Fig. 4: Mapping of the surface dislocation nucleation energy and rate for an MgO nanocube at ε = 11%.
From: Site dependence of surface dislocation nucleation in ceramic nanoparticles
a, b show the 0 K activation energy ΔE as function of the initial and relaxed nucleation centre positions, respectively yi/L and yc/L. Both plots consider only one slip system S1 on each face. c, d show the cumulative dislocation nucleation rate log10(kS1 + kS2) calculated using Eq. (1), respectively, at T = 300 and 1000 K. Both orthogonal slip systems S1 and S2 are considered on each face. The black grid shows the NEB calculation mesh. Forbidden sites are marked as hatched domains.
