Fig. 4: Representation of the atomic model of the surface slab terminations. | npj Computational Materials

Fig. 4: Representation of the atomic model of the surface slab terminations.

From: Multiscale modeling of metal-hydride interphases—quantification of decoupled chemo-mechanical energies

Fig. 4

Gray: Fe; white: Ti; blue: H atoms. a (110)α, (b) (001)α, (c) (010)β, (d) (001)β, and (e) (100)β. Horizontal dashed lines represent the transverse section cut that leads to a given termination (see the text for a detailed explanation). Terminations containing hydrogen are represented by blue text.

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