Thermal Transport through Defects in Rutile with Atomic Resolution STEM-EELS
Rattachement africain : se, gb, us. Niveau de preuve : code pays fourni par la source.
Le résumé fourni par la source
Scanning transmission electron microscopy (STEM) with electron energy-loss spectroscopy (EELS) has been used routinely to study the chemical composition of samples with atomic precision for long time. In 2014 monochromation with full-width half-maximum below 10 meV in a modern aberration corrected setup has been reported [1]. Since then, the vibrations in materials are directly being studied with subatomic resolution [2-4]. Among others, this offers direct insights into the heat transfer mechanisms in materials on the atomic scale. Here we present our study of system of rutile (TiO2) with a planar defect. We report a direct local measurement of vibrational states across the defect, offering comprehensive methodology for studying of thermal transport across defects. The experimental results are complemented by extensive simulations of vibrational STEM-EELS using the Time Auto-Correlation of Auxiliary Wavefunction (TACAW) method [5], featuring our new computation engine Torched-TACAW. Through high energy resolution EELS, we comprehensively capture the energy-spectrum of vibrations. By utilizing an off-axis detector geometry, we selectively capture vibration modes with specific polarization vectors [6-8], allowing direct visualization of vibrational modes at the nanoscale. These measurements provide critical insights into heat transport mechanisms across crystallographic defects. Further understanding is developed by presented simulations based on the TACAW method. Presented theoretical results were obtained using machine-learned interatomic potential Orb2 [9] and our new simulation engine Torched-TACAW, which offers user-friendly and fast implementation of the TACAW method with (optional) GPU acceleration. Our integrated experimental and theoretical approach reveals the intricate thermal transport mechanisms in rutile, establishing a robust framework for investigating vibrational dynamics in defected and heterogeneous material systems. By combining high-resolution STEM-EELS with advanced computational modeling, we demonstrate a powerful methodology for understanding thermal properties at the nanoscale.
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Le contrôle bibliographique ouvert
DOI retrouvé dans Crossref DOI retrouvé ; titre concordant.
- Titre Crossref
- Thermal Transport through Defects in Rutile with Atomic Resolution STEM-EELS
- Date Crossref
- 01/07/2026
- Éditeur
- Oxford University Press (OUP)
- Type
- journal-article
Ce recoupement confirme des métadonnées liées au DOI. Il ne confirme ni la méthode ni les conclusions de l’étude, et il ne compte pas comme une seconde source scientifique indépendante.
Où se fait cette recherche
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Uppsala University Department of Physics and Astronomy pays non établi dans la noticeUniversité ou école supérieure
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University of Leeds pays non établi dans la noticeUniversité ou école supérieure
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Sci-Tech Daresbury pays non établi dans la noticeStructure de recherche
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Science City York (United Kingdom) pays non établi dans la noticeEntreprise
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University of York JEOL NanoCentre pays non établi dans la noticeUniversité ou école supérieure
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University of Washington Department of Materials Science & Engineering pays non établi dans la noticeUniversité ou école supérieure
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School of Chemical and Process Engineering pays non établi dans la noticeUniversité ou école supérieure
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SuperSTEM Laboratory pays non établi dans la noticeStructure de recherche
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School of Physics pays non établi dans la noticeUniversité ou école supérieure
Department of Physics and Astronomy — Uppsala University, University of Leeds et Sci-Tech Daresbury, avec 6 autres affiliations.
Une affiliation ne permet pas de déduire la nationalité d’un auteur.