Developing an algorithm which can extract grain boundary types and coherence from atomistic simulations.
In general, for a given orientation relationship (OR), if the boundary plane normal changes, the interface structure may change. However, in practice measurement, a small deviation is allowed, such as by EBSD, a coincidence site lattice (CSL) OR is identified with the Brand criterion, i.e. the misorientation angle θm < 15 Σ1/2 degree.
Anyway, for a flat grain boundary, it is not a problem to identified its coherency. This could be done by identifying coherence atoms, and then grain boundary type.
Thanks Xinfu for your response. I understand that Brandon criteria can be applied to find an allowable difference in misorientation axis for determining sigma types, however does this rule also apply to differences in boundary plane normal? In other words we apply Brandon criteria by analyzing the mis-misorientation between two grains and a perfect sigma type. Do we also do the same for a given boundary normal and the boundary normal for a perfect coherent sigma boundary? Hope that all makes since. Thanks so much for the help! If you know of any good literature I should read let me know!
-Jason
The books by Prof. Valerie Randle (Swansea University) may be helpful.
1)" Introduction to Texture Analysis: Macrotexture, Microtexture and Orientation Mapping". 2) "The Measurement of Grain Boundary Geometry (Microscopy in Materials Science)". 3) "Microtexture Determination and its Applications", ISBN 978-1902653839.
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