Rapid local diffusion of hydrogen in niobium revealed by a molecular-dynamics study
- 16 August 1993
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 71 (7) , 1031-1034
- https://doi.org/10.1103/physrevlett.71.1031
Abstract
Molecular-dynamics simulations for hydrogen diffusion in Nb are performed at high temperatures (T=450 K and T=580 K). Two key experimental observations are reproduced by our model; the strong deviations from simple jump diffusion behavior and the ‘‘anomalous Debye-Walker’’ factor. The simulation reveals a rapid local-diffusion motion, predominantly confined to the so-called 4T configuration. The time scale for this motion is found to be of the order 100–200 fs.This publication has 12 references indexed in Scilit:
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