MRS Meetings and Events

 

SF01.04.01 2023 MRS Spring Meeting

High-Throughput Methods Combined with AI for the Development of High-Entropy Materials

When and Where

Apr 12, 2023
8:30am - 9:00am

Marriott Marquis, B2 Level, Golden Gate C2

Presenter

Co-Author(s)

Simon Schweidler1,Leonardo Velasco2,Pascal Friedrich1,Anurag Khandelwal1,Ben Breitung1,Jasmin Aghassi-Hagmann1,Horst Hahn1

Karlsruhe Institute of Technology1,Direccion Academica Universidad Nacional de Colombia Sede de La Paz2

Abstract

Simon Schweidler1,Leonardo Velasco2,Pascal Friedrich1,Anurag Khandelwal1,Ben Breitung1,Jasmin Aghassi-Hagmann1,Horst Hahn1

Karlsruhe Institute of Technology1,Direccion Academica Universidad Nacional de Colombia Sede de La Paz2
High-entropy materials offer a huge research area for new material compositions and potential applications, e.g. in the field of rechargeable batteries, electrochemical catalysis, hydrogen storage or supercapacitors.[1] In particular, the combinatorial complexity of several elements in a single-phase structure, can lead to unexpected and unpredictable material properties, which may affect potential application areas. Exploring the vast compositional space of high-entropy materials in a conventional approach, i.e., one experiment at a time is prohibitive in terms of cost and time. Consequently, the development of high-throughput experimental methods supported by machine learning and theoretical predictions will facilitate the search for multicomponent materials in their compositional diversity.<br/>Therefore, this talk will focus on the establishment of automated high-throughput methodologies in the field of synthesis and characterization of metallic and non-metallic (ceramic) high-entropy materials, enabling the creation of material libraries.[2,3] This facilitates the analysis of material properties in terms of composition or morphological and structural differences. Machine learning-based data analysis and theoretical approaches also provide opportunities for the virtual development of novel materials for both functional and structural applications.<br/><br/><br/>1. Ma, Y.; Ma, Y.; Wang, Q.; Schweidler, S.; Botros, M.; Fu, T.; Hahn, H.; Brezesinski, T.; Breitung, B. High-Entropy Energy Materials: Challenges and New Opportunities. <i>Energy Environ. Sci.</i> <b>2021</b>, 2883–2905, doi:10.1039/d1ee00505g.<br/>2. Velasco, L.; Castillo, J.S.; Kante, M. V.; Olaya, J.J.; Friederich, P.; Hahn, H. Phase–Property Diagrams for Multicomponent Oxide Systems toward Materials Libraries. <i>Adv. Mater.</i> <b>2021</b>, <i>33</i>, doi:10.1002/adma.202102301.<br/>3. Schweidler, S.; Schopmans, H.; Reiser, P.; Boltynjuk, E.; Olaya, J.J.; Singaraju, S.A.; Fischer, F.; Hahn, H.; Friederich, P.; Velasco, L. Synthesis and Characterization of High-Entropy CrMoNbTaVW Thin Films Using High-Throughput Methods. <i>Adv. Eng. Mater.</i> <b>2022</b>, <i>2200870</i>, 1–7, doi:10.1002/adem.202200870.

Keywords

combinatorial | rare-earths

Symposium Organizers

Cecilia Cao, Shanghai University
Peter Liaw, University of Tennessee
Eun Soo Park, Seoul National University
Cem Tasan, Massachusetts Institute of Technology

Publishing Alliance

MRS publishes with Springer Nature