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Diffusion of hydrogen in transition metals

Schober, HR; Stoneham, AM; (1991) Diffusion of hydrogen in transition metals. In: Journal of The Less-Common Metals. (pp. 538 - 547). Elsevier Science Green open access

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Abstract

The mobility of interstitial atoms is closely correlated with their vibrational behaviour. Not only can the classical (hopping) activation energy be evaluated with good accuracy from the vibrational spectrum, but also low temperature tunnelling rates are strongly related to vibrations. Because of their small mass interstitial hydrogen atoms constitute an ideal probe to study this correlation over a large temperature range (0 K < T < 300 K). Hydrogen atoms vibrate mainly with localized (optical) modes but also with strongly distorted lattice vibrations (short-wavelength acoustic modes). These vibrations lead to a "dressing" of the tunnelling element. More interesting, they determine the temperature dependence of the diffusion constant (at low temperatures together with electronic terms). Using a realistic description of the vibrations as input we calculate the diffusion constants quantitatively. We present results for hydrogen in niobium and in lutetium.

Type: Proceedings paper
Title: Diffusion of hydrogen in transition metals
Event: International Symposium on Metal-Hydrogen Systems, Fundamentals and Applications
Location: BANFF, CANADA
Dates: 1990-09-02 - 1990-09-07
Open access status: An open access version is available from UCL Discovery
DOI: 10.1016/0022-5088(91)90174-3
Publisher version: http://dx.doi.org/10.1016/0022-5088(91)90174-3
Language: English
Additional information: Text made available to UCL Discovery by kind permission of Elsevier B.V., 2012
Keywords: QUANTUM-MECHANICAL CALCULATIONS, LIGHT INTERSTITIALS, BCC METALS, NIOBIUM, NB, TANTALUM, TA, TEMPERATURES, DEPENDENCE, LUTETIUM
UCL classification: UCL > School of BEAMS > Faculty of Maths and Physical Sciences > London Centre for Nanotechnology
URI: http://discovery.ucl.ac.uk/id/eprint/59620
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