Velasco, Leonardo ; Castillo, Juan S. ; Kante, Mohana V. ; Olaya, Jhon J. ; Friederich, Pascal ; Hahn, Horst (2024)
Phase-Property Diagrams for Multicomponent Oxide Systems toward Materials Libraries.
In: Advanced Materials, 2021, 33 (43)
doi: 10.26083/tuprints-00020981
Artikel, Zweitveröffentlichung, Verlagsversion
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Kurzbeschreibung (Abstract)
Exploring the vast compositional space offered by multicomponent systems or high entropy materials using the traditional route of materials discovery, one experiment at a time, is prohibitive in terms of cost and required time. Consequently, the development of high‐throughput experimental methods, aided by machine learning and theoretical predictions will facilitate the search for multicomponent materials in their compositional variety. In this study, high entropy oxides are fabricated and characterized using automated high‐throughput techniques. For intuitive visualization, a graphical phase–property diagram correlating the crystal structure, the chemical composition, and the band gap are introduced. Interpretable machine learning models are trained for automated data analysis and to speed up data comprehension. The establishment of materials libraries of multicomponent systems correlated with their properties (as in the present work), together with machine learning‐based data analysis and theoretical approaches are opening pathways toward virtual development of novel materials for both functional and structural applications.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2024 |
| Autor(en): | Velasco, Leonardo ; Castillo, Juan S. ; Kante, Mohana V. ; Olaya, Jhon J. ; Friederich, Pascal ; Hahn, Horst |
| Art des Eintrags: | Zweitveröffentlichung |
| Titel: | Phase-Property Diagrams for Multicomponent Oxide Systems toward Materials Libraries |
| Sprache: | Englisch |
| Publikationsjahr: | 13 Februar 2024 |
| Ort: | Darmstadt |
| Publikationsdatum der Erstveröffentlichung: | 2021 |
| Ort der Erstveröffentlichung: | Weinheim |
| Verlag: | Wiley-VCH |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Advanced Materials |
| Jahrgang/Volume einer Zeitschrift: | 33 |
| (Heft-)Nummer: | 43 |
| Kollation: | 11 Seiten |
| DOI: | 10.26083/tuprints-00020981 |
| URL / URN: | https://tuprints.ulb.tu-darmstadt.de/20981 |
| Zugehörige Links: | |
| Herkunft: | Zweitveröffentlichung DeepGreen |
| Kurzbeschreibung (Abstract): | Exploring the vast compositional space offered by multicomponent systems or high entropy materials using the traditional route of materials discovery, one experiment at a time, is prohibitive in terms of cost and required time. Consequently, the development of high‐throughput experimental methods, aided by machine learning and theoretical predictions will facilitate the search for multicomponent materials in their compositional variety. In this study, high entropy oxides are fabricated and characterized using automated high‐throughput techniques. For intuitive visualization, a graphical phase–property diagram correlating the crystal structure, the chemical composition, and the band gap are introduced. Interpretable machine learning models are trained for automated data analysis and to speed up data comprehension. The establishment of materials libraries of multicomponent systems correlated with their properties (as in the present work), together with machine learning‐based data analysis and theoretical approaches are opening pathways toward virtual development of novel materials for both functional and structural applications. |
| Freie Schlagworte: | high entropy materials, high‐throughput techniques, machine learning, materials libraries, phase diagram, virtual materials |
| ID-Nummer: | Artikel-ID: 2102301 |
| Status: | Verlagsversion |
| URN: | urn:nbn:de:tuda-tuprints-209813 |
| Sachgruppe der Dewey Dezimalklassifikatin (DDC): | 600 Technik, Medizin, angewandte Wissenschaften > 660 Technische Chemie |
| Fachbereich(e)/-gebiet(e): | 11 Fachbereich Material- und Geowissenschaften 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Gemeinschaftslabor Nanomaterialien |
| Hinterlegungsdatum: | 13 Feb 2024 13:36 |
| Letzte Änderung: | 14 Feb 2024 07:59 |
| PPN: | |
| Zugehörige Links: | |
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| Suche nach Titel in: | TUfind oder in Google |
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- Phase-Property Diagrams for Multicomponent Oxide Systems toward Materials Libraries. (deposited 13 Feb 2024 13:36) [Gegenwärtig angezeigt]
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