Atomic Structure, Lattice Properties and Phase Transitions

ORAL · A12 · ID: 46768

Presentations

  • 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 12, 57245–57253 (2020).
    2. Jin, X., Chen, S. & Li, T. Short-range order in SiSn alloy enriched by second-nearest-neighbor repulsion. Phys Rev Mater 5, 104606 (2021).

    Presenters

    • Xiaochen Jin

      • George Washington University
      • Department of Civil and Environmental Engineering, George Washington University

    Authors

    • Xiaochen Jin

      • George Washington University
      • Department of Civil and Environmental Engineering, George Washington University

    • Shunda Chen

      • George Washington University
      • Department of Civil and Environmental Engineering, George Washington University

    • Boxiao Cao

      • Department of Civil and Environmental Engineering, George Washington University

    • Jifeng Liu

      • Thayer School of Engineering, Dartmouth College

    • Tianshu Li

      • George Washington University
      • Department of Civil and Environmental Engineering, George Washington University

    View abstract →

  • ORAL

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    Presenters

    • Yu-Hsuan Nian

      • Department of Physics, University of California Davis, Davis, CA

    Authors

    • Yu-Hsuan Nian

      • Department of Physics, University of California Davis, Davis, CA

    • I. Vinograd

      • University of California, Davis
      • Department of Physics, University of California Davis, Davis, CA

    • T. Greene

      • Department of Physics, University of California Davis, Davis, CA

    • Z. Wang

      • University of California, Davis
      • Department of Physics, University of California Davis, Davis, CA

    • P. Massat

      • STANFORD UNIVERSITY
      • Geballe Laboratory for Advanced Materials and Department of Applied Physics, Stanford University, CA 94305, USA

    • I. R Fisher

      • Stanford Univ
      • Stanford University; SLAC National Accelerator Laboratory
      • Geballe Laboratory for Advanced Materials and Department of Applied Physics, Stanford University, CA 94305, USA

    • N. J Curro

      • University of California, Davis
      • Department of Physics, University of California Davis, Davis, CA

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  • ORAL

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    Publication: T. J. Slade, V. Gvozdetskyi, J. M. Wilde, A. Kreyssig, E. Gati, L. Wang, Y. Mudryk, R. A. Ribeiro, V. K. Pecharsky, J. V. Zaikina, S. L. Budko, P. C. Canfield. A Low Temperature Structural Transition in Canfieldite, Ag8SnS6, Single Crystals. arXiv:2110.07508

    Presenters

    • Paul C Canfield

      • Iowa State University
      • Ames Laboratory and Department of Physics, Iowa State University
      • Ames Laboratory/Iowa State University

    Authors

    • Tyler J Slade

      • Ames Lab

    • Volodymyr Gvozdetskyi

      • Iowa State University

    • John M Wilde

      • Iowa State University
      • Iowa State University/Ames Laboratory

    • Andreas Kreyssig

      • Ames Lab

    • Elena Gati

      • max planck institute
      • Ames Laboratory

    • Lin-Lin Wang

      • Ames Lab

    • Yaroslav Mudryk

      • Ames Laboratory

    • Raquel A Ribeiro

      • Ames Laboratory

    • Vitalij K Pecharsky

      • Ames Laboratory

    • Julia V Zaikina

      • Iowa State University

    • Paul C Canfield

      • Iowa State University
      • Ames Laboratory and Department of Physics, Iowa State University
      • Ames Laboratory/Iowa State University

    • Sergey L Budko

      • Iowa State University
      • Ames Laboratory and Department of Physics, Iowa State University
      • Ames Laboratory/Iowa State University

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  • ORAL

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    Publication: 1. Optical-phonon-dominated heat transport: a first-principles thermal conductivity study of BaSnS2 (under review)

    Presenters

    • Zhi Li

      • Northwestern University

    Authors

    • Zhi Li

      • Northwestern University

    • Hongyao Xie

      • Northwestern University

    • Shiqiang Hao

      • Northwestern University

    • Yi Xia

      • Northwestern University

    • Xianli Su

      • Wuhan University of Technology

    • Mercouri G Kanatzidis

      • Northwestern University

    • Christopher M Wolverton

      • Northwestern University

    • Xinfeng Tang

      • Wuhan University of Technology

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  • ORAL

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    Publication: https://arxiv.org/abs/2107.07616

    Presenters

    • Andrey Baydin

      • Rice University

    Authors

    • Andrey Baydin

      • Rice University

    • Felix Hernandez

      • Universidade de S ̃ao Paulo

    • Martin A Rodriguez-vega

      • University of Texas at Austin
      • Los Alamos National Laboratory

    • Anderson Okazaki

      • Instituto Nacional de Pesquisas Espaciais

    • Fuyang Tay

      • Rice Univ

    • Gary T Noe

      • Rice Univ

    • Ikufumi Katayama

      • Yokohama National University, Yokohama, Japan
      • Yokohama National University

    • Jun Takeda

      • Yokohama National University, Yokohama, Japan
      • Yokohama National University

    • Hiroyuki Nojiri

      • Tohoku University, Sendai, Japan
      • Tohoku University

    • Paulo Rappl

      • Instituto Nacional de Pesquisas Espaciais

    • Eduardo Abramof

      • Instituto Nacional de Pesquisas Espaciais

    • Gregory A Fiete

      • Northeastern University

    • Junichiro Kono

      • Rice Univ
      • Rice University

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  • ORAL

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    Publication: Perikala, M., Bhardwaj, A. Excellent color rendering index single system white light emitting carbon dots for next generation lighting devices. Sci Rep 11, 11594 (2021). https://doi.org/10.1038/s41598-021-91074-w
    M. Perikala and A. Bhardwaj, "Polymer Carbon Dots for Next Generation White Light Emitting Devices," 2021 IEEE 21st International Conference on Nanotechnology (NANO), 2021, pp. 356-359, doi: 10.1109/NANO51122.2021.9514290.

    Presenters

    • Manasa Perikala

      • PhD Research scholar

    Authors

    • Manasa Perikala

      • PhD Research scholar

    • Asha Bhardwaj

      • Assistant Professor

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  • ORAL

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    Publication: [1] Kimoto, T, Yonezawa, Y. Current status and perspectives of ultrahigh-voltage SiC power devices. Mater Sci Semicond Process. 78, 43-56 (2016).
    [2] Guo, J., Yang, Y., Raghothamachar, B., Kim, T., Dudley, M., Kim, J. Understanding the microstructures of triangular defects in 4H-SiC homoepitaxial. J. Cryst. Growth 480 (2017).
    [3] Berechman, R.A., Skowronski, M., Zhang, Q. Electrical and structural investigation of triangular defects in 4H-SiC junction barrier Schottky devices. J. Appl. Phys. 105, 074513 (2009).
    [4] Ramakers, S.J.J., Eckl, T., Marusczyk, A., Hammerschmidt, T., Mrovec, M., Drautz, R. Effects of thermal, elastic and surface properties on the polytype stability of SiC: an ab initio study including van der Waals interactions. In preparation.
    [5] Vandermause, J., Torrisi, S.B., Batzner, S. et al. On-the-fly active learning of interpretable Bayesian force fields for atomistic rare events. npj Comput Mater 6, 20 (2020).
    [6] Xie, Y., Vandermause, J., Sun, L., Cepellotti, A., Kozinsky, B. Bayesian force fields from active learning for simulation of inter-dimensional transformation of stanene. npj Comput Mater 7, 40 (2021).
    [7] Xie, Y., Ramakers, S.J.J., Protik, N.H., Kozinsky. B. On-the-fly Bayesian Learning with LAMMPS Molecular Dynamics, an Application of Many-body Potential of SiC. In preparation.

    Presenters

    • Senja J Ramakers

      • Ruhr-Universität Bochum, Robert Bosch GmbH.

    Authors

    • Senja J Ramakers

      • Ruhr-Universität Bochum, Robert Bosch GmbH.

    • Yu Xie

      • Harvard University

    • Thomas Eckl

      • Robert Bosch GmbH.

    • Maximilian Amsler

      • Cornell University
      • University of Basel

    • Boris Kozinsky

      • Harvard University

    • Thomas Hammerschmidt

      • Ruhr-Unversität Bochum

    • Matous Mrovec

      • Ruhr-Universität Bochum

    • Ralf Drautz

      • ICAMS
      • University of Bochum
      • Ruhr-Universität Bochum

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  • ORAL

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    Presenters

    • Qingkai Qian

      • Key Laboratory of Optoelectronic Technology and System of Ministry of Education, College of Optoelectronic Engineering, Chongqing University, Chongqing 400044, China

    Authors

    • Qingkai Qian

      • Key Laboratory of Optoelectronic Technology and System of Ministry of Education, College of Optoelectronic Engineering, Chongqing University, Chongqing 400044, China

    • Lintao Peng

      • Center for Nanoscale Materials, Argonne National Laboratory, Argonne, Illinois 60439, United States

    • Yuanxi Wang

      • Department of Physics, The Pennsylvania State University, University Park, Pennsylvania 16802, United States

    • Anne Marie Z. Tan

      • Department of Materials Science and Engineering, University of Florida, Gainesville, Florida 32611, United States

    • Liangbo Liang

      • Oak Ridge National Lab
      • Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States

    • Tanushree H. Choudhury

      • 2D Crystal Consortium, Materials Research Institute, The Pennsylvania State University, University Park, Pennsylvania 16802, USA

    • Joan M. Redwing

      • 2D Crystal Consortium, Materials Research Institute, The Pennsylvania State University, University Park, Pennsylvania 16802, USA

    • Alexander A. A Puretzky

      • Oak Ridge National Laboratory
      • Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States

    • David B. Geohegan

      • Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States

    • Richard G. G Hennig

      • University of Florida
      • Department of Materials Science and Engineering, University of Florida
      • Department of Materials Science and Engineering, University of Florida, Gainesville, Florida 32611, United States

    • Xuedan Ma

      • Argonne National Laboratory
      • Center for Nanoscale Materials, Argonne National Laboratory, Argonne, Illinois 60439, United States

    • Shengxi Huang

      • The Pennsylvania State University
      • Pennsylvania State University
      • Department of Electrical Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, United States

    View abstract →