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An Atomistic Study Of The Structure Of Grain Boundary Dislocations
Author(s) -
Sutton A. P.,
Smith D. A.,
Vitek V.
Publication year - 1979
Publication title -
journal of microscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.569
H-Index - 111
eISSN - 1365-2818
pISSN - 0022-2720
DOI - 10.1111/j.1365-2818.1979.tb00193.x
Subject(s) - grain boundary , dissociation (chemistry) , condensed matter physics , coincidence , atomic units , materials science , partial dislocations , symmetry (geometry) , boundary (topology) , dislocation , enhanced data rates for gsm evolution , crystallography , physics , geometry , chemistry , mathematics , mathematical analysis , quantum mechanics , medicine , telecommunications , microstructure , alternative medicine , computer science , pathology
SUMMARY Computer atomistic calculations of the structure of edge grain boundary dislocations in coincidence boundaries have been carried out using a central force pairwise potential to describe the atomic interaction. The calculations show that close packed configurations of atoms exist in the cores of the dislocations. They also suggest that under certain specified conditions the structures of some grain boundary dislocations with Burgers vectors having the same magnitude but opposite signs on the same boundary facet can have different atomic structures. This is found to depend on the symmetry of the boundary plane, the driving force for dissociation into symmetry relating partials, the kinetics of the dissociation reaction, and the source of the dislocations.