Fig. 4: Comparison of calculated and experimental hydrogen-diffusion coefficients in Ni–Mn alloys. | Communications Materials

Fig. 4: Comparison of calculated and experimental hydrogen-diffusion coefficients in Ni–Mn alloys.

From: Predicting hydrogen diffusion in nickel–manganese random alloys using machine learning interatomic potentials

Fig. 4

a–c Relationship between annealing time and mean squared displacement (MSD) of hydrogen in a Ni, b Ni–10.0 at.% Mn, and c Ni–25.0 at.% Mn. d Arrhenius plots of hydrogen diffusion coefficients versus 1/kBT for these three systems. e, f Comparison of calculated and experimental effects of Mn content on e activation energy and f pre-exponential factor for hydrogen diffusion in Ni. Experimental results reported by Omura et al.42, Katz et al.87, and Völkl et al.88 are shown for reference.

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