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Intercalation and diffusion

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Allnatt A R, Lidiard A B, Statistical theories of atomic transport in crystalline solids, RPP 50, 373 (1987)


D Knez, C Gspan, N Simic, S Mitsche, H Fitzek, K Gatterer, H Wiltsche, G Kothleitner, W Grogger, F Hofer, Three-dimensional distribution of individual atoms in the channels of beryl, Commun Mater 5, 19 (2024) – doi

Domain C, Becquart C S, Diffusion of phosphorus in a-Fe: An ab initio study, PRB 71, 214109 (2005)

Sholl C A, Diffusivity for diffusion between e and g interstitial sites in the C15 AB2 structure, JPC 17, 1329 (2005)

Zepeda-Ruiz L A, Rottler J, Han S, Ackland G J, Car R, Srolovitz D J, Strongly non-Arrhenius self-interstitial diffusion in vanadium, PRB 70, 060102(R) (2004)

Jiang D E, Carter E A, Diffusion of interstitial hydrogen into and through bcc Fe from first principles, PRB 70, 064102 (2004)

Haley B P, Gronbech-Jensen N, Vacancy assisted arsenic diffusion and time dependent clustering effects in silicon, cond-mat/0412501

El-Mellouhi F, Mousseau N, Ordejon P, Sampling the diffusion paths of a neutral vacancy in silicon with quantum mechanical calculations, PRB 70, 205202 (2004)

Rarivomanantsoa M, Jund P, Jullien R, Sodium diffusion through amorphous silica surfaces: A molecular dynamics study, cond-mat/0312279

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Le Bouar Y, Soisson F, Kinetic pathways from embedded-atom-method potentials: Influence of the activation barriers, PRB 65, 094103 (2002)

Su Y-S, Pantelides S T, Diffusion mechanism of hydrogen in amorphous silicon: ab initio molecular dynamics simulation, PRL 88, 165503 (2002)

Mainzer N, Zolotoyabko E, Percolation problem in atomic transport in Hg1-xCdxTe, PRB 60, 16715 (1999)