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Fig. 4 | Progress in Earth and Planetary Science

Fig. 4

From: Hydrogen mobility in transition zone silicates

Fig. 4

Trajectory of the H atoms for the Mg < = > 2H defect during about 35 ps. A structural fragment of 4 × 2 × 2 unit cells is represented; on the right half all the atoms except for H are omitted for clarity. The example shown here is for a simulation at 2500 K with two defects in a 2 × 2 × 2 primitive supercell. Pink, yellow, and red represent respectively the Mg, Si, and O atoms. The unit cell is outlined with dashed line

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