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Thermodynamic model...
Thermodynamic modeling of the Al-C-Mn system supported by ab initio calculations
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- Zheng, Weisen (författare)
- KTH,Materialvetenskap
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- Lu, Xiao-Gang (författare)
- Shanghai Univ, Sch Mat Sci & Engn, Shanghai 200444, Peoples R China.
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- Mao, Huahai, 1971- (författare)
- KTH,Termodynamisk modellering
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- He, Yanlin (författare)
- Shanghai Univ, Sch Mat Sci & Engn, Shanghai 200444, Peoples R China.
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- Selleby, Malin, 1963- (författare)
- KTH,Materialvetenskap
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- Li, Lin (författare)
- Shanghai Univ, Sch Mat Sci & Engn, Shanghai 200444, Peoples R China.
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- Ågren, John (författare)
- KTH,Materialvetenskap
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(creator_code:org_t)
- ELSEVIER SCIENCE SA, 2018
- 2018
- Engelska.
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Ingår i: Calphad. - : ELSEVIER SCIENCE SA. - 0364-5916 .- 1873-2984. ; , s. 222-230
- Relaterad länk:
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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
- A CALPHAD-type thermodynamic assessment of the Al-C-Mn system was carried out in the present work. Special attention was paid to the ternary κ-phase with the aid of ab initio calculations. The enthalpies of formation at 0 K of all end-members of the κ phase were derived from the ab initio calculations and utilized in the present optimization. The κ phase was modeled as an ordered form of the fcc structure for the substitutional sub-lattices, employing the following formula within the framework of compound energy formalism: (Al,Mn)0.25(Al,Mn)0.25(Al,Mn)0.25(Al,Mn)0.25(C,Va)0.25. With the present optimized model parameters, the wide homogeneity range of the κ phase was reproduced satisfactorily. Comparison between the predicted and measured phase equilibria as well as the ab initio calculation results validates the present optimized model parameters.
Ämnesord
- TEKNIK OCH TEKNOLOGIER -- Materialteknik -- Metallurgi och metalliska material (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Materials Engineering -- Metallurgy and Metallic Materials (hsv//eng)
Nyckelord
- Al-C-Mn
- kappa phase
- partitioning model
- ab initio
- CALPHAD
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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