SwePub - sökning: id:"swepub:oai:DiVA.org:kth-29...

Numrering	Referens	Omslagsbild	Hitta
1.	Petrik, M. , V, et al. (författare) Segregation of alloying elements to stabilize theta ' phase interfaces in Al-Cu based alloys 2021 Ingår i: Scripta Materialia. - : Elsevier BV. - 1359-6462 .- 1872-8456. ; 202 Tidskriftsartikel (refereegranskat)abstract 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.

Petrik, M. , V, et al. (författare)
Segregation of alloying elements to stabilize theta ' phase interfaces in Al-Cu based alloys
2021
Ingår i: Scripta Materialia. - : Elsevier BV. - 1359-6462 .- 1872-8456. ; 202
Tidskriftsartikel (refereegranskat)abstract
- 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.

Träfflista för sökning "id:"swepub:oai:DiVA.org:kth-298670" "