Search: WFRF:(Korzhavyi Pavel A. 1966 ) > (2020-2024) > Effects of Zn and M...
Fältnamn | Indikatorer | Metadata |
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000 | 02770naa a2200397 4500 | |
001 | oai:DiVA.org:kth-294018 | |
003 | SwePub | |
008 | 210507s2021 | |||||||||||000 ||eng| | |
024 | 7 | a https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-2940182 URI |
024 | 7 | a https://doi.org/10.3390/met110406312 DOI |
040 | a (SwePub)kth | |
041 | a engb eng | |
042 | 9 SwePub | |
072 | 7 | a ref2 swepub-contenttype |
072 | 7 | a art2 swepub-publicationtype |
100 | 1 | a Kuznetsov, Andreyu RAS, Ural Branch, Inst Met Phys, Ekaterinburg 620108, Russia.4 aut |
245 | 1 0 | a 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 | 1 | b 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 | 7 | a NATURVETENSKAPx Fysikx Den kondenserade materiens fysik0 (SwePub)103042 hsv//swe |
650 | 7 | a 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 | |
700 | 1 | a Karkina, Lidiau RAS, Ural Branch, Inst Met Phys, Ekaterinburg 620108, Russia.4 aut |
700 | 1 | a Gornostyrev, Yuriu RAS, Ural Branch, Inst Met Phys, Ekaterinburg 620108, Russia.4 aut |
700 | 1 | a Korzhavyi, Pavel A.,d 1966-u KTH,Egenskaper4 aut0 (Swepub:kth)u17nfa0i |
710 | 2 | a RAS, Ural Branch, Inst Met Phys, Ekaterinburg 620108, Russia.b Egenskaper4 org |
773 | 0 | t Metalsd : MDPIg 11:4q 11:4x 2075-4701 |
856 | 4 | u https://doi.org/10.3390/met11040631y Fulltext |
856 | 4 | u https://www.mdpi.com/2075-4701/11/4/631/pdf |
856 | 4 8 | u https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-294018 |
856 | 4 8 | u https://doi.org/10.3390/met11040631 |
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