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Interdiffusion and thermotransport in Ni–Al liquid alloys


Interdiffusion and thermotransport in Ni–Al liquid alloys

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dc.contributor.author Ahmed, Tanvir pl
dc.contributor.author Wang, William Yi pl
dc.contributor.author Abdank-Kozubski, Rafał [SAP11009423] pl
dc.contributor.author Liu, Zi-Kui pl
dc.contributor.author Belova, Irina V. pl
dc.contributor.author Murch, Graeme E. pl
dc.date.accessioned 2019-02-19T13:19:16Z
dc.date.available 2019-02-19T13:19:16Z
dc.date.issued 2018 pl
dc.identifier.issn 1478-6435 pl
dc.identifier.uri https://ruj.uj.edu.pl/xmlui/handle/item/68747
dc.language eng pl
dc.rights Dodaję tylko opis bibliograficzny *
dc.rights.uri *
dc.title Interdiffusion and thermotransport in Ni–Al liquid alloys pl
dc.type JournalArticle pl
dc.description.physical 2221-2246 pl
dc.abstract.en In this paper, we present extensive self-consistent results of molecular dynamics (MD) simulations of diffusion and thermotransport properties of Ni–Al liquid alloys. We develop a new formalism that allows easy connection between results of the MD simulations and the real experiments. In addition, this formalism can be extended to the case of ternary and higher component liquid alloys. We focus on the temperature and composition dependence of the self-diffusion coefficients, interdiffusion coefficients, thermodynamic factor, Manning factor and the reduced heat of transport. The two latter quantities both represent measures of the off-diagonal Onsager phenomenological coefficients. The Manning factor and the reduced heat of transport can be related to experimentally obtainable quantities provided the thermodynamic factor is available. The simulation results for the reduced heat of transport show that for all compositions, in the presence of a temperature gradient, Ni tends to migrate to the cold end. This is in agreement with an available experimental study for a Ni21.5Al78.5 melt (only qualitative result is available so far). pl
dc.subject.en diffusion coefficients pl
dc.subject.en partial enthalpies pl
dc.subject.en thermotransport pl
dc.subject.en molecular dynamics pl
dc.subject.en Green–Kubo pl
dc.subject.en Ni–Al liquid pl
dc.description.volume 98 pl
dc.description.number 24 pl
dc.identifier.doi 10.1080/14786435.2018.1479077 pl
dc.identifier.eissn 1478-6443 pl
dc.title.journal Philosophical Magazine pl
dc.language.container eng pl
dc.affiliation Wydział Fizyki, Astronomii i Informatyki Stosowanej : Instytut Fizyki im. Mariana Smoluchowskiego pl
dc.subtype Article pl
dc.rights.original bez licencji pl
dc.identifier.project ROD UJ / O pl
.pointsMNiSW [2018 A]: 30

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