Dislocation bias factors in fcc copper derived from atomistic calculations
2013 (English)In: Journal of Nuclear Materials, ISSN 0022-3115, E-ISSN 1873-4820, Vol. 441, no 1-3, 357-363 p.Article in journal (Refereed) Published
Atomistic calculations were employed in order to calculate the interaction energy of an edge dislocation with different point defects. The bias factor was calculated by applying a finite element method on the interaction energy landscapes obtained from the atomistic calculations. A comparison of the calculated bias factor with a model based on elasticity theory reveals around 30% discrepancy under conditions representative for electron irradiation at 600 degrees C. Possible reasons are discussed. The bias factor dependence on dislocation density and ambient temperature is presented and discussed.
Place, publisher, year, edition, pages
Elsevier, 2013. Vol. 441, no 1-3, 357-363 p.
Atomistic calculations, Bias factor, Dislocation densities, Elasticity theory, Interaction energies, Model-based OPC
Atom and Molecular Physics and Optics
IdentifiersURN: urn:nbn:se:kth:diva-122390DOI: 10.1016/j.jnucmat.2013.06.029ISI: 000325447600046ScopusID: 2-s2.0-84880375938OAI: oai:DiVA.org:kth-122390DiVA: diva2:622099
ProjectsGeneration IV reactor research and development (GENIUS)
QC 201307182013-05-202013-05-202015-04-01Bibliographically approved