A Toolbox for Geometric Grain Boundary Characterization
Properties of polycrystalline materials are affected by grain boundary networks. The most basic aspect of boundary analysis is boundary geometry. This paper describes a package of computer programs for geometric boundary characterization based on macroscopic boundary parameters. The program allows for determination whether a boundary can be classified as near-tilt, -twist, -symmetric et cetera. Since calculations on experimental, i.e., error affected data are assumed, the program also provides distances to the nearest geometrically characteristic boundaries. The software has a number of other functions helpful in grain boundary analysis. One of them is the determination of planes of all characteristic boundaries for a given misorientation. The resulting diagrams of geometrically characteristic boundaries can be linked to experimentally determined grain boundary distributions. In computations, all symmetrically equivalent representations of boundaries are taken into account. Cubic and hexagonal holohedral crystal symmetries are allowed.
KeywordsGrain boundary interface geometric characterization macroscopic boundary parameters
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