronicrdacarrier
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LIBRIS-ID:oai:DiVA.org:ltu-104310
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https://urn.kb.se/resolve?urn=urn:nbn:se:ltu:diva-104310URI
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https://doi.org/10.1016/j.jmrt.2024.01.192DOI
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Språk:engelska
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Sammanfattning på:engelska
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Ämneskategori:ref swepub-contenttype
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Ämneskategori:art swepub-publicationtype
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Godkänd;2024;Nivå 0;2024-04-08 (marisr);Funder: State Key Laboratory of Powder Metallurgy of Central South University (52071136); Educational Commission of Hunan Province of China (23B0136); National Natural Science Foundation of China (51604240, 51974029, 52074032, 52374366); Provincial Natural Science Foundation of Hunan (2022JJ30564, 2022JJ40438); Beijing Natural Science Foundation (2232084, 52101152); Guangdong Basic and Applied Basic Research Foundation (2021B1515120033); Central South University; State Key Laboratory of Powder Metallurgy; Basic and Applied Basic Research Foundation of Guangdong Province; Natural Science Foundation of Beijing Municipality;Full text license: CC BY-NC-ND
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This study investigates the thermodynamic and mechanical properties of Y4Zr3O12 and Y2Ti2O7 oxides in ferritic alloys with and without Helium utilizing a systematic first-principles approach. Firstly, the atomic arrangement of Y and Zr atoms at cation 18f sites in δ-(Y–Zr–O) oxide is identified, while it is found that Y4Zr3O12 exhibits a more robust formation tendency than Y2Ti2O7. Furthermore, it is noted that both Y4Zr3O12 and Y2Ti2O7 oxides demonstrate a prior ability to trap Helium compared to the bcc-Fe matrix, which leads to a substantial enhancement on the stiffness of both oxides. The elastic moduli of both Y4Zr3O12 and Y2Ti2O7 oxide exhibit a gradual increase with the growing Helium concentration. As a result, the enhanced shear modulus of oxides and sustained shear modulus of the bcc-Fe matrix collectively contribute to the overall strength of ferritic alloys under Helium environments. The findings in this work propose valuable insights for guiding critical strategies in the design of high-performance oxide-dispersion-strengthened ferritic alloys, particularly for applications in Helium environments.
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Biuppslag (personer, institutioner, konferenser, titlar ...)
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Lin, ZunminSchool of Materials Science and Engineering, Xiangtan University, 411105 Xiangtan, China
(författare)
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He, ShuangSchool of Materials Science and Engineering, Xiangtan University, 411105 Xiangtan, China
(författare)
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Zhang, LinBeijing Advanced Innovation Center for Materials Genome Engineering, Institute for Advanced Materials and Technology, University of Science and Technology Beijing, 100083, Beijing, China; Institute of Materials Intelligent Technology, Liaoning Academy of Materials, 110004 Shenyang, China
(författare)
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Chen, XuSchool of Materials Science and Engineering, Xiangtan University, 411105 Xiangtan, China
(författare)
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Tan, QiankunSchool of Materials Science and Engineering, Xiangtan University, 411105 Xiangtan, China
(författare)
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Gorbatov, Oleg I.Luleå tekniska universitet,Materialvetenskap(Swepub:ltu)olegor
(författare)
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Peng, PingSchool of Materials Science and Engineering, Hunan University, 410082 Changsha, China
(författare)
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Qu, XuanhuiBeijing Advanced Innovation Center for Materials Genome Engineering, Institute for Advanced Materials and Technology, University of Science and Technology Beijing, 100083, Beijing, China
(författare)
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School of Materials Science and Engineering, Xiangtan University, 411105 Xiangtan, ChinaBeijing Advanced Innovation Center for Materials Genome Engineering, Institute for Advanced Materials and Technology, University of Science and Technology Beijing, 100083, Beijing, China; Institute of Materials Intelligent Technology, Liaoning Academy of Materials, 110004 Shenyang, China
(creator_code:org_t)
Sammanhörande titlar
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Ingår i:Journal of Materials Research and Technology: Elsevier29, s. 1872-18862238-78542214-0697
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