Fig. 6: Kinetic model and coefficients. | npj Computational Materials

Fig. 6: Kinetic model and coefficients.

From: Finite-temperature screw dislocation core structures and dynamics in α-titanium

Fig. 6

a Schematic of the energy landscape for the i(κ)j event. Fi and Fj are the free energies of the i and j cores; ΔFij = Fj − Fi and ΔFij = 0. \({F}_{i(\kappa )j}^{{{{\rm{b}}}}}\) is the total free energy barrier and Qi(κ)j is the intrinsic barrier for i(κ)j. b ηi(κ)j (Equation (12)) vs. inverse temperature. c ηi(κ)i (Equation (12) for glide events) vs. the inverse temperature. In b and c, symbols and solid lines denote MD data and fitting results (Equations (12) and (13)).

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