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Due to the absence of reliable experimental data and the complexity of description, a function that could describe the structure-property relationship for the whole variety of grain boundaries in FCC metals is still not available. During last decades most of works analyzing GBCD–GBED relationship on big datasets deals with the determination of dihedral angles in triple junctions treated in the framework of capillary vector approach. This method is based on the assumption that the whole space of GB structural parameters can be divided into equal size domains with constant energy, which could not be the case near GBs with special properties.