Computer simulation of grain boundary spatial distribution in a three-dimensional polycrystal with cubic structure
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Publication Details
Output type: Journal article
Author list: Romero D, Martinez L, Fionova L
Publisher: Elsevier
Publication year: 1996
Journal: Acta Materialia (1359-6454)
Volume number: 44
Issue number: 1
Start page: 391
End page: 402
Number of pages: 12
ISSN: 1359-6454
eISSN: 1873-2453
Languages: English-Great Britain (EN-GB)
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Open access status: closed
Abstract
A close packed aggregate of Kelvin polyhedra is used to model the spatial distribution of different types of grain boundaries (GBs) in a three-dimensional polycrystal. Orthogonal matrices of rotation of a reference unit crystal are randomly generated and stochastically assigned to the volume units. The misorientation matrices of neighboring polyhedra are computed and low-angle and special misorientations are selected out of them. Finally, the positions of certain types of GBs in the volume under calculation determine what allows to fix the clusters of low-energy GBs. For various classifications of low-energy GBs, the frequency of cluster sizes in polycrystal is estimated.
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