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
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.
Place, publisher, year, edition, pages
2009. Vol. 21, no 33, 335401- p.
Ab initio, Atomistic scale, Desorption spectra, Helium clusters, Helium emissions, Helium retention, Helium-vacancy clusters, High temperature, Interstitial diffusion, Lattice defects, Thermal stability
Condensed Matter Physics
IdentifiersURN: urn:nbn:se:kth:diva-10920DOI: 10.1088/0953-8984/21/33/335401ISI: 000268413300014ScopusID: 2-s2.0-70349097246OAI: oai:DiVA.org:kth-10920DiVA: diva2:232014
QC 201011012009-08-242009-08-192012-03-12Bibliographically approved