Thermotransport in binary system : case study on Ni_{50}Al_{50} melt

2014
journal article
article
cris.lastimport.scopus2024-04-07T17:04:19Z
dc.abstract.enThe formalism of thermotransport in a binary system is analysed. Focus is put on a detailed consideration of the heat of transport parameter characterizing diffusion driven by a temperature gradient. We introduce the reduced heat of transport parameter Q_{c}^{{*}'} , which characterizes part of the interdiffusion flux that is proportional to the temperature gradient. In an isothermal system Q_{c}^{{*}'} represents the reduced heat flow (pure heat conduction) consequent upon unit interdiffusion flux. It is demonstrated that Q_{c}^{{*}'} is independent of reference frame and is useful in a practical way for direct comparison of simulation and experimental data from different sources obtained in different reference frames. In the case study of the liquid Ni_{50}Al_{50} alloy, we use equilibrium molecular dynamics simulations in conjunction with the Green–Kubo formalism to evaluate the heat transport properties of the model within the temperature range of 1500–4000 K. Our results predict that in the presence of a temperature gradient Ni tends to diffuse from the cold end to the hot end whilst Al tends to diffuse from the hot end to the cold end.pl
dc.affiliationWydział Fizyki, Astronomii i Informatyki Stosowanej : Instytut Fizyki im. Mariana Smoluchowskiegopl
dc.contributor.authorEvteev, Alexander V.pl
dc.contributor.authorLevchenko, Elena V.pl
dc.contributor.authorBelova, Irina V.pl
dc.contributor.authorAbdank-Kozubski, Rafał - 102263 pl
dc.contributor.authorLiu, Zi-Kuipl
dc.contributor.authorMurch, Graeme E.pl
dc.date.accessioned2015-05-20T12:43:41Z
dc.date.available2015-05-20T12:43:41Z
dc.date.issued2014pl
dc.description.number31pl
dc.description.physical3574-3602pl
dc.description.publication2pl
dc.description.volume94pl
dc.identifier.doi10.1080/14786435.2014.965236pl
dc.identifier.eissn1478-6443pl
dc.identifier.issn1478-6435pl
dc.identifier.urihttp://ruj.uj.edu.pl/xmlui/handle/item/7581
dc.languageengpl
dc.language.containerengpl
dc.rightsDodaję tylko opis bibliograficzny*
dc.rights.licencebez licencji
dc.rights.uri*
dc.subject.enthermotransportpl
dc.subject.enheat of transportpl
dc.subject.enmolecular dynamicspl
dc.subject.enGreen–Kubo methodpl
dc.subject.enliquid alloypl
dc.subject.enNi–Al systempl
dc.subtypeArticlepl
dc.titleThermotransport in binary system : case study on Ni_{50}Al_{50} meltpl
dc.title.journalPhilosophical Magazinepl
dc.typeJournalArticlepl
dspace.entity.typePublication
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