Disordered Materials: I

FOCUS · MAR-G50 · ID: 3103910

Presentations

  • Scaling cluster expansion models to large and challenging composition spaces

    ORAL

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    Presenters

    • Michael J Waters

      Northwestern University

    Authors

    • Michael J Waters

      Northwestern University

    • Nathan C Smith

      Northwestern University

    • Christopher M Wolverton

      Northwestern University

    • James M Rondinelli

      Northwestern University, Northwestern University, Department of Materials Science and Engineering, Department of Material Science and Engineering, Northwestern University

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  • Exploring Sustainable High-Entropy Magnetic Materials Using Active Learning

    ORAL

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    Presenters

    • Timothy Corbett

      Georgetown University

    Authors

    • Timothy Corbett

      Georgetown University

    • dinesh bista

      Georgetown University

    • Willie B Beeson

      Georgetown University

    • Jerome Jackson

      STFC Daresbury Laboratory, Scientific Computing Department, STCF Daresbury Laboratory

    • Amy Y Liu

      Georgetown University

    • Kai Liu

      Georgetown University

    • Gen Yin

      Georgetown University

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  • Atomic Short-Range Order in High-Entropy Alloys: Concentration Waves in the Multicomponent Setting

    ORAL · Invited

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    Publication: 1. C. D. Woodgate, J. B. Staunton, Phys. Rev. B 105, 115124 (2022).
    2. C. D. Woodgate, J. B. Staunton, Phys. Rev. Mater. 7, 013801 (2023).
    3. C. D. Woodgate, D. Hedlund, L. H. Lewis, J. B. Staunton, Phys. Rev. Mater. 7, 053801 (2023).
    4. C. D. Woodgate, J. B. Staunton, J. Appl. Phys. 135, 135106 (2024).
    5. L. Shenoy, C. D. Woodgate, J. B. Staunton, A. P. Bartók, C. S. Becquart, C. Domain, J. R. Kermode, Phys. Rev. Mater. 8, 033804 (2024).
    6. C. D. Woodgate, G. A. Marchant, L. B. Pártay, J. B. Staunton, arXiv:2404.13173.

    Presenters

    • Christopher D Woodgate

      University of Bristol

    Authors

    • Christopher D Woodgate

      University of Bristol

    • Julie B Staunton

      University of Warwick

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  • Short-range order in semiconductor alloys: does it exist or matter?

    ORAL

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    Publication: (1) Cao, B.; Chen, S.; Jin, X.; Liu, J.; Li, T. Short-Range Order in GeSn Alloy. ACS Appl. Mater. Interfaces 2020, 12, 57245–57253. https://doi.org/10.1021/acsami.0c18483.
    (2) Jin, X.; Chen, S.; Li, T. Coexistence of Two Types of Short-Range Order in Si–Ge–Sn Medium-Entropy Alloys. Commun Mater 2022, 3 (1), 66. https://doi.org/10.1038/s43246-022-00289-5.
    (3) Liang, Y.; Chen, S.; Jin, X.; West, D.; Yu, S.-Q.; Li, T.; Zhang, S. Group IV Topological Quantum Alloy and the Role of Short-Range Order: The Case of Ge-Rich Ge1–XPbx. npj Comput. Mater. 2024, 10 (1), 82. https://doi.org/10.1038/s41524-024-01271-0.
    (4) Chen, S.; Jin, X.; Zhao, W.; Li, T. Intricate Short-Range Order in GeSn Alloys Revealed by Atomistic Simulations with Highly Accurate and Efficient Machine-Learning Potentials. Phys. Rev. Mater. 2024, 8 (4), 043805. https://doi.org/10.1103/physrevmaterials.8.043805.
    (5) Liu, S.; et al. Atomistic short-range order in SiGeSn alloys, under review, https://doi.org/10.21203/rs.3.rs-4909892/v1
    (6) Vogl, L,; et al. Identification of short-range order motifs, under review.

    Presenters

    • Tianshu Li

      George Washington University

    Authors

    • Tianshu Li

      George Washington University

    • Shunda Chen

      George Washington University

    • Xiaochen Jin

      George Washington University

    • Lilian Vogl

      University of California, Berkeley

    • Andrew M Minor

      University of California, Berkeley

    • Shang Liu

      Dartmouth College

    • Jifeng Liu

      Dartmouth College

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  • Predicting the Curie temperature of magnetic materials across chemistries and structures

    ORAL

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    Publication: M. A. Brännvall, G. Persson, L. Casillas-Trujillo, R. Armiento, and B. Alling, arXiv preprint arXiv:2406.02084 [cond-mat.mtrl-sci], 2024. Available: https://doi.org/10.48550/arXiv.2406.02084. (accepted for Physical Review Materials)

    Presenters

    • Marian Arale Brännvall

      Linköping University

    Authors

    • Marian Arale Brännvall

      Linköping University

    • Gabriel Rolf Erik Persson

      Linkoping University

    • Luis Casillas Trujillo

      Technische Universität Wien

    • Rickard Armiento

      Linkoping University

    • Björn Alling

      Linköping Univerity, Linköping University

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  • Effects of chemical short-range order on the percolation model of passivation for binary alloys

    ORAL

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    Publication: Roy, A., Sieradzki, K., Rondinelli, J. M., & McCue, I. D. (2024). Effect of chemical short-range order and percolation on passivation in binary alloys. Physical Review B, 110(8), 085420.

    Presenters

    • Abhinav Roy

      Northwestern University

    Authors

    • Abhinav Roy

      Northwestern University

    • Karl Sieradzki

      Arizona State University

    • James M Rondinelli

      Northwestern University, Northwestern University, Department of Materials Science and Engineering, Department of Material Science and Engineering, Northwestern University

    • Ian D McCue

      Northwestern University

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  • Small data-driven study of two-dimensional ordering in rutile oxyfluorides

    ORAL

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    Publication: Nathan, S. S., Puggioni, D., & Rondinelli, J. M. (2024). Peierls-like distortion drives anion ordering in rutile TiOF. Physical Review Materials, 8(5), 054602

    Presenters

    • Siddhartha S Nathan

      Northwestern University

    Authors

    • Siddhartha S Nathan

      Northwestern University

    • James Cumby

      University of Edinburgh

    • James M Rondinelli

      Northwestern University, Northwestern University, Department of Materials Science and Engineering, Department of Material Science and Engineering, Northwestern University

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  • Symmetry-driven sampling of atomic geometries for alloy nanocrystal simulations

    ORAL

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    Presenters

    • Erick I Hernandez Alvarez

      University of Illinois at Urbana-Champaign, University of Illinois Urbana-Champaign

    Authors

    • Erick I Hernandez Alvarez

      University of Illinois at Urbana-Champaign, University of Illinois Urbana-Champaign

    • Andrew M Smith

      University of Illinois Urbana-Champaign

    • Andre Schleife

      University of Illinois at Urbana-Champaign

    View abstract →