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Dynamical Theory of Hydrogen Diffusion in Cubic Metals
Author(s) -
Lepski D.
Publication year - 1969
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.19690350219
Subject(s) - diffusion , hydrogen , inverse , activation energy , work (physics) , quantum , impurity , transition state theory , exponential function , diffusion theory , thermodynamics , quantum mechanics , physics , chemistry , materials science , kinetics , mathematics , reaction rate constant , mathematical analysis , geometry
Starting from a criticism of the classical rate theory for diffusion processes and its quantum derivatives a dynamical theory for the diffusion of light interstitial impurities in crystals based on Kubo's work is derived and applied to an one‐dimensional model for hydrogen diffusion in cubic metals. It appears that hydrogen diffusion in the b.c.c. metals must be treated quantum mechanically in a band model, whereas for f.c.c. metals a classical theory seems more suitable. In the quantum (b.c.c.) case we obtain a remarkable isotope effect in the activation energy, which depends strongly on the model potential used, and a pre‐exponential factor, D 0 , approximately proportional to the inverse of the particle mass.