Fig. 13 | npj Computational Materials

Fig. 13

From: A three-dimensional polyhedral unit model for grain boundary structure in fcc metals

Fig. 13

The polyhedral unit model of the Σ\(49a(450,221,113)(\bar{9}\,\bar{2}\,\bar{5})\) general GB is illustrated. The units shown here are those obtained after the post-processing analysis described in section S3.4 of the Supplementary Information. The unit-cell of the GB is described by vectors \(\overrightarrow{{t}_{1}}=[\bar{5},2,16]\) and \(\overrightarrow{{t}_{2}}=[\overline{16},29,7]\). The boundary-normal vector along which the GB is viewed in this figure is \(\hat{n}=[\overline{450},\overline{221},\overline{113}]\). The two-dimensional unit cells of the GB are highlighted. For the sake of simplicity, only units with greater than seven atoms are shown in this figure

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