Search results for "Diffusion transport"
showing 3 items of 3 documents
Semi-empirical simulations of F-center diffusion in KCl crystals
1997
Abstract The semi-empirical method and 224 atom quantum clusters were used for calculating the activation energy for diffusion of cation and anion vacancies and F-centers in KCl crystals. The relevant activation energies of 1.19 eV, 1.44 eV and 1.64 eV, respectively agree well with the experimental data.
Analysis of the Diffusion-Induced Stress Effect on the Oxidation in Finely Divided Vanadium Ferrites
1999
L'oxydation isotherme des cations fer(II), vanadium(II) et vanadium(III) pour les ferrites spinelles finement divises, lesquels sont oxydes en phases deficitaires en cations, a ete etudiee par thermogravimetrie. La faible temperature de cinetique d'oxydation de chaque cation oxydable a ete expliquee en considerant que l'oxydation genere des contraintes qui en modifie la cinetique ou les cations a la surface sont plus oxydes que dans le volume. Pour cela, il at ete considere que le coefficient de diffusion chimique est donne par la relation D = D 0 exp [-(E' a + pV a )/RT] ou D 0 represente le facteur pre-exponentiel, E' a l'energie d'activation, V a le volume d'activation et p la pression i…
Theoretical simulations of I-center annealing in KCl crystals
1995
Abstract This paper focus on theory of diffusion-controlled annealing of the most mobile radiation-induced defects—I centers—in KCl crystals. The kinetics of annealing of pairs of close oppositely charged defects—α-I centers (arising as a result of the tunnelling recombination of primary Frenkel defects—F and H centers) and F-I centers (when H center trap electrons) is calculated taking into account defect diffusion and Coulomb/elastic interaction. Special attention is paid to the conditions under which multi-stage annealing arises; theoretical results are compared with the relevant experimental data.