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Helium in CERMET fuel - binding energies and diffusion
KTH, School of Engineering Sciences (SCI), Physics, Reactor Physics.
2009 (English)Licentiate thesis, comprehensive summary (Other academic)
Abstract [en]

This thesis presents a first principle approach to model helium diffusionand retention in molybdenum. Results from electron structure calculations within the framework of density functional theory are used to assess parameters in a rate theory model. The model is used to reproduce experimental desorption spectra, which, to a large degree of accuracy, coincide with experimental data in temperature regions relevant for nuclear fuel applications. The models indicate that produced helium will diffuse out into the fuel pin during operation. However, some helium will be trapped in molybdenum vacancies. The amount of trapped helium will largely depend on the fuel operational temperature.

Data presented in the thesis is a first step towards a self consistent dataset of first principle data on helium diffusion in CERMET fuel, one candidate fuel suggested for transmutation of nuclear waste. To realise the use of CERMET fuel, modelling of fuel performance is essential, and to accomplish this, the understanding of helium diffusion and retention in molybdenum is one important aspect.

 

Place, publisher, year, edition, pages
Stockholm: KTH , 2009. , 33 p.
Series
Trita-FYS, ISSN 0280-316X ; 2009:27
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:kth:diva-10933ISBN: 978-91-7415-353-5 OAI: oai:DiVA.org:kth-10933DiVA: diva2:232721
Presentation
2009-08-21, Sal FA31, AlbaNova, Roslagstullsbacken 21, Stockholm, 10:00 (English)
Opponent
Supervisors
Available from: 2009-08-25 Created: 2009-08-25 Last updated: 2010-11-02Bibliographically approved
List of papers
1. Helium transport in a CERMET fuel matrix
Open this publication in new window or tab >>Helium transport in a CERMET fuel matrix
2009 (English)In: Proceedings of Actinide and Fission Product Partitioning and Transmutation - Tenth Information Exchange Meeting, 2009, 2009Conference paper, Published paper (Refereed)
National Category
Condensed Matter Physics
Identifiers
urn:nbn:se:kth:diva-10932 (URN)
Conference
Actinide and Fission Product Partinioning and Transmutation : 10th Information Exchange Meeting, Mito, Japan, October 6-10, 2008
Note
QC 20101102Available from: 2009-08-25 Created: 2009-08-25 Last updated: 2010-11-02Bibliographically approved
2. Helium cluster dissolution in molybdenum
Open this publication in new window or tab >>Helium cluster dissolution in molybdenum
2009 (English)In: Journal of Physics: Condensed Matter, ISSN 0953-8984, E-ISSN 1361-648X, Vol. 21, no 33, 335401- p.Article in journal (Refereed) Published
Abstract [en]

Helium retention and diffusion in molybdenum is studied on an atomistic scale with ab initio methods. The thermal stability of helium–vacancy clusters is quantified within the framework of density functional theory. Calculated helium emission rates are used to derive a desorption spectrum which is compared with experimental results. The agreement between the current calculations and available experiments is satisfactory except in the high temperature end of the spectrum. The current results indicate that above 1100 K He migration is assisted by lattice defects such as vacancies, rather than through interstitial diffusion.

Keyword
Ab initio, Atomistic scale, Desorption spectra, Helium clusters, Helium emissions, Helium retention, Helium-vacancy clusters, High temperature, Interstitial diffusion, Lattice defects, Thermal stability
National Category
Condensed Matter Physics
Identifiers
urn:nbn:se:kth:diva-10920 (URN)10.1088/0953-8984/21/33/335401 (DOI)000268413300014 ()2-s2.0-70349097246 (Scopus ID)
Note
QC 20101101Available from: 2009-08-24 Created: 2009-08-19 Last updated: 2017-12-13Bibliographically approved

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