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Dislocations and Energy of Grain Boundaries in Crystal Structures with Covalent Bonds
Author(s) -
An Nguyen,
Herrmann R.,
Schurig Th.,
Worm G.
Publication year - 1985
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221310214
Subject(s) - grain boundary , dangling bond , crystallography , materials science , dislocation , covalent bond , condensed matter physics , grain boundary strengthening , crystal (programming language) , tetrahedron , tilt (camera) , lattice (music) , rotation (mathematics) , geometry , silicon , chemistry , microstructure , physics , metallurgy , mathematics , organic chemistry , computer science , acoustics , programming language
In covalent bounded crystal structures the construction of grain boundaries with low lattice deformation is possible by ring dislocations. The present work deals new aspects of the formation of binding rings. There will be introduced structure units of the grain boundaries as binding tetrahedrons enabling the formation of 5–7 and 5–7–n · 8‐ring dislocations. Due to these dislocations grain boundaries with rotation angles θ between 0° and 180° can be constructed. The dislocation density in the grain boundaries does not increase monotonously with the tilt angle θ, but reaches maxima for discrete rotation angles (θ max i= 26.53°, 109.47°, and 148.49°). It can be shown, that dangling bonds in these grain boundaries exist only in special angular ranges.