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Segregation of allo...
Segregation of alloying elements to stabilize theta ' phase interfaces in Al-Cu based alloys
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Petrik, M. , V (author)
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- Gornostyrev, Yu N. (author)
- RAS, Inst Met Phys, Ural Div, Ekaterinburg 620219, Russia.
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- Korzhavyi, Pavel A., 1966- (author)
- KTH,Materialvetenskap,RAS, Inst Met Phys, Ural Div, Ekaterinburg 620219, Russia.
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RAS, Inst Met Phys, Ural Div, Ekaterinburg 620219, Russia Materialvetenskap (creator_code:org_t)
- Elsevier BV, 2021
- 2021
- English.
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In: Scripta Materialia. - : Elsevier BV. - 1359-6462 .- 1872-8456. ; 202
- 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
Subject headings
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- Interactions of alloying elements (Si, Mg, Mn, Zr, Zn) and vacancies with coherent interfaces of theta' phase in Al-based alloys have been systematically studied by means of ab initio supercell calculations. The interface structure with a half-filled interfacial Cu layer is calculated to be lower in energy (by 0.1 eV per structural vacancy) than the structure with a filled Cu layer; the degree of interface reconstruction depends on the availability of vacancies. The presence of vacancies in the interfacial Cu layer plays a crucial role in the interaction of solutes with coherent theta' phase interfaces. The solute-interface interaction energies are calculated to be much weaker for elements having closed (Cu, Zn) or empty (Mg, Si) d-electron shells than for d-transition metals (Mn, Zr). To clarify the roles of alloying elements and interface structure in the stability of theta' phase precipitates, we analyze the solute-interface interactions in terms of electronic-structure and atomic-size contributions to interatomic bonding.
Subject headings
- 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)
Keyword
- Aluminum alloys
- point defects
- ab initio calculations
- phase transformation
Publication and Content Type
- ref (subject category)
- art (subject category)
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