Innovative Combinations of Atomistic and Continuum: Plastic Deformation of Nanocrystalline Materials

  • Mohammed CherkaouiEmail author
  • Laurent Capolungo
Part of the Springer Series in Materials Science book series (SSMATERIALS, volume 112)

In this last chapter, novel techniques allowing us to face the challenges presented in Chapter 3 (e.g., how to perform the scale transition from the atomistic scale to a higher scale) will be introduced. Recall that the activity of several mechanisms operating in NC materials (e.g., grain boundary dislocation emission, grain boundary sliding/migration) was revealed by atomistic simulations. Unfortunately, due to the limitations inherent in atomistic modeling, presented in detail in Chapter 4, and mainly arising from the computational expanse of atomistic simulations, most simulations are performed at either strain rates, temperatures, or stress states several orders of magnitude larger than that relevant to both quasi-static and shock loading applications. With these considerations, the critical issue arising from atomistic simulations consists of predicting the overall effect of each mechanism. For example, in the case of the emission of dislocation from grain boundaries, it is critical to predict the frequency at which a dislocation is emitted when a nanocrystalline (NC) sample is subjected to monotonic loading. Additionally, it is also necessary to know the effect of each emission and penetration event.


Slip System Atomistic Simulation Critical Resolve Shear Stress Imperfect Interface Dislocation Emission 
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Copyright information

© Springer Science+Business Media, LLC 2009

Authors and Affiliations

  1. 1.Georgia Institute of TechnologyAtlantaUSA
  2. 2.Los Alamos National LaboratoryLos AlamosUSA

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