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Tensor-reduced atomic density representations
James P. Darby, Dávid P. Kovács, Ilyes Batatia +4
Density based representations of atomic environments that are invariant under Euclidean symmetries have become a widely used tool in the machine learning of interatomic potentials,…
Relative Grain Boundary Energies from Triple Junction Geometry: Limitations to Assuming the Herring Condition in Nanocrystalline Thin Films
Matthew J. Patrick, Gregory S. Rohrer, Ooraphan Chirayutthanasak +5
Grain boundary character distributions (GBCD) are routinely measured from bulk microcrystalline samples by electron backscatter diffraction (EBSD) and serial sectioning can be used…
Examination of computed aluminum grain boundary structures and interface energies that span the 5D space of crystallographic character
Eric R. Homer, Gus L. W. Hart, C. Braxton Owens +3
The space of possible grain boundary structures is vast, with 5 macroscopic, crystallographic degrees of freedom that define the character of a grain boundary. While numerous datas…