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Ab-initio based mod...
Ab-initio based modeling of precipitation in Al–(Sc,Zr) alloy. Formation and stability of a core–shell structure
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- Stroev, A.Yu. (författare)
- National Research Centre ”Kurchatov Institute”, 123182, Moscow, Russia; Moscow Institute of Physics and Technology (State University), 141700, Dolgoprudny, Moscow Region, Russia,Natl Res Ctr Kurchatov Inst, Moscow 123182, Russia.;State Univ, Moscow Inst Phys & Technol, Dolgoprudnyi 141700, Moscow Reg, Russia.
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- Gorbatov, Oleg I. (författare)
- Luleå tekniska universitet,Materialvetenskap,Laboratory for Mechanics of Gradient Nanomaterials, Nosov Magnitogorsk State Technical University, Magnitogorsk 455000, Russia,Luleå Univ Technol, Dept Engn Sci & Math, Div Mat Sci, Appl Phys, S-97187 Luleå, Sweden.;Nosov Magnitogorsk State Tech Univ, Lab Mech Gradient Nanomat, Magnitogorsk 455000, Russia.
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- Gornostyrev, Yu.N. (författare)
- Institute of Metal Physics, Ural Division RAS, Ekaterinburg 620219, Russia,RAS, Inst Met Phys, Ural Div, Ekaterinburg 620219, Russia.
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- Korzhavyi, Pavel A., 1966- (författare)
- KTH,Egenskaper,Department of Materials Science and Engineering, KTH Royal Institute of Technology, SE-100 44 Stockholm, Sweden
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National Research Centre ”Kurchatov Institute”, 123182, Moscow, Russia; Moscow Institute of Physics and Technology (State University), 141700, Dolgoprudny, Moscow Region, Russia Natl Res Ctr Kurchatov Inst, Moscow 123182, Russia;State Univ, Moscow Inst Phys & Technol, Dolgoprudnyi 141700, Moscow Reg, Russia. (creator_code:org_t)
- Elsevier, 2023
- 2023
- Engelska.
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Ingår i: Computational materials science. - : Elsevier. - 0927-0256 .- 1879-0801. ; 218
- 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
- Statistical alloy theory based on the Master Equation approach with ab initio calculated interatomic interactions is employed to investigate the growth of precipitates at the early stages of solid solution decomposition, as well as the dissolution of small precipitates during the coarsening stage, upon simulated annealing of ternary Al–Sc–Zr alloys. We show, in agreement with previous studies, that the Zr alloying to Al–Sc alloys promotes the formation of core–shell nanoparticles whose structure is found to be very sensitive to the parameters characterizing the solute diffusion rates in the alloy. We demonstrate that the core–shell structure of precipitates slows down the dissolution of small particles, thus hampering the microstructure coarsening at elevated temperatures.
Ämnesord
- TEKNIK OCH TEKNOLOGIER -- Materialteknik -- Metallurgi och metalliska material (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Materials Engineering -- Metallurgy and Metallic Materials (hsv//eng)
- NATURVETENSKAP -- Kemi -- Fysikalisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Physical Chemistry (hsv//eng)
Nyckelord
- Ab initio based modeling
- Aluminum-based alloys
- Core–shell structure
- Precipitation
- Applied Physics
- Tillämpad fysik
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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