By Grant Steven, Qing Li, Zhongpu Zhang
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Finally, the analysis based on the stress-strain response provides an important quantifiable indication of the significance of GBs to the strength of FCC metals. e. comparable to 1010 s-1 applied in prior studies ). These results are useful for indicating atomistic mechanisms and as supplementary validation for experimental observations on a relative basis only. Approach and methodology A bi-crystal structure with a planar GB interface was selected as the most-appropriate for investigating the key characteristics of individual GB-dislocation interactions, because it is the simplest coherent structure and has few independent variables.
At the 6000fs time step, only the metastable GB in Fig. 6C exhibited this response. However, when the next 5000 time steps were reviewed, cases E, G and H were also found to nucleate stacking faults from the GB. Unusually, Fig. 6F did not exhibit the same dislocation nucleation response, despite having a relatively high initial potential energy and qualitative features which were quite similar to those in Fig. 6C. However, in the case of Fig. 6F, relatively substantial “grooving” was observed within the GB at the top and bottom of the simulation cell.
Barbe, Large-scale 3D random polycrystals for the finite element method: Generation, meshing and remeshing, Comput. Method. Appl. M, 200 (2011) 1729-1745.  F. Bachmann, R. Hielscher, H. Schaeben, Texture Analysis with MTEX - Free and Open Source Software Toolbox, in: H. A. ) Texture and Anisotropy of Polycrystals Iii, 2010, pp. 63-68. Applied Mechanics and Materials Vol. A. edu Keywords: Molecular dynamics; Dislocation-loop glide; Multi-scale modeling; Plastic deformation; Grain boundary penetrability; coincidence site lattice; non-Schmid Abstract.
Advances in Computational Mechanics by Grant Steven, Qing Li, Zhongpu Zhang