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. 2018 Jan 29;8(10):5255–5267. doi: 10.1039/c7ra12690e

Fig. 8. Variance height of atoms on the surface versus time when the charge on the atoms of the surface is (a) −1e. The variance starts to decrease at 103 ps because a short circuit is produced; the peak cannot grow further but the valley does and that decreases the variance. (b) −0.537e. The variance increases more than in any other case because the growth is less uniform, and the variance can continue growing after the short circuit. (c) −88μe. The variance increases almost linearly up to roughly a steady value but at slow growth. Since this case is not as accelerated as the previous one, it would have to extend the simulation for larger times to see the results of the previous case when the charge in the atoms on the surface is −0.537e (d) distributed. The variance strongly increases but it is slow when compared with the cases in which the charge of the atoms on the surface is constant. No other cases for distributed charges is done since the other cases we tried were discouraging when compared to the cases when the surface atoms had constant charge. Height of the highest atom of the dendrite versus time, when the charge on the surface is (e) −1e. (f) −0.537e. (g) −88μe. Due to the low charge, the lithium dendrite formation occurs on a smaller scale but still is clearly observable. (h) Distributed charges. (i) Dendrite growth pressure versus time, when the charge on the surface is −1e. In this case, the highest pressure is obtained, but since this case was performed only to verify the operation of this protocol, this value will not be considered as a reference of the pressure in a real case. (j) Dendrite growth pressure versus time, when the charge on the surface is −0.537e. This case obtained pressures close to 6 GPa, and since this case is a way to accelerate what would happen in a real battery this magnitude of pressures could happen in a real case. (k) Dendrite growth pressure versus time when the charge on the surface is −88μe. This pressure is the smallest, but it is only the initial pressure that occurs when the dendrite starts to form; thus, this value between 0.4 GPa and 1 GPa can vary greatly if the simulation continues for much longer time. (l) Dendrite growth pressure versus time when the charge on the surface is not uniform.

Fig. 8