Metals: Structural

Presentations

• Pressure effect on the diffusion of carbon at the 85.91^o <100> symmetric tilt grain boundary of α-iron

  ORAL

  March 18, 2021, 3:00 PM – March 18, 2021, 3:12 PM

  Presenters

  • Md Mijanur Rahman

    • Département de physique, Université de Montréal, Case postale 6128, succursale centre-ville, Montreal, QC H3C 3J7, Canada

  Authors

  • Md Mijanur Rahman

    • Département de physique, Université de Montréal, Case postale 6128, succursale centre-ville, Montreal, QC H3C 3J7, Canada

  • Fedwa El-Mellouhi

    • Qatar Environment and Energy Research Institute (QEERI), Hamad Bin Khalifa University, PO Box 5825, Doha, Qatar

  • Othmane Bouhali

    • Texas A&M University at Qatar
    • Texas A&M University at Qatar, Doha, Qatar

  • Charlotte S. Becquart

    • Université de Lille, CNRS, INRA, ENSCL, UMR 8207, UMET, Unité Matériaux et Transformations, F 59 000 Lille, France

  • Normand Mousseau

    • Département de physique, Université de Montréal, Case postale 6128, succursale centre-ville, Montreal, QC H3C 3J7, Canada

  View abstract →

• Bayesian optimization of high entropy alloy properties

  ORAL

  March 18, 2021, 3:12 PM – March 18, 2021, 3:24 PM

  Presenters

  • Franco Moitzi

    • Materials Center Leoben Forschung GmbH (MCL)

  Authors

  • Franco Moitzi

    • Materials Center Leoben Forschung GmbH (MCL)

  • Lorenz Romaner

    • Materials Center Leoben Forschung GmbH (MCL)

  • Andrei Ruban

    • Materials Center Leoben Forschung GmbH (MCL)

  • Oleg Peil

    • Materials Center Leoben Forschung GmbH (MCL)

  View abstract →

• Development of Reference-free (RF) MEAM Interatomic Potentials for Transition Metal-rich Carbides

  ORAL

  March 18, 2021, 3:24 PM – March 18, 2021, 3:36 PM

  Presenters

  • Tyler McGilvry-James

    • Department of Physics, Astronomy, and Materials Science, Missouri State University

  Authors

  • Tyler McGilvry-James

    • Department of Physics, Astronomy, and Materials Science, Missouri State University

  • Andrew Ian Duff

    • Scientific Computing Department, Daresbury Laboratory STFC
    • Scientific Computing Department, Daresbury Laboratory

  • Bikash Timalsina

    • Physics, Astronomy, and Material Science, Missouri State University
    • Department of Physics, Astronomy, and Materials Science, Missouri State University

  • Alin Niraula

    • Department of Physics, Astronomy, and Materials Science, Missouri State University
    • Missouri State Univ

  • Muztoba Rabbani

    • University of Pittsburgh

  • Nirmal Baishnab

    • Missouri State Univ
    • Department of Physics and Astronomy, University of Missouri

  • Puja Adhikari

    • Department of Physics and Astronomy, University of Missouri-Kansas City

  • Saro San

    • Department of Physics and Astronomy, University of Missouri-Kansas City

  • Wai-Yim Ching

    • Department of Physics and Astronomy, University of Missouri-Kansas City

  • Ridwan Sakidja

    • Missouri State Univ
    • Physics, Astronomy, and Material Science, Missouri State University
    • Department of Physics, Astronomy, and Materials Science, Missouri State University

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• Influence of Mn on nanoscale precipitate formation in Al-Cu-Mn alloys

  ORAL

  March 18, 2021, 3:36 PM – March 18, 2021, 3:48 PM

  Presenters

  • ZHAOHAN ZHANG

    • Institute of Materials Science & Engineering, Washington University in St. Louis
    • Institute of Materials Science & Engineering, Department of Mechanical Engineering & Materials Science, Washington University in St. Louis
    • Institute of Materials Science & Engineering, Washington University, St. Louis

  Authors

  • ZHAOHAN ZHANG

    • Institute of Materials Science & Engineering, Washington University in St. Louis
    • Institute of Materials Science & Engineering, Department of Mechanical Engineering & Materials Science, Washington University in St. Louis
    • Institute of Materials Science & Engineering, Washington University, St. Louis

  • Samarendra Roy

    • Materials Science Center, Indian Institute of Technology Kharagpur

  • Shibayan Roy

    • Materials Science Center, Indian Institute of Technology Kharagpur

  • Rohan Mishra

    • Department of Mechanical Engineering & Materials Science, Washington University in St. Louis
    • Institute of Materials Science & Engineering, Department of Mechanical Engineering & Materials Science, Washington University in St. Louis
    • Washington University, St. Louis
    • Institute of Materials Science and Engineering, Washington University in St. Louis
    • Institute of Materials Science & Engineering, Washington University, St. Louis

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• Investigation of electric current-assisted fabrication parameters for nanocarbon-Al composites with improved electrical conductivity and tensile strength

  ORAL

  March 18, 2021, 3:48 PM – March 18, 2021, 4:00 PM

  Presenters

  • Madeline Morales

    • University of Maryland, College Park

  Authors

  • Madeline Morales

    • University of Maryland, College Park

  • Xiaoxiao Ge

    • University of Maryland, College Park

  • Christopher J Klingshirn

    • University of Maryland, College Park

  • Lourdes Salamanca-Riba

    • University of Maryland, College Park

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• Vacancy-mediated Phase Selection in High-Entropy Alloys

  ORAL

  March 18, 2021, 4:00 PM – March 18, 2021, 4:12 PM

  Presenters

  • Prashant Singh

    • Ames Lab
    • Ames Laboratory of US DOE

  Authors

  • Prashant Singh

    • Ames Lab
    • Ames Laboratory of US DOE

  • Shalabh Gupta

    • Ames Lab
    • Division of Materials Science and Engineering, Ames Laboratory, US Dept. of Energy, Ames, IA, USA 50011

  • Matthew J Kramer

    • Ames Lab

  • Duane D. Johnson

    • Ames Lab

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• Surface-stress induced embrittlement of metals

  ORAL

  March 18, 2021, 4:12 PM – March 18, 2021, 4:24 PM

  Presenters

  • Anirudh Udupa

    • Purdue University
    • School of Industrial Engineering, Purdue University

  Authors

  • Anirudh Udupa

    • Purdue University
    • School of Industrial Engineering, Purdue University

  • Tatsuya Sugihara

    • Osaka University

  • Koushik Viswanathan

    • Indian Institute of Science

  • Srinivasan Chandrasekar

    • Purdue University
    • School of Industrial Engineering, Purdue University

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• Stabilities and mechanical properties of novel Mg-based light metal compositionally complex alloys

  ORAL

  March 18, 2021, 4:24 PM – March 18, 2021, 4:36 PM

  Presenters

  • Wernfried Mayr-Schmölzer

    • Institute of Advanced Ceramics, Hamburg University of Technology

  Authors

  • Wernfried Mayr-Schmölzer

    • Institute of Advanced Ceramics, Hamburg University of Technology

  • Johannes Kirschner

    • Institute of Solid State Physics, TU Vienna

  • Clemens Simson

    • LKR, Austrian Institute of Technology GmbH

  • Christoph Eisenmenger-Sittner

    • Institute of Solid State Physics, TU Vienna

  • Johannes Bernardi

    • USTEM, TU Vienna

  • Gregor Vonbun-Feldbauer

    • Hamburg University of Technology
    • Institute of Advanced Ceramics, Hamburg University of Technology

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• Effect of full potential treatment of semi-core states on shear elastic constants

  ORAL

  March 18, 2021, 4:36 PM – March 18, 2021, 4:48 PM

  Presenters

  • Fuyang Tian

    • Institute for Applied Physics, University of Science and Technology Beijing

  Authors

  • Fuyang Tian

    • Institute for Applied Physics, University of Science and Technology Beijing

  • Yang Wang

    • Carnegie Mellon University
    • Pittsburgh Supercomput Ctr
    • Pittsburgh Supercomputing Center
    • Carnegie Mellon Univ
    • Pittsburgh Supercomput Ctr, Carnegie Mellon University

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• Thermomechanical conversion in metals: dislocation plasticity model evaluation of the Taylor-Quinney coefficient

  ORAL

  March 18, 2021, 4:48 PM – March 18, 2021, 5:00 PM

  Presenters

  • Charles Lieou

    • Los Alamos National Laboratory

  Authors

  • Charles Lieou

    • Los Alamos National Laboratory

  • Curt A Bronkhorst

    • University of Wisconsin-Madison

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• Hybrid Cuckoo Search for Accelerating Modeling and Design of High-Entropy Alloys

  ORAL

  March 18, 2021, 5:00 PM – March 18, 2021, 5:12 PM

  Presenters

  • Duane D. Johnson

    • Ames Lab

  Authors

  • Duane D. Johnson

    • Ames Lab

  • Prashant Singh

    • Ames Lab
    • Ames Laboratory of US DOE

  • Ganesh Balasubramanian

    • Lehigh University

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• Revealing nanoscale local chemical environments governing diffusion within binary concentrated alloys through machine learning

  ORAL

  March 18, 2021, 5:12 PM – March 18, 2021, 5:24 PM

  Presenters

  • S. Mohadeseh Taheri-Mousavi

    • Massachusetts Institute of Technology MIT

  Authors

  • S. Mohadeseh Taheri-Mousavi

    • Massachusetts Institute of Technology MIT

  • S. Sina Moeini-Ardakani

    • Massachusetts Institute of Technology MIT

  • Ryan W. Penny

    • Massachusetts Institute of Technology MIT

  • Ju Li

    • Massachusetts Institute of Technology MIT
    • Department of Nuclear Science and Engineering, Massachusetts Institute of Technology

  • A. John Hart

    • Massachusetts Institute of Technology MIT

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• Screening corrosion-resistant binary magnesium alloys through high-throughput computations

  ORAL

  March 18, 2021, 5:24 PM – March 18, 2021, 5:36 PM

  Presenters

  • Hong Zhu

    • Shanghai Jiao Tong Univ

  Authors

  • Yaowei Wang

    • Shanghai Jiao Tong Univ

  • Tian Xie

    • Shanghai Jiao Tong Univ

  • Hong Zhu

    • Shanghai Jiao Tong Univ

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• A data-driven approach to study the order-disorder transition in high entropy alloys

  ORAL

  March 18, 2021, 5:36 PM – March 18, 2021, 5:48 PM

  Presenters

  • Xianglin Liu

    • Oak Ridge National Lab
    • Oak Ridge National Laboratory

  Authors

  • Xianglin Liu

    • Oak Ridge National Lab
    • Oak Ridge National Laboratory

  • Jiaxin Zhang

    • Oak Ridge National Lab

  • Junqi Yin

    • Oak Ridge National Lab

  • Siyu Bi

    • Johns Hopkins University

  • Markus Eisenbach

    • National Center for Computational Sciences, Oak Ridge National Laboratory
    • Oak Ridge National Lab
    • Oak Ridge National Laboratory
    • Oak Ridge Nat. Lab

  • Yang Wang

    • Carnegie Mellon University
    • Pittsburgh Supercomput Ctr
    • Pittsburgh Supercomputing Center
    • Carnegie Mellon Univ
    • Pittsburgh Supercomput Ctr, Carnegie Mellon University

  View abstract →