Fig. 8
From: A three-dimensional polyhedral unit model for grain boundary structure in fcc metals
The polyhedral unit model of the Σ3\((2\,\bar{1}\,\bar{1})\) GB is illustrated. a, b The atomistic structure and the polyhedral units (CTPs, dual-tetrahedra and distorted octahedra) of the symmetric-tilt GB, along the tilt axis \([0\,\bar{1}\,1]\) and the plane normal \([2\,\bar{1}\,\bar{1}]\), are shown. The polyhedral units corresponding to the smallest asymmetric unit (the unit-cell) are highlighted. The registration of the five unique polyhedral units with their corresponding model units is illustrated in c. The model units for the 9, 6 and 4-atom units are the capped-trigonal-prism, octahedron and the tetrahedron, respectively. In the table, these model units are identified according to their “IDs” in the data-base. The RMSD errors for these units are also provided
