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Site preference and lattice relaxation around 4d and 5d refractory elements in Ni3Al
dc.creator | Umićević, Ana | |
dc.creator | Mahnke, Heinz-Eberhard | |
dc.creator | Belošević-Čavor, Jelena | |
dc.creator | Cekić, Božidar Đ. | |
dc.creator | Schumacher, Gerhard | |
dc.creator | Mađarević, Ivan | |
dc.creator | Koteski, Vasil J. | |
dc.date.accessioned | 2018-03-03T15:00:07Z | |
dc.date.available | 2018-03-03T15:00:07Z | |
dc.date.issued | 2016 | |
dc.identifier.issn | 1600-5775 | |
dc.identifier.uri | https://vinar.vin.bg.ac.rs/handle/123456789/7091 | |
dc.description.abstract | X-ray absorption spectroscopy is employed to investigate site preference and lattice relaxation around Mo, Ru, Hf, W and Re dopants in Ni3Al. The site occupation preference and the measured distances between the refractory elements as dopants and the nearest host atoms are compared with the results of ab initio calculations within the density functional theory. Combined experimental and theoretical results indicate that Mo, Hf, W and Re atoms reside on the Al sublattice in Ni3Al, while Ru atoms occupy the Ni sublattice. A more pronounced lattice relaxation was detected in the case of Hf and Ru doping, with a strong outward relaxation of the nearest Ni and Al atoms. | en |
dc.relation | info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/171001/RS// | |
dc.rights | openAccess | en |
dc.source | Journal of Synchrotron Radiation | en |
dc.subject | extended X-ray absorption fine structure (EXAFS) | en |
dc.subject | ab initio calculations | en |
dc.subject | nickel superalloys | en |
dc.subject | site preference | en |
dc.title | Site preference and lattice relaxation around 4d and 5d refractory elements in Ni3Al | en |
dc.type | article | en |
dcterms.abstract | Цекиц, Бозидар; Белошевић-Чавор Јелена; Мадаревић Иван; Котески Васил Ј.; Махнке, Хеинз-Еберхард; Сцхумацхер, Герхард; Умићевић, Aна; | |
dc.citation.volume | 23 | |
dc.citation.spage | 286 | |
dc.citation.epage | 292 | |
dc.identifier.wos | 000367548900039 | |
dc.identifier.doi | 10.1107/S1600577515020688 | |
dc.citation.other | Part number: 1 | |
dc.citation.rank | M21 | |
dc.identifier.pmid | 26698076 | |
dc.description.other | 2nd Workshop on FEL Photon Diagnostics, Instrumentation and Beamlines Design (PhotonDiag), Jun 08-10, 2015, Int Ctr Theoretical Phys, Trieste, Italy | en |
dc.type.version | publishedVersion | |
dc.identifier.scopus | 2-s2.0-84952815096 |
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