14–15 Apr 2021
Virtually
Europe/Berlin timezone

Design of high-entropy Invar alloys via machine learning (12 min talk + 3 min discussion)

14 Apr 2021, 14:45
15m
Virtually

Virtually

Talk Session I

Speaker

Ziyuan Rao (max-planck-institut für eisenforschung gmbh)

Description

Invar alloys exhibit a very low thermal expansion coefficient (TEC) below 2×10−6 K−1 around room temperature. There is a strong impetus to design novel Invar alloys with better physical, mechanical and chemical properties. Here, we develop and apply an active learning strategy to accelerate the design of novel Invar alloys in a practically infinite compositional space of quaternary and quinary high-entropy alloys (HEAs).It is demonstrated that this strategy is of great potential to accelerate the discovery of novel functional materials, especially for those with large unexplored phase space such as compositions, crystal structures, and microstructures.

Primary authors

Ziyuan Rao (max-planck-institut für eisenforschung gmbh) Ye Wei (Max Planck institute for iron research) Mr Po-Yen Tung (Max-Planck-Institut für Eisenforschung GmbH) Dr Stefan Bauer (Max-Planck-Institut für Intelligente Systeme) Dr Ruiwen Xie (Technische Universität Darmstadt) Prof. Hongbin Zhang (Technische Universität Darmstadt) Dr Fritz Körmann (Max-Planck-Institut für Eisenforschung GmbH) Mr Prithiv Sukumar (Max-Planck-Institut für Eisenforschung GmbH) Dr Alisson da Silva (Max-Planck-Institut für Eisenforschung GmbH) Prof. Zhiming Li (Max-Planck-Institut für Eisenforschung GmbH) Dr Dirk Ponge (Max-Planck-Institut für Eisenforschung GmbH) Prof. Baptiste Gault (Max-Planck-Institut für Eisenforschung GmbH) Prof. Jörg Neugebauer (Max-Planck-Institut für Eisenforschung GmbH) Prof. Oliver Gutfleisch (Technische Universität Darmstadt) Prof. Dierk Raabe (Max-Planck-Institut für Eisenforschung GmbH)

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