Fig. 4 | npj Computational Materials

Fig. 4

From: Screw dislocation structure and mobility in body centered cubic Fe predicted by a Gaussian Approximation Potential

Fig. 4

Energy barrier as function of applied stress. a NEB calculations of the enthalpy difference as a function of the reaction coordinate ξ of the NEB computations for different values of the applied stress. b Barrier height (from the NEB data, markers colored according to a) as a function of applied stress, the line tension (LT) model by Dorn and Rajnak,26 and a Kocks’ law with exponents p = 0.77 and q = 1.3

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