Repozytorium Uniwersytetu Jagiellońskiego

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

Thermotransport in binary system : case study on ...

Metadane (Dublin Core) Evteev, Alexander V. pl Levchenko, Elena V. pl Belova, Irina V. pl Abdank-Kozubski, Rafał [SAP11009423] pl Liu, Zi-Kui pl Murch, Graeme E. pl 2015-05-20T12:43:41Z 2015-05-20T12:43:41Z 2014 pl
dc.identifier.issn 1478-6435 pl
dc.language eng pl
dc.rights Dodaję tylko opis bibliograficzny *
dc.rights.uri *
dc.title Thermotransport in binary system : case study on Ni_{50}Al_{50} melt pl
dc.type JournalArticle pl
dc.description.physical 3574-3602 pl
dc.abstract.en The 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.subject.en thermotransport pl
dc.subject.en heat of transport pl
dc.subject.en molecular dynamics pl
dc.subject.en Green–Kubo method pl
dc.subject.en liquid alloy pl
dc.subject.en Ni–Al system pl
dc.description.volume 94 pl
dc.description.number 31 pl
dc.description.publication 2 pl
dc.identifier.doi 10.1080/14786435.2014.965236 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
.pointsMNiSW [2014 A]: 25

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