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First-principles st...
First-principles study of the Σ3(112) grain boundary in Fe-rich Fe-Cr alloys
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- Yang, Yaochun (författare)
- Dalian Univ Technol, Minist Educ, Key Lab Mat Modificat Laser Electron & Ion Beams, Dalian 116024, Peoples R China.;Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, SE-10044 Stockholm, Sweden.
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- Schonecker, Stephan (författare)
- Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, SE-10044 Stockholm, Sweden.
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- Li, Wei (författare)
- Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, SE-10044 Stockholm, Sweden.
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- Wang, Ci (författare)
- Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, SE-10044 Stockholm, Sweden.
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- Huang, Shaosong (författare)
- Dalian Univ Technol, Minist Educ, Key Lab Mat Modificat Laser Electron & Ion Beams, Dalian 116024, Peoples R China.
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- Zhao, Jijun (författare)
- Dalian Univ Technol, Minist Educ, Key Lab Mat Modificat Laser Electron & Ion Beams, Dalian 116024, Peoples R China.
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- Vitos, Levente (författare)
- Uppsala universitet,Materialteori,Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, SE-10044 Stockholm, Sweden;Wigner Res Ctr Phys, Res Inst Solid State Phys & Opt, POB 49, H-1525 Budapest, Hungary.
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Dalian Univ Technol, Minist Educ, Key Lab Mat Modificat Laser Electron & Ion Beams, Dalian 116024, Peoples R China;Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, SE-10044 Stockholm, Sweden. Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, SE-10044 Stockholm, Sweden. (creator_code:org_t)
- Elsevier BV, 2020
- 2020
- Engelska.
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Ingår i: Scripta Materialia. - : Elsevier BV. - 1359-6462 .- 1872-8456. ; 181, s. 140-143
- Relaterad länk:
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https://doi.org/10.1...
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- We report a first-principles investigation of the Sigma 3(112) grain boundary (GB) in body-centered cubic Fe-rich Fe1-xCrx alloy as a function of chemical composition and temperature. The equilibrium amount of Cr at the GB undergoes a sharp transition from slight enrichment in low-alloyed Fe-Cr (x <= 0.06-0.08) to complete Cr saturation for 0.08 <= x <= 0.15. The GB chemistry at room-temperature and below is characterized by miscibility gaps, destabilizing a Fe-Cr interfacial solid solution towards decomposition into Fe-rich and Cr-rich clusters. The Cr-rich clusters at the GB may serve as nucleation centers for secondary phases in Fe-Cr alloys.
Ämnesord
- TEKNIK OCH TEKNOLOGIER -- Materialteknik -- Metallurgi och metalliska material (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Materials Engineering -- Metallurgy and Metallic Materials (hsv//eng)
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
Nyckelord
- Fe-Cr alloys
- Grain boundary
- Segregation
- Phase
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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