Machine learning-enabled tomographic imaging of chemical short-range atomic ordering
Abstract
In solids, chemical short-range order (CSRO) refers to the self-organisation 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, we showcase 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. We reveal multiple CSRO configurations, with their formation supported by state-of-the-art Monte-Carlo simulations. Quantitative analysis of these CSROs allows us to establish 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 16
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Max-Planck-Institut für Nachhaltige Materialien
Affiliation as printed
Max-Planck Institut für Eisenforschung GmbH , Max-Planck-Straße 1 , Düsseldorf , 40237 , Germany
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Max Planck Computing and Data Facility
Affiliation as printed
Max Planck Computing and Data Facility , Gießenbachstraße 2 , Garching , 85748 , Germany
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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 , Düsseldorf , 40237 , Germany
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Affiliation as printed
Institute of Physics (IA) , RWTH Aachen University , Aachen , 52056 , Germany
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Affiliation as printed
Institute of Physics (IA) , RWTH Aachen University , Aachen , 52056 , Germany
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Swiss Polar Institute · École Polytechnique Fédérale de Lausanne
Affiliation as printed
Ecole Polytechnique Fédérale de Lausanne , School of engineering , Rte Cantonale , 1015 Lausanne , Switzerland
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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
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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
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Max Planck Computing and Data Facility
Affiliation as printed
Max Planck Computing and Data Facility , Gießenbachstraße 2 , Garching , 85748 , Germany
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Max Planck Computing and Data Facility
Affiliation as printed
Max Planck Computing and Data Facility , Gießenbachstraße 2 , Garching , 85748 , Germany
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Max-Planck-Institut für Nachhaltige Materialien
Affiliation as printed
Max-Planck Institut für Eisenforschung GmbH , Max-Planck-Straße 1 , Düsseldorf , 40237 , Germany
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Affiliation as printed
New York University , New York , NY10012 , United States
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Affiliation as printed
Institute of Physics (IA) , RWTH Aachen University , Aachen , 52056 , Germany
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Max-Planck-Institut für Nachhaltige Materialien
Affiliation as printed
Max-Planck Institut für Eisenforschung GmbH , Max-Planck-Straße 1 , Düsseldorf , 40237 , Germany
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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
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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 , Düsseldorf , 40237 , Germany
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