Commentaries and discussion on seminal papers in molecular simulation.

Present and future of atomistic simulations of dislocation plasticity

Francesco Maresca1; Erik van der Giessen2
1Engineering and Technology Institute Groningen, University of Groningen, the Netherlands
2Zernike Institute for Advanced Materials, University of Groningen, the Netherlands

Commentary on

L.A. Zepeda-Ruiz, A. Stukowski, T. Oppelstrup, N. Bertin, N.R. Barton, R. Freitas and V.V. Bulatov, “Atomistic insights into metal hardening”, Nature Materials, 20:315-320 (2021),

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Statement of Significance

Zepeda-Ruiz et al. is a landmark paper showing what ultra-large-scale atomistic simulations can teach us about plastic deformation of metallic single crystals. In particular, this work presents the currently least-biased predictions of strain hardening caused by dislocation interactions. The generated data is likely to become a major reference for the development or refinement of hardening laws used in models at larger size scales, such as discrete dislocation plasticity and crystal plasticity.

How to cite

Cite the commentary as:

F. Maresca, E. van der Giessen, "Present and future of atomistic simulations of dislocation plasticity",
KIM REVIEW, Volume 2, Article 04, 2024. DOI: 10.25950/d63d27b5

Discussion Thread