Fig. 4: Density Functional Theory (DFT) calculations of the total misfit energy and the Peierls stress. | Nature Communications

Fig. 4: Density Functional Theory (DFT) calculations of the total misfit energy and the Peierls stress.

From: Oxygen vacancy-induced strengthening and toughening in (K,Na)NbO3-based piezoceramics revealed via nanoindentation

Fig. 4

a The DFT models of KNLNST and KNLNST with oxygen vacancies. b The local misfit energy, c restoring force, and d total misfit energy of KNLNST and KNLNST with oxygen vacancies. S(x)/|b| represents the shear displacement divided by the lengths of burgers vector (b). u is the position of the edge dislocation core. a is the periodicity of W(u).

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