Fig. 3: Schematic image of the β hydride formation in the α matrix. | npj Computational Materials

Fig. 3: Schematic image of the β hydride formation in the α matrix.

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

Fig. 3

a Indication of the orientation of the β hydride in relation to six α phase unit-cells from the viewpoint of their (001)α∥(001)β common plane (note that the representation of the β-phase unit cell as a yellow square is deformed to fit the α-matrix); (b) A single unit-cell of a α-phase with indications of the interface plane (110)α in green and the (001)α plane in yellow; (c) A single unit-cell of the β-phase and the indication of the interface plane (100)β in green and a common plane (001)β in yellow. Gray: Fe atoms; white: Ti atoms; cyan: H atoms.

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