Empirische Inferenz Article 2023

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

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.

Author(s): Li, Yue; Wei, Ye; Wang, Zhangwei; Liu, Xiaochun; Colnaghi, Timoteo; Han, Liuliu; Rao, Ziyuan; Zhou, Xuyang; Huber, Liam; Dsouza, Raynol; Gong, Yilun; Neugebauer, Joerg; Marek, Andreas; Rampp, Markus; Bauer, Stefan; Li, Hongxiang; Baker, Ian; Stephenson, Leigh T.; Gault, Baptiste
Journal: Nature Communications
Volume: 14
Pages: 7410
Year: 2023
Bibtex Type: Article (article)
DOI: 10.1038/s41467-023-43314-y
State: Published
URL: https://www.nature.com/articles/s41467-023-43314-y
Digital: True

BibTex

@article{BauerNatureComm23,
  title = {Quantitative three-dimensional imaging of chemical short-range order via machine learning enhanced atom probe tomography},
  journal = {Nature Communications},
  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.},
  volume = {14},
  pages = {7410},
  year = {2023},
  slug = {bauernaturecomm23},
  author = {},
  url = {https://www.nature.com/articles/s41467-023-43314-y}
}