Machine Learning‐Enabled Tomographic Imaging of Chemical Short‐Range Atomic Ordering
Advanced Materials, vol. 36, pp. e2407564
Abstract
In solids, chemical short-range order (CSRO) refers to the self-organization of atoms of certain species occupying specific crystal sites. CSRO is increasingly being envisaged as a lever to tailor the mechanical and functional properties of materials. Yet quantitative relationships between properties and the morphology, number density, and atomic configurations of CSRO domains remain elusive. Herein, it is showcased how machine learning-enhanced atom probe tomography (APT) can mine the near-atomically resolved APT data and jointly exploit the technique's high elemental sensitivity to provide a 3D quantitative analysis of CSRO in a CoCrNi medium-entropy alloy. Multiple CSRO configurations are revealed, with their formation supported by state-of-the-art Monte-Carlo simulations. Quantitative analysis of these CSROs allows establishing relationships between processing parameters and physical properties. The unambiguous characterization of CSRO will help refine strategies for designing advanced materials by manipulating atomic-scale architectures.
Authors 18
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Yue Li corresponding
Max-Planck-Institut für Nachhaltige Materialien
Affiliation as printed
Max‐Planck‐Institut für Eisenforschung GmbH Max‐Planck‐Straße 1 40237 Düsseldorf Germany
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Max Planck Computing and Data Facility
Affiliation as printed
Max Planck Computing and Data Facility Gießenbachstraße 2 85748 Garching Germany
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Yilun Gong corresponding
University of Oxford · Max-Planck-Institut für Nachhaltige Materialien
Affiliation as printed
Department of Materials University of Oxford Parks Road Oxford OX1 3PH UK
Max‐Planck‐Institut für Eisenforschung GmbH Max‐Planck‐Straße 1 40237 Düsseldorf Germany
Department of Materials, University of Oxford, Parks Road, Oxford, OX1 3PH UK
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Affiliation as printed
Institute of Physics (IA) RWTH Aachen University 52056 Aachen Germany
Institute of Physics (IA), RWTH Aachen University, 52056 Aachen, Germany
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Affiliation as printed
Institute of Physics (IA) RWTH Aachen University 52056 Aachen Germany
Institute of Physics (IA), RWTH Aachen University, 52056 Aachen, Germany
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École Polytechnique Fédérale de Lausanne
Affiliation as printed
Ecole Polytechnique Fédérale de Lausanne School of Engineering Rte Cantonale Lausanne 1015 Switzerland
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Affiliation as printed
Suzhou Laboratory No.388, Ruoshui Street, SIP Jiangsu 215123 China
Suzhou Laboratory, No.388, Ruoshui Street, SIP, Jiangsu, 215123 China
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Central South University · State Key Laboratory of Powder Metallurgy
Affiliation as printed
State Key Laboratory of Powder Metallurgy Central South University Changsha 410083 China
State Key Laboratory of Powder Metallurgy, Central South University, Changsha, 410083 China
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Max Planck Computing and Data Facility
Affiliation as printed
Max Planck Computing and Data Facility Gießenbachstraße 2 85748 Garching Germany
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Max Planck Computing and Data Facility
Affiliation as printed
Max Planck Computing and Data Facility Gießenbachstraße 2 85748 Garching Germany
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Max-Planck-Institut für Nachhaltige Materialien
Affiliation as printed
Max‐Planck‐Institut für Eisenforschung GmbH Max‐Planck‐Straße 1 40237 Düsseldorf Germany
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Affiliation as printed
New York University New York NY 10012 USA
New York University, New York, NY, 10012 USA
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Affiliation as printed
Institute of Physics (IA) RWTH Aachen University 52056 Aachen Germany
Institute of Physics (IA), RWTH Aachen University, 52056 Aachen, Germany
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Max-Planck-Institut für Nachhaltige Materialien
Affiliation as printed
Max‐Planck‐Institut für Eisenforschung GmbH Max‐Planck‐Straße 1 40237 Düsseldorf Germany
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Federal Institute For Materials Research and Testing · Max-Planck-Institut für Nachhaltige Materialien
Affiliation as printed
Materials Informatics BAM Federal Institute for Materials Research and Testing Richard‐Willstätter‐Str. 11 12489 Berlin Germany
Max‐Planck‐Institut für Eisenforschung GmbH Max‐Planck‐Straße 1 40237 Düsseldorf Germany
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Max-Planck-Institut für Nachhaltige Materialien
Affiliation as printed
Max‐Planck‐Institut für Eisenforschung GmbH Max‐Planck‐Straße 1 40237 Düsseldorf Germany
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Zhangwei Wang corresponding
Central South University · State Key Laboratory of Powder Metallurgy
Affiliation as printed
State Key Laboratory of Powder Metallurgy Central South University Changsha 410083 China
State Key Laboratory of Powder Metallurgy, Central South University, Changsha, 410083 China
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Baptiste Gault corresponding
Max-Planck-Institut für Nachhaltige Materialien · Imperial College London
Affiliation as printed
Department of Materials Imperial College South Kensington London SW7 2AZ UK
Max‐Planck‐Institut für Eisenforschung GmbH Max‐Planck‐Straße 1 40237 Düsseldorf Germany
Department of Materials, Imperial College, South Kensington, London, SW7 2AZ UK
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