Electrons, Phonons, Electron-Phonon Scattering and Phononics I

Presentations

• High-Throughput Phonon Calculations from Ab Initio Molecular Dynamics Using the Real-Space Multigrid Method (RMG)

  ORAL

  March 5, 2019, 2:30 PM – March 5, 2019, 2:42 PM

  Presenters

  • Jiayong Zhang

    • North Carolina State University

  Authors

  • Jiayong Zhang

    • North Carolina State University

  • Wenchang Lu

    • North Carolina State University
    • Department of Physics, North Carolina State University

  • Emil Briggs

    • North Carolina State University

  • Yongqiang Cheng

    • Oak Ridge National Laboratory

  • Anibal J. Ramirez-Cuesta

    • Oak Ridge National Laboratory

  • Jerry Bernholc

    • North Carolina State University
    • Department of Physics, North Carolina State University

  View abstract →

• Phonons at finite temperature

  ORAL

  March 5, 2019, 2:42 PM – March 5, 2019, 2:54 PM

  Presenters

  • Olle Hellman

    • Linköping University
    • Division of Engineering and Applied Science, California Institute of Technology
    • Linkoping University

  Authors

  • Olle Hellman

    • Linköping University
    • Division of Engineering and Applied Science, California Institute of Technology
    • Linkoping University

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• An optimal approach to computing phonons and their interactions via finite displacements

  ORAL

  March 5, 2019, 2:54 PM – March 5, 2019, 3:06 PM

  Presenters

  • Lyuwen Fu

    • Columbia University

  Authors

  • Lyuwen Fu

    • Columbia University

  • Mordechai C Kornbluth

    • Research and Technology Center North America, Robert Bosch LLC
    • Columbia University

  • Zhengqian Cheng

    • Columbia University

  • Chris Marianetti

    • Columbia University

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• New Thermal Transport Regime for Partial-Crystalline Partial-Liquid Materials

  Invited

  March 5, 2019, 3:06 PM – March 5, 2019, 3:42 PM

  Presenters

  • Ming Hu

    • University of South Carolina
    • Department of Mechanical Engineering, University of South Carolina

  Authors

  • Ming Hu

    • University of South Carolina
    • Department of Mechanical Engineering, University of South Carolina

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• Observation of second sound in graphite at temperatures up to 100 K

  ORAL

  March 5, 2019, 3:42 PM – March 5, 2019, 3:54 PM

  Presenters

  • Ryan Duncan

    • Massachusetts Institute of Technology

  Authors

  • Ryan Duncan

    • Massachusetts Institute of Technology

  • Samuel Huberman

    • Massachusetts Institute of Technology

  • Ke Chen

    • Massachusetts Institute of Technology

  • Bai Song

    • Massachusetts Institute of Technology
    • Department of Mechanical Engineering, Massachusetts Institute of Technology

  • Vazrik Chiloyan

    • Massachusetts Institute of Technology

  • Zhiwei Ding

    • Massachusetts Institute of Technology

  • Alexei Maznev

    • Massachusetts Institute of Technology
    • Department of Chemistry, Massachusetts Institute of Technology

  • Gang Chen

    • Department of Mechanical Engineering, Massachusetts Institute of Technology
    • Mechanical Engineering, Massachusetts Institute of Technology
    • Massachusetts Institute of Technology

  • Keith Adam Nelson

    • Massachusetts Institute of Technology
    • Department of Chemistry, Massachusetts Institute of Technology
    • Chemistry, MIT
    • MiT, Cambridge, MA 02139

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• First-principles study of lattice thermal conductivity in concentrated solid solution alloys

  ORAL

  March 5, 2019, 3:54 PM – March 5, 2019, 4:06 PM

  Presenters

  • Sai Mu

    • Oak Ridge National Laboratory
    • Materials Science and Technology Division, Oak Ridge National Laboratory
    • Department of Condensed Matter Physics and Materials Science, Oak Ridge National Laboratory

  Authors

  • Sai Mu

    • Oak Ridge National Laboratory
    • Materials Science and Technology Division, Oak Ridge National Laboratory
    • Department of Condensed Matter Physics and Materials Science, Oak Ridge National Laboratory

  • Lucas Lindsay

    • Oak Ridge National Laboratory

  • Raina Olsen

    • Oak Ridge National Laboratory
    • QSplice Inc.

  • Bennett C Larson

    • Oak Ridge National Laboratory

  • George Malcolm Stocks

    • Oak Ridge National Laboratory

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• The influence of interfacial structure and strain energy on phonon transport

  ORAL

  March 5, 2019, 4:06 PM – March 5, 2019, 4:18 PM

  Presenters

  • Riley Hanus

    • Materials Science and Engineering, Northwestern University
    • Northwestern University

  Authors

  • Riley Hanus

    • Materials Science and Engineering, Northwestern University
    • Northwestern University

  • Jeff Snyder

    • Materials Science and Engineering, Northwestern University
    • Northwestern University

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• Thermal properties of magnetic materials from first principles

  ORAL

  March 5, 2019, 4:18 PM – March 5, 2019, 4:30 PM

  Presenters

  • Matthew Heine

    • Physics, Boston College

  Authors

  • Matthew Heine

    • Physics, Boston College

  • Olle Hellman

    • Linköping University
    • Division of Engineering and Applied Science, California Institute of Technology
    • Linkoping University

  • David A Broido

    • Boston College
    • Boston Coll
    • Physics, Boston College

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• Nonperturbative modeling of high-frequency Holstein-coupled modes using matrix product states

  ORAL

  March 5, 2019, 4:30 PM – March 5, 2019, 4:42 PM

  Presenters

  • Benedikt Kloss

    • Columbia University

  Authors

  • Benedikt Kloss

    • Columbia University

  • David Reichman

    • Department of Chemistry, Columbia University
    • Columbia University

  • Roel Tempelaar

    • Columbia University

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• Accuracy of Lorenz number estimates based on transport data

  ORAL

  March 5, 2019, 4:42 PM – March 5, 2019, 4:54 PM

  Presenters

  • Aditya Putatunda

    • University of Missouri

  Authors

  • Aditya Putatunda

    • University of Missouri

  • David Singh

    • University of Missouri
    • Physics, University of Missouri
    • University of Missouri-Columbia
    • University of missouri
    • Department of Physics and Astronomy, University of Missouri

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• Automatic ab initio calculations of electronic transport of semiconductors

  ORAL

  March 5, 2019, 4:54 PM – March 5, 2019, 5:06 PM

  Presenters

  • Henrique Miranda

    • Universite catholique de Louvain
    • Université Catholique de Louvain

  Authors

  • Henrique Miranda

    • Universite catholique de Louvain
    • Université Catholique de Louvain

  • Guillaume Brunin

    • Universite catholique de Louvain

  • Matteo Giantomassi

    • Universite catholique de Louvain
    • Université catholique de Louvain
    • Université Catholique de Louvain, IMCN/NAPS , Louvain-la-Neuve, Belgium

  • Gian-Marco Rignanese

    • Institute of Condensed Matter and Nanoscience, Université Catholique de Louvain
    • Universite catholique de Louvain

  • Geoffroy Hautier

    • Universite catholique de Louvain
    • Institute of Condensed Matter and Nanoscience, Université Catholique de Louvain

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• Evidence for the weak coupling scenario of the Peierls transition in the blue bronze K_0.3MoO₃

  ORAL

  March 5, 2019, 5:06 PM – March 5, 2019, 5:18 PM

  Presenters

  • Pablo Ordejon

    • Catalan Institute of Nanoscience and Nanotechnology

  Authors

  • Bogdan Guster

    • Catalan Institute of Nanoscience and Nanotechnology

  • Miguel Pruneda

    • Theory & Simulation Group, Institut Catala de Nanociencia i Nanotecnologia
    • Catalan Institute of Nanoscience and Nanotechnology

  • Pablo Ordejon

    • Catalan Institute of Nanoscience and Nanotechnology

  • Enric Canadell

    • ICMAB-CSIC

  • Jean-Paul Pouget

    • Laboratoire de Physique des Solides, Université de Paris-Sud

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• A model to incorporate electron phonon coupling into classical molecular dynamics

  ORAL

  March 5, 2019, 5:18 PM – March 5, 2019, 5:30 PM

  Presenters

  • Artur Tamm

    • Quantum Simulations Group, Lawrence Livermore National Laboratory

  Authors

  • Artur Tamm

    • Quantum Simulations Group, Lawrence Livermore National Laboratory

  • Magdalena Caro

    • Department of Mechanical Engineering, Virginia Polytechnic Institute

  • Alfredo Caro

    • Virginia Science and Technology Center, George Washington University

  • Alfredo A. Correa

    • Lawrence Livermore Natl Lab
    • Quantum Simulations Group, Lawrence Livermore National Laboratory
    • Quantum Simulation Group, Lawrence Livermore National Laboratory

  View abstract →