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Atomistic simulations of dislocations in confined volumes

: Derlet, P.M.; Gumbsch, P.; Hoagland, R.; Li, J.; McDowell, D.L.; Swygenhoven, H. van; Wang, J.

MRS Bulletin 34 (2009), Nr.3, S.184-189
ISSN: 0883-7694
Fraunhofer IWM ()
tilt grain-boundary; coherent twin boundary; nanocrystalline metals; molecular dynamic; rate sensitivity; nanolayered composite; mechanical property; bicrystal interface; sliding mechanism

Internal microstructural length scales play a fundamental role in the strength and ductility of a material. Grain boundaries in nanocrystalline structures and heterointerfaces in nanolaminates can restrict dislocation propagation and also act as a source for new dislocations, thereby affecting the detailed dynamics of dislocation-mediated plasticity Atomistic simulation has played an important and complementary role to experiment in elucidating the nature of the dislocation/interface interaction, demonstrating a diversity of atomic-scale processes covering dislocation nucleation, propagation, absorption, and transmission at interfaces. This article reviews some atomistic simulation work that has made progress in this field and discusses possible strategies in overcoming the inherent time scale challenge of finite temperature molecular dynamics.