Structural Materials, Defects, Deformation
ORAL · A15 ·
Presentations
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Modeling Point Defects in Austenite using Density Functional Theory
ORAL
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Authors
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Ron Gibala
- University of Michigan
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William Counts
- Northwestern University
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Chris Wolverton
- Northwestern University
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Ab-initio and thermodynamic description of interaction of hydrogen with vacancies in fcc iron
ORAL
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Authors
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Roman Nazarov
- Max-Planck-Institut f\"ur Eisenforschung GmbH
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Tilmann Hickel
- Max-Planck-Institut f\"ur Eisenforschung GmbH
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Joerg Neugebauer
- Max-Planck-Institut fuer Eisenforschung GmbH
- Max-Planck-Institut f\"{u}r Eisenforschung GmbH, Max-Planck-Str. 1, 40237, D\"{u}sseldorf
- Max-Planck Institut fur Eisenforschung
- Max-Planck-Institut fuer Eisenforschung
- Department for Computational Materials Design, Max-Planck-Institut f{\"u}r Eisenforschung GmbH, 40237 D{\"u}sseldorf, Germany
- Max-Planck-Institut f{\"u}r Eisenforschung GmbH, Max-Planck-Str. 1, 40237, D{\"u}sseldorf, Germany
- Max-Planck-Institut f\"ur Eisenforschung GmbH
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Characteristic Picture of Fe-Based Disordered Alloys: {\em Ab Initio} Study
ORAL
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Authors
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S. J. Kang
- Seoul National University
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Miyoung Kim
- Seoul National University
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Young-Kyun Kwon
- Kyung Hee University
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Liquid-metal embrittlement in Iron: surface energy reduction of Fe(110) upon Hg, Pb and Bi adsorption
ORAL
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Authors
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Lin-Lin Wang
- Materials Science and Engineering
- Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign
- University of Illinois at Urbana-Champaign
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Thierry Auger
- Ecole Centrale Paris MSSMAT, UMR CNRS 8579
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Duane D. Johnson
- University of Illinois at Urbana-Champaign
- University of Illinois at Urbana Champaign
- Materials Science and Engineering
- Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign
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Multi-scale modelling of the structure and mobility of small defect clusters in iron
ORAL
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Authors
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Mihai-Cosmin Marinica
- SRMP CEA Saclay
- CEA, DEN, SRMP, F-91191 Gif-sur-Yvette
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Francois Willaime
- CEA, DEN, SRMP, F-91191 Gif-sur-Yvette
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Predicting Dislocation Climb and Creep from Explicit Atomistic Details
ORAL
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Authors
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Mukul Kabir
- Dept of Materials Science and Engineering, Massachusetts Institute of Technology
- Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA
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Timothy T. Lau
- Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA
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David Rodney
- Science et Ing\'{e}nierie des Mat\'{e}riaux et Proc\'{e}d\'{e}s, Institut Polytechnique de Grenoble, CNRS/UJF, 38402 Saint Martin d'H\`{e}res, France
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Sidney Yip
- Department of Nuclear Science and Engineering, Massachusetts Institute of technology, Cambridge, Massachusetts 02139, USA
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Krystyn J. Van Vliet
- Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA
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Grain boundaries and glasses: birds of a feather
ORAL
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Authors
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Hao Zhang
- University of Alberta, Canada
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David Srolovitz
- Institute of High Performance Computing
- Institute of High Performance Computing, Singapore
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Jack Douglas
- National Institute of Standards and Technology
- Polymers Division, NIST Gaithersburg
- National Institute of Standards and Technology, Gaithersburg, MD, USA
- Polymer Division, NIST, Gaithersburg, MD
- Polymers Division, NIST
- Polymers Division, National Institute of Standards and Technology, Gaithersburg, MD 20899
- NIST
- Polymers Division, NIST, USA
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James Warren
- Metallurgy Division, NIST, USA
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Computing ab initio free energy contributions of point defects
ORAL
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Authors
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B. Grabowski
- Max-Planck-Institut Duesseldorf
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L. Ismer
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T. Hickel
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J. Neugebauer
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Atomistic simulation of plastic deformation in metallic nanowires
ORAL
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Authors
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Min Ji
- Ames Laboratory, U.S. DOE and Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011, USA
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Cai-Zhuang Wang
- Ames Laboratory, U.S. Department of Energy
- Iowa State University
- Ames Laboratory, U.S. DOE and Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011, USA
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Kai-ming Ho
- Department of Physics, Ames Laboratory, U.S. Department of Energy
- Iowa State University
- Ames Laboratory, U.S. DOE and Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011, USA
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First principles study of thermodynamic, structural and elastic properties of eutectic Ti-Fe alloys
ORAL
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Authors
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Li-Fang Zhu
- Max-Planck-Institut f{\"u}r Eisenforschung GmbH, Max-Planck-Str. 1, 40237, D{\"u}sseldorf, Germany
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Martin Fri{\'a}k
- Department for Computational Materials Design, Max-Planck-Institut f{\"u}r Eisenforschung GmbH, 40237 D{\"u}sseldorf, Germany
- Max-Planck-Institut f{\"u}r Eisenforschung GmbH, Max-Planck-Str. 1, 40237, D{\"u}sseldorf, Germany
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Joerg Neugebauer
- Max-Planck-Institut fuer Eisenforschung GmbH
- Max-Planck-Institut f\"{u}r Eisenforschung GmbH, Max-Planck-Str. 1, 40237, D\"{u}sseldorf
- Max-Planck Institut fur Eisenforschung
- Max-Planck-Institut fuer Eisenforschung
- Department for Computational Materials Design, Max-Planck-Institut f{\"u}r Eisenforschung GmbH, 40237 D{\"u}sseldorf, Germany
- Max-Planck-Institut f{\"u}r Eisenforschung GmbH, Max-Planck-Str. 1, 40237, D{\"u}sseldorf, Germany
- Max-Planck-Institut f\"ur Eisenforschung GmbH
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The impact of kinetics and the thresholds of twinning in \emph{bcc} tantalum
ORAL
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Authors
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Kyle Caspersen
- Lawrence Livermore National Lab
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Robert Rudd
- Lawrence Livermore National Lab
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Mike Surh
- Lawrence Livermore National Lab
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David Richards
- Lawrence Livermore National Lab
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Jim Glosli
- Lawrence Livermore National Lab
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Fred Streitz
- Lawrence Livermore National Lab
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Embedded-atom method potential for niobium
ORAL
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Authors
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Michael Fellinger
- The Ohio State University
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Hyoungki Park
- The Ohio State University
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John Wilkins
- The Ohio State University
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Role of the defect core in energetics of vacancies in aluminum
ORAL
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Authors
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Vikram Gavini
- University of Michigan
- Department of Mechanical Engineering
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The formation and structure of the oxide and hydroxide chemisorbed phases at the aluminum surface, and relevance to hydrogen embrittlement
ORAL
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Authors
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Michael Francis
- University of Virginia
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Robert Kelly
- University of Virginia
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Matthew Neurock
- University of Virginia
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Ab initio investigation of grain boundary cohesion in Al alloys
ORAL
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Authors
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Shengjun Zhang
- Northwestern University
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Oleg Y. Kontsevoi
- Northwestern University
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A.J. Freeman
- Northwestern University
- Northwestern U.
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G.B. Olson
- Northwestern University
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