Concepedia

Defect Modeling

Defect Modeling is a computational methodology within materials science that specifically involves the simulation and analysis of structural imperfections in solids to predict their influence on material properties and behavior at the atomic or mesoscopic scale.

8.9K

Publications

466.4K

Citations

22.1K

Authors

3.5K

Institutions

Publications per year

2017–2026

2.1K

Parents

Children

Publications

8.9K

Modeling solid-state chemistry: Interatomic potentials for multicomponent systems

J. Tersoff · Physical review. B, Condensed matter · 1989 · 4.1K citations

, , +17

First-principles calculations for defects and impurities: Applications to III-nitrides

Chris G. Van de Walle, Jörg Neugebauer · Journal of Applied Physics · 2004 · 3.2K citations

, , +17

First-principles calculations for point defects in solids

Christoph Freysoldt, Blazej Grabowski, Tilmann Hickel et al. · Reviews of Modern Physics · 2014 · 2.9K citations

, , +17

Automated identification and indexing of dislocations in crystal interfaces

Alexander Stukowski, Vasily V. Bulatov, A. Arsenlis · Modelling and Simulation in Materials Science and Engineering · 2012 · 2.3K citations · Full text

, , +16

Structural stability and lattice defects in copper:<i>Ab initio</i>, tight-binding, and embedded-atom calculations

Y. Mishin, Michael J. Mehl, D. A. Papaconstantopoulos et al. · Physical review. B, Condensed matter · 2001 · 2.1K citations

, , +17

1–5 of 8.9K

Authors

22.1K

  1. KN
    K. Nordlund

    University of Helsinki, Finland

    60 publications · 6.3K citations

    36

    h-index

  2. CR
    C. Richard A. Catlow

    University College London, United Kingdom

    58 publications · 4.2K citations

    34

    h-index

  3. FG
    Fei Gao

    Pacific Northwest National Laboratory, United States

    55 publications · 4K citations

    32

    h-index

  4. WJ
    William J. Weber

    Pacific Northwest National Laboratory, United States

    42 publications · 3.7K citations

    30

    h-index

  5. SL
    S. L. Dudarev

    Culham Science Centre, United Kingdom

    32 publications · 2.5K citations

    27

    h-index

1–5 of 22.1K

Institutions

3.5K

  1. Centre National de la Recherche Scientifique

    Paris, France

    62 h-index

    993 publications

    48.7K citations

  2. Oak Ridge National Laboratory

    Oak Ridge, United States

    59 h-index

    387 publications

    38.1K citations

  3. Commissariat à l'Énergie Atomique et aux Énergies Alternatives

    Paris, France

    50 h-index

    463 publications

    26.4K citations

  4. Imperial College London

    London, United Kingdom

    46 h-index

    231 publications

    16K citations

  5. University of Illinois Urbana-Champaign

    Urbana, United States

    45 h-index

    193 publications

    15.4K citations

  6. Massachusetts Institute of Technology

    Cambridge, United States

    45 h-index

    266 publications

    31K citations

  7. University of Helsinki

    Helsinki, Finland

    44 h-index

    215 publications

    21.8K citations

  8. Los Alamos National Laboratory

    Los Alamos, United States

    42 h-index

    283 publications

    31.2K citations

1–8 of 3.5K

Venues

  1. Physical review. B, Condensed matter

    PRB · 329 publications · 39.2K citations

    86

    h-index

  2. Physical Review B

    PRB · 238 publications · 18.4K citations

    72

    h-index

  3. Physical Review Letters

    PRL · 148 publications · 16.9K citations

    68

    h-index

  4. Acta Materialia

    162 publications · 11.9K citations

    64

    h-index

  5. Journal of Applied Physics

    374 publications · 20.3K citations

    64

    h-index

1–5