Commentaries and discussion on seminal papers in molecular simulation.
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.
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