Fig. 5 | npj Computational Materials

Fig. 5

From: An electrostatic spectral neighbor analysis potential for lithium nitride

Fig. 5

a Constructed simulation box with twist Σ7 [0001] GBs. b Trajectories for selected Li ions in the box with twist GBs in 0.5 ns. Li ions on the left lie in the bulk region, and the ones on the right are close to one of the GBs. c MSD (by components) vs. time plot for Li ions located at the twist GBs only (bulk Li ions are excluded). The z direction is perpendicular to the GBs. Diffusivity is computed within the 2D GB plane

Back to article page