Computational Materials Design - Prediction of Novel Phases

ORAL · V12

Presentations

  • Prediction of a new phosphorus allotrope with tunable direct band gap and high mobility

    ORAL

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    Presenters

    • Woo Hyun Han

      Department of Physics, Korea Adv Inst of Sci & Tech, Korea Adv Inst of Sci & Tech

    Authors

    • Woo Hyun Han

      Department of Physics, Korea Adv Inst of Sci & Tech, Korea Adv Inst of Sci & Tech

    • Sunghyun Kim

      Department of Materials, Imperial College London, Imperial College London

    • In-Ho Lee

      Center for Materials Genome, Korea Research Institute of Standards and Science, Korea Research Institute of Standards and Science

    • Kee Joo Chang

      Department of Physics, Korea Adv Inst of Sci & Tech, Korea Adv Inst of Sci & Tech

    View abstract →

  • Phase Stability of High-Pressure Materials

    ORAL

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    Presenters

    • Maximilian Amsler

      Materials Science and Engineering, Northwestern University, Materials Science & Engineering, Northwestern University

    Authors

    • Maximilian Amsler

      Materials Science and Engineering, Northwestern University, Materials Science & Engineering, Northwestern University

    • Vinay Hegde

      Materials Science and Engineering, Northwestern University, Northwestern Univ

    • Christopher Wolverton

      Materials Science and Engineering, Northwestern University, Materials Science & Engineering, Northwestern University, Northwestern Univ, Northwestern University, Materials Science and Engineering, Northwestern Univ, Department of Materials Science and Engineering, Northwestern University

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  • Dynamic polymorphism in solids with multiple local minima on the atomic potential energy surface

    ORAL

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    Presenters

    • Nikolai Zarkevich

      Department of Energy, Ames Laboratory

    Authors

    • Nikolai Zarkevich

      Department of Energy, Ames Laboratory

    • Duane Johnson

      Iowa State University, Iowa state university/Ames Laboratory, Iowa State University / Ames Laboratory

    • Vitalij Pecharsky

      Iowa State University, Ames Laboratory, U.S. Department of Energy, and Department of Materials Science and Engineering, Iowa State University, Materials Sceince and Engineering, Ames Laboratory, Division of Materials Science and Engineering, Ames Laboratory, Ames Laboratory

    View abstract →

  • Towards controlled morphology of bimetallic nanoparticles: Concentration and size effects

    ORAL

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    Presenters

    • Javier Rojas

      CEDENNA & Physics department, Universidad de Santiago de Chile

    Authors

    • Javier Rojas

      CEDENNA & Physics department, Universidad de Santiago de Chile

    • Eduardo Bringa

      CONICET & Facultad Ciencias Exactas y Naturales, Universidad Nacional de Cuyo, Facultad de Ciencias Exactas y Naturales, Universidad Nacional de Cuyo

    • Rafael Gonzalez

      CEDENNA & Facultad de Ciencias, Universidad Mayor

    • Sebastian Allende

      CEDENNA & Physics department, Universidad de Santiago de Chile, Departamento de Fisica, Universidad de Santiago de Chile

    • Samuel Baltazar

      CEDENNA & Physics department, Universidad de Santiago de Chile, Physics Department and CEDENNA, Universidad de Santiago de Chile

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  • Grain Growth Prediction Based on Data Assimilation by Implementing 4DVar on Phase-Field Models

    ORAL

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    Presenters

    • Hiromichi Nagao

      Earthquake Research Institute, The University of Tokyo

    Authors

    • Shin-ichi Ito

      Earthquake Research Institute, The University of Tokyo, Univ of Tokyo

    • Hiromichi Nagao

      Earthquake Research Institute, The University of Tokyo

    • Tadashi Kasuya

      Graduate School of Engineering, The University of Tokyo

    • Junya Inoue

      Research Center for Advanced Science and Technology, The University of Tokyo

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  • Mesoscale modeling of mixed-type dislocations in face-centered cubic metals

    ORAL

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    Presenters

    • Shuozhi Xu

      California NanoSystems Institute, Univ of California - Santa Barbara, Mechanical Engineering, Univ of California - Santa Barbara, Univ of California - Santa Barbara

    Authors

    • Shuozhi Xu

      California NanoSystems Institute, Univ of California - Santa Barbara, Mechanical Engineering, Univ of California - Santa Barbara, Univ of California - Santa Barbara

    • Jaber Mianroodi

      RWTH Aachen

    • Yuanqi Guo

      Beihang University

    • Ruifeng Zhang

      Beihang University

    • Abigail Hunter

      Los Alamos National Laboratory

    • Irene Beyerlein

      University of California, Santa Barbara, Mechanical Engineering, Univ of California - Santa Barbara

    • Bob Svendsen

      RWTH Aachen

    View abstract →

  • Lateral and Vertical Heterostructures of h-GaN/h-AlN: Electron Confinement, Band Lineup and Quantum Structures

    ORAL

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    Presenters

    • Engin Durgun

      Bilkent University, National Nanotechnology Research Center (UNAM), Bilkent University

    Authors

    • Engin Durgun

      Bilkent University, National Nanotechnology Research Center (UNAM), Bilkent University

    • Abdullatif Onen

      Bilkent University

    • Deniz Kecik

      Bilkent University

    • Salim Ciraci

      Bilkent University, Department of Physics, Bilkent University

    View abstract →

  • Composition-Dependent Phase Stability in Yttria Stabilized Zirconia: Clues from Lattice Dynamics Calculation

    ORAL

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    Presenters

    • Jongmin Yun

      Materials Science and Engineering, Yonsei University

    Authors

    • Jongmin Yun

      Materials Science and Engineering, Yonsei University

    • Ji-Hwan Lee

      Materials Science and Engineering, Yonsei University

    • Emin Kilic

      Materials Science and Engineering, Yonsei University

    • Aloysius Soon

      Materials Science and Engineering, Yonsei Univ, Materials Science and Engineering, Yonsei University, Materials Science & Engineering, Yonsei University

    View abstract →

  • First-Principles Exploration of Thermodynamically Stable Cs-O Compounds

    ORAL

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    Presenters

    • Jinseon Park

      Department of Physics and Astronomy, University of Tennessee

    Authors

    • Jinseon Park

      Department of Physics and Astronomy, University of Tennessee

    • Lizhi Zhang

      Department of Physics and Astronomy, University of Tennessee, Department of Physics and Astronomy, University of Tennessee, Knoxville

    • Mina Yoon

      Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge National Laboratory

    View abstract →