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Quantitative three-dimensional imaging of chemical short-range order via machine learning enhanced atom probe tomography

Author

Listed:
  • Yue Li

    (Max-Planck Institut für Eisenforschung GmbH)

  • Ye Wei

    (Max-Planck Institut für Eisenforschung GmbH)

  • Zhangwei Wang

    (Central South University)

  • Xiaochun Liu

    (Changsha University of Science and Technology)

  • Timoteo Colnaghi

    (Max Planck Computing and Data Facility)

  • Liuliu Han

    (Max-Planck Institut für Eisenforschung GmbH)

  • Ziyuan Rao

    (Max-Planck Institut für Eisenforschung GmbH)

  • Xuyang Zhou

    (Max-Planck Institut für Eisenforschung GmbH)

  • Liam Huber

    (Max-Planck Institut für Eisenforschung GmbH)

  • Raynol Dsouza

    (Max-Planck Institut für Eisenforschung GmbH)

  • Yilun Gong

    (Max-Planck Institut für Eisenforschung GmbH)

  • Jörg Neugebauer

    (Max-Planck Institut für Eisenforschung GmbH)

  • Andreas Marek

    (Max Planck Computing and Data Facility)

  • Markus Rampp

    (Max Planck Computing and Data Facility)

  • Stefan Bauer

    (Max Planck Institute for Intelligent Systems)

  • Hongxiang Li

    (University of Science and Technology Beijing)

  • Ian Baker

    (Dartmouth College)

  • Leigh T. Stephenson

    (Max-Planck Institut für Eisenforschung GmbH)

  • Baptiste Gault

    (Max-Planck Institut für Eisenforschung GmbH
    Imperial College, South Kensington)

Abstract

Chemical short-range order (CSRO) refers to atoms of specific elements self-organising within a disordered crystalline matrix to form particular atomic neighbourhoods. CSRO is typically characterized indirectly, using volume-averaged or through projection microscopy techniques that fail to capture the three-dimensional atomistic architectures. Here, we present a machine-learning enhanced approach to break the inherent resolution limits of atom probe tomography enabling three-dimensional imaging of multiple CSROs. We showcase our approach by addressing a long-standing question encountered in body-centred-cubic Fe-Al alloys that see anomalous property changes upon heat treatment. We use it to evidence non-statistical B2-CSRO instead of the generally-expected D03-CSRO. We introduce quantitative correlations among annealing temperature, CSRO, and nano-hardness and electrical resistivity. Our approach is further validated on modified D03-CSRO detected in Fe-Ga. The proposed strategy can be generally employed to investigate short/medium/long-range ordering phenomena in different materials and help design future high-performance materials.

Suggested Citation

  • Yue Li & Ye Wei & Zhangwei Wang & Xiaochun Liu & Timoteo Colnaghi & Liuliu Han & Ziyuan Rao & Xuyang Zhou & Liam Huber & Raynol Dsouza & Yilun Gong & Jörg Neugebauer & Andreas Marek & Markus Rampp & S, 2023. "Quantitative three-dimensional imaging of chemical short-range order via machine learning enhanced atom probe tomography," Nature Communications, Nature, vol. 14(1), pages 1-11, December.
  • Handle: RePEc:nat:natcom:v:14:y:2023:i:1:d:10.1038_s41467-023-43314-y
    DOI: 10.1038/s41467-023-43314-y
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    References listed on IDEAS

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    1. Sheng Yin & Yunxing Zuo & Anas Abu-Odeh & Hui Zheng & Xiang-Guo Li & Jun Ding & Shyue Ping Ong & Mark Asta & Robert O. Ritchie, 2021. "Atomistic simulations of dislocation mobility in refractory high-entropy alloys and the effect of chemical short-range order," Nature Communications, Nature, vol. 12(1), pages 1-14, December.
    2. Ruopeng Zhang & Shiteng Zhao & Jun Ding & Yan Chong & Tao Jia & Colin Ophus & Mark Asta & Robert O. Ritchie & Andrew M. Minor, 2020. "Short-range order and its impact on the CrCoNi medium-entropy alloy," Nature, Nature, vol. 581(7808), pages 283-287, May.
    3. Phillip Dumitraschkewitz & Peter J. Uggowitzer & Stephan S. A. Gerstl & Jörg F. Löffler & Stefan Pogatscher, 2019. "Size-dependent diffusion controls natural aging in aluminium alloys," Nature Communications, Nature, vol. 10(1), pages 1-6, December.
    4. Xuefei Chen & Qi Wang & Zhiying Cheng & Mingliu Zhu & Hao Zhou & Ping Jiang & Lingling Zhou & Qiqi Xue & Fuping Yuan & Jing Zhu & Xiaolei Wu & En Ma, 2021. "Direct observation of chemical short-range order in a medium-entropy alloy," Nature, Nature, vol. 592(7856), pages 712-716, April.
    5. Haw-Wen Hsiao & Rui Feng & Haoyang Ni & Ke An & Jonathan D. Poplawsky & Peter K. Liaw & Jian-Min Zuo, 2022. "Data-driven electron-diffraction approach reveals local short-range ordering in CrCoNi with ordering effects," Nature Communications, Nature, vol. 13(1), pages 1-9, December.
    6. Qingqing Ding & Yin Zhang & Xiao Chen & Xiaoqian Fu & Dengke Chen & Sijing Chen & Lin Gu & Fei Wei & Hongbin Bei & Yanfei Gao & Minru Wen & Jixue Li & Ze Zhang & Ting Zhu & Robert O. Ritchie & Qian Yu, 2019. "Tuning element distribution, structure and properties by composition in high-entropy alloys," Nature, Nature, vol. 574(7777), pages 223-227, October.
    7. Michael P. Moody & Anna V. Ceguerra & Andrew J. Breen & Xiang Yuan Cui & Baptiste Gault & Leigh T. Stephenson & Ross K. W. Marceau & Rebecca C. Powles & Simon P. Ringer, 2014. "Atomically resolved tomography to directly inform simulations for structure–property relationships," Nature Communications, Nature, vol. 5(1), pages 1-10, December.
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    1. Ying Han & Hangman Chen & Yongwen Sun & Jian Liu & Shaolou Wei & Bijun Xie & Zhiyu Zhang & Yingxin Zhu & Meng Li & Judith Yang & Wen Chen & Penghui Cao & Yang Yang, 2024. "Ubiquitous short-range order in multi-principal element alloys," Nature Communications, Nature, vol. 15(1), pages 1-13, December.

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