Modeling of Gibbs energies of pure elements down to 0K using segmented regression

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dc.contributor.authorRoslyakova, Irina
dc.contributor.authorSundmann, Bo
dc.contributor.authorDette, Holger
dc.contributor.authorZhang, Lijun
dc.contributor.authorSteinbach, Ingo
dc.date.accessioned2016-07-04T08:51:14Z
dc.date.available2016-07-04T08:51:14Z
dc.date.issued2016
dc.description.abstractA novel thermodynamic modeling strategy of stable solid alloy phases is proposed based on segmented regression approach. The model considers several physical effects (e.g. electronic, vibrational etc.) and is valid from 0K up to the melting temperature. The preceding approach has been applied for several pure elements. Results show good agreement with experimental data at low and high temperatures. Since it is not a first attempt to propose a "universal" physical-based model down to 0K for the pure elements as an alternative to current SGTE description, we also compare the results to existing models. Analysis of the obtained results shows that the newly proposed model delivers more accurate description down to 0K for all studied pure elements according to several statistical tests.en
dc.identifier.urihttp://hdl.handle.net/2003/35130
dc.identifier.urihttp://dx.doi.org/10.17877/DE290R-17177
dc.language.isoende
dc.relation.ispartofseriesDiscussion Paper / SFB823;34, 2016en
dc.subject.ddc310
dc.subject.ddc330
dc.subject.ddc620
dc.subject.rswkRegressionsmodellde
dc.subject.rswkThermodynamische Eigenschaftde
dc.subject.rswkChromde
dc.subject.rswkEisende
dc.subject.rswkAluminiumde
dc.titleModeling of Gibbs energies of pure elements down to 0K using segmented regressionen
dc.typeTextde
dc.type.publicationtypeworkingPaperde
dcterms.accessRightsopen access

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