<div class="csl-bib-body">
<div class="csl-entry">Kirschner, J., Mayr-Schmölzer, W., Bernardi, J., Gaschl, R., Schwarz, S., Simson, C., Vonbun-Feldbauer, G. B., & Eisenmenger-Sittner, C. (2022). Characterization of an Al-Cu-Mg-Zn multi principal element alloy by experimental and computational screening methods. <i>Acta Materialia</i>, <i>224</i>(117510), 117510. https://doi.org/10.1016/j.actamat.2021.117510</div>
</div>
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dc.identifier.issn
1359-6454
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dc.identifier.uri
http://hdl.handle.net/20.500.12708/136676
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dc.description.abstract
We present a combined experimental and computational investigation of phase stability and mechanical properties in the Al-Cu-Mg-Zn quaternary system. Samples containing different relative compositions were prepared using magnetron sputtering and investigated by electron microscopic and X-ray based methods. To classify the technical relevance of the samples, the indentation hardness was measured. The phase stability was studied computationally using a cluster expansion approach based on density functional theory (DFT) methods in a comprehensive screening of the structural and stoichiometric configuration space. Upon decreasing Cu concentration, a transition from an FCC to a mixed FCC/BCC crystal system and significant changes in the mechanical properties depending on Valence Electron Concentration (VEC) and atomic size differences () was observed experimentally. The corresponding crystallographic phases were assigned by XRD and the experimentally observed phase transition was confirmed by the computational screening of formation energies. Since to date, quaternary complex light metal alloy systems cannot be reliably predicted, this is an important step towards a priori modelling of this class of materials.
en
dc.language.iso
en
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dc.relation.ispartof
Acta Materialia
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dc.subject
Electronic, Optical and Magnetic Materials
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dc.subject
Ceramics and Composites
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dc.subject
Metals and Alloys
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dc.subject
Polymers and Plastics
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dc.title
Characterization of an Al-Cu-Mg-Zn multi principal element alloy by experimental and computational screening methods
en
dc.type
Artikel
de
dc.type
Article
en
dc.description.startpage
117510
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dc.type.category
Original Research Article
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tuw.container.volume
224
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tuw.container.issue
117510
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tuw.journal.peerreviewed
true
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tuw.peerreviewed
true
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wb.publication.intCoWork
International Co-publication
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tuw.researchTopic.id
M1
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tuw.researchTopic.id
M2
-
tuw.researchTopic.id
M7
-
tuw.researchTopic.name
Surfaces and Interfaces
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tuw.researchTopic.name
Materials Characterization
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tuw.researchTopic.name
Special and Engineering Materials
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tuw.researchTopic.value
20
-
tuw.researchTopic.value
40
-
tuw.researchTopic.value
40
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dcterms.isPartOf.title
Acta Materialia
-
tuw.publication.orgunit
E057-02 - Fachbereich Universitäre Serviceeinrichtung für Transmissions- Elektronenmikroskopie
-
tuw.publication.orgunit
E138-03 - Forschungsbereich Functional and Magnetic Materials
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tuw.publisher.doi
10.1016/j.actamat.2021.117510
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dc.identifier.eissn
1873-2453
-
dc.description.numberOfPages
11
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tuw.author.orcid
0000-0002-6425-2958
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tuw.author.orcid
0000-0003-4834-9458
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wb.sci
true
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wb.sciencebranch
Physik, Astronomie
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wb.sciencebranch
Chemie
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wb.sciencebranch.oefos
1030
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wb.sciencebranch.oefos
1040
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item.fulltext
no Fulltext
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item.languageiso639-1
en
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item.openairecristype
http://purl.org/coar/resource_type/c_2df8fbb1
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item.openairetype
research article
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item.grantfulltext
none
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item.cerifentitytype
Publications
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crisitem.author.dept
E057-02 - Fachbereich Universitäre Serviceeinrichtung für Transmissions- Elektronenmikroskopie
-
crisitem.author.dept
E057-02 - Fachbereich Universitäre Serviceeinrichtung für Transmissions- Elektronenmikroskopie
-
crisitem.author.dept
E057-02 - Fachbereich Universitäre Serviceeinrichtung für Transmissions- Elektronenmikroskopie
-
crisitem.author.dept
E302-02 - Forschungsbereich Strömungsmaschinen
-
crisitem.author.dept
E057-02 - Fachbereich Universitäre Serviceeinrichtung für Transmissions- Elektronenmikroskopie
-
crisitem.author.dept
E138-03 - Forschungsbereich Functional and Magnetic Materials
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crisitem.author.orcid
0000-0003-4834-9458
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crisitem.author.orcid
0000-0002-4626-9246
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crisitem.author.orcid
0009-0008-9310-2597
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crisitem.author.orcid
0000-0002-7096-6092
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crisitem.author.parentorg
E057 - Facilities und Zentren
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crisitem.author.parentorg
E057 - Facilities und Zentren
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crisitem.author.parentorg
E057 - Facilities und Zentren
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crisitem.author.parentorg
E302 - Institut für Energietechnik und Thermodynamik