Discovery of a Low Thermal Conductivity Oxide Guided by Probe Structure Prediction and Machine Learning Article Swipe
Christopher M. Collins
,
Luke M. Daniels
,
Quinn Gibson
,
Michael W. Gaultois
,
Michael D. Moran
,
Richard Feetham
,
Michael J. Pitcher
,
Matthew S. Dyer
,
C. Delacotte
,
Marco Zanella
,
Claire A. Murray
,
Györgyi Glodán
,
Olivier Pérez
,
D. Pelloquin
,
Troy D. Manning
,
Jonathan Alaria
,
George R. Darling
,
John B. Claridge
,
Matthew J. Rosseinsky
·
YOU?
·
· 2021
· Open Access
·
· DOI: https://doi.org/10.1002/anie.202102073
YOU?
·
· 2021
· Open Access
·
· DOI: https://doi.org/10.1002/anie.202102073
We report the aperiodic titanate Ba 10 Y 6 Ti 4 O 27 with a room‐temperature thermal conductivity that equals the lowest reported for an oxide. The structure is characterised by discontinuous occupancy modulation of each of the sites and can be considered as a quasicrystal. The resulting localisation of lattice vibrations suppresses phonon transport of heat. This new lead material for low‐thermal‐conductivity oxides is metastable and located within a quaternary phase field that has been previously explored. Its isolation thus requires a precisely defined synthetic protocol. The necessary narrowing of the search space for experimental investigation was achieved by evaluation of titanate crystal chemistry, prediction of unexplored structural motifs that would favour synthetically accessible new compositions, and assessment of their properties with machine‐learning models.
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- Type
- article
- Language
- en
- Landing Page
- https://doi.org/10.1002/anie.202102073
- https://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/anie.202102073
- OA Status
- hybrid
- Cited By
- 30
- References
- 60
- Related Works
- 10
- OpenAlex ID
- https://openalex.org/W3157458282
All OpenAlex metadata
Raw OpenAlex JSON
- OpenAlex ID
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https://openalex.org/W3157458282Canonical identifier for this work in OpenAlex
- DOI
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https://doi.org/10.1002/anie.202102073Digital Object Identifier
- Title
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Discovery of a Low Thermal Conductivity Oxide Guided by Probe Structure Prediction and Machine LearningWork title
- Type
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articleOpenAlex work type
- Language
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enPrimary language
- Publication year
-
2021Year of publication
- Publication date
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2021-05-06Full publication date if available
- Authors
-
Christopher M. Collins, Luke M. Daniels, Quinn Gibson, Michael W. Gaultois, Michael D. Moran, Richard Feetham, Michael J. Pitcher, Matthew S. Dyer, C. Delacotte, Marco Zanella, Claire A. Murray, Györgyi Glodán, Olivier Pérez, D. Pelloquin, Troy D. Manning, Jonathan Alaria, George R. Darling, John B. Claridge, Matthew J. RosseinskyList of authors in order
- Landing page
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https://doi.org/10.1002/anie.202102073Publisher landing page
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https://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/anie.202102073Direct link to full text PDF
- Open access
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YesWhether a free full text is available
- OA status
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hybridOpen access status per OpenAlex
- OA URL
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https://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/anie.202102073Direct OA link when available
- Concepts
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Thermal conductivity, Artificial intelligence, Oxide, Materials science, Machine learning, Computer science, Composite material, MetallurgyTop concepts (fields/topics) attached by OpenAlex
- Cited by
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30Total citation count in OpenAlex
- Citations by year (recent)
-
2025: 4, 2024: 11, 2023: 8, 2022: 5, 2021: 2Per-year citation counts (last 5 years)
- References (count)
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60Number of works referenced by this work
- Related works (count)
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10Other works algorithmically related by OpenAlex
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