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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).<br>2. C. D. Woodgate, J. B. Staunton, Phys. Rev. Mater. 7, 013801 (2023).<br>3. C. D. Woodgate, D. Hedlund, L. H. Lewis, J. B. Staunton, Phys. Rev. Mater. 7, 053801 (2023).<br>4. C. D. Woodgate, J. B. Staunton, J. Appl. Phys. 135, 135106 (2024).<br>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).<br>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.<br>(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.<br>(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.<br>(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.<br>(5) Liu, S.; et al. Atomistic short-range order in SiGeSn alloys, under review, https://doi.org/10.21203/rs.3.rs-4909892/v1<br>(6) Vogl, L,; et al. Identification of short-range order motifs, under review. <br>

    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 →