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Search: WFRF:(Korzhavyi Pavel A. 1966 ) > (2020-2024) > Effects of Zn and M...

LIBRIS Formathandbok  (Information om MARC21)
FältnamnIndikatorerMetadata
00002770naa a2200397 4500
001oai:DiVA.org:kth-294018
003SwePub
008210507s2021 | |||||||||||000 ||eng|
024a https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-2940182 URI
024a https://doi.org/10.3390/met110406312 DOI
040 a (SwePub)kth
041 a engb eng
042 9 SwePub
072 7a ref2 swepub-contenttype
072 7a art2 swepub-publicationtype
100a Kuznetsov, Andreyu RAS, Ural Branch, Inst Met Phys, Ekaterinburg 620108, Russia.4 aut
2451 0a Effects of Zn and Mg Segregations on the Grain Boundary Sliding and Cohesion in Al :b Ab Initio Modeling
264 c 2021-04-13
264 1b MDPI,c 2021
338 a print2 rdacarrier
500 a QC 20210507
520 a The formation of Zn and Mg segregations at a tilt sigma 5{013} grain boundary (GB) in Al and the effects of these solutes on deformation behavior of polycrystalline Al were investigated using ab initio total energy calculations. Using a step-by-step modeling of the segregation process, we found that the formation of a thick segregation layer of Zn at the GB is energetically preferable, while the formation of an atomically thin segregation layer is expected in the case of Mg. To reveal the effect of segregation on the cohesive properties of Al GBs, we calculated the energy of cleavage decohesion and the shear resistance for GB sliding. We show that the segregation of Zn results in a substantial decrease in barriers for GB sliding, while the segregation of Mg increases the barriers. The results obtained allow us to explain experimental findings and demonstrate a strong relationship between chemical bonding of solute atoms, their segregation ability, and GB strength.
650 7a NATURVETENSKAPx Fysikx Den kondenserade materiens fysik0 (SwePub)103042 hsv//swe
650 7a NATURAL SCIENCESx Physical Sciencesx Condensed Matter Physics0 (SwePub)103042 hsv//eng
653 a aluminum alloys
653 a grain boundary segregation
653 a first principles calculation
700a Karkina, Lidiau RAS, Ural Branch, Inst Met Phys, Ekaterinburg 620108, Russia.4 aut
700a Gornostyrev, Yuriu RAS, Ural Branch, Inst Met Phys, Ekaterinburg 620108, Russia.4 aut
700a Korzhavyi, Pavel A.,d 1966-u KTH,Egenskaper4 aut0 (Swepub:kth)u17nfa0i
710a RAS, Ural Branch, Inst Met Phys, Ekaterinburg 620108, Russia.b Egenskaper4 org
773t Metalsd : MDPIg 11:4q 11:4x 2075-4701
856u https://doi.org/10.3390/met11040631y Fulltext
856u https://www.mdpi.com/2075-4701/11/4/631/pdf
8564 8u https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-294018
8564 8u https://doi.org/10.3390/met11040631

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