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Transport properties of C and O in UN fuels
KTH, Skolan för teknikvetenskap (SCI), Fysik, Reaktorfysik.
KTH, Skolan för teknikvetenskap (SCI), Fysik, Reaktorfysik.ORCID-id: 0000-0002-2381-3309
(Engelska)Manuskript (preprint) (Övrigt vetenskapligt)
Nationell ämneskategori
Den kondenserade materiens fysik
Identifikatorer
URN: urn:nbn:se:kth:diva-202550OAI: oai:DiVA.org:kth-202550DiVA, id: diva2:1077328
Anmärkning

QC 20170228

Tillgänglig från: 2017-02-27 Skapad: 2017-02-27 Senast uppdaterad: 2017-02-28
Ingår i avhandling
1. Multiscale modeling of nitride fuels
Öppna denna publikation i ny flik eller fönster >>Multiscale modeling of nitride fuels
2016 (Engelska)Doktorsavhandling, sammanläggning (Övrigt vetenskapligt)
Abstract [en]

Nitride fuels have always been considered a good candidate for GENIV reactors, as well as space reactors, due to their high fissile density, highthermal conductivity and high melting point. In these concepts, not beingcompatible with water is not a significant problem. However, in recent years,nitride fuels started to raise an interest for application in thermal reactors,as accident tolerant or high performance fuels. However, oxide fuels havebenefited from decades of intensive research, and thousands of reactor-years.As such, a large effort has to be made on qualifying the fuel and developingtools to help assess their performances.In this thesis, the modeling side of this task is chosen. The effort istwo-fold: determining fundamental properties using atomistic models andputting together all the properties to predict the performances under irradi-ation using a fuel performance code. The first part is done combining manyframeworks. The density functional theory is the basis to compute the elec-tronic structure of the materials, to which a Hubbard correction is added tohandle the strong correlation effects. Negative side effects of the Hubbardcorrection are tackled using the so-called occupation matrix control method.This combined framework is first tested, and then used to find electronic andmechanic properties of the bulk material as well as the thermomechanicalbehavior of foreign atoms. Then, another method, the self-consistent meanfield (SCMF) one, is used to reach the dynamics properties of these foreignatoms. In the SCMF theory, the data that were obtained performing the abinitio simulations are treated to provide diffusion and kinetic flux couplingproperties.In the second step of the work, the fuel performance code TRANSURA-NUS is used to model complete fuel pins. An athermal fission gas releasemodel based on the open porosity is developed and tested on oxide fuels.A model for nitride fuels is introduced, and some correlations are bench-marked. Major issues remaining are pointed out and recommendations asto how to solve them are made.

Ort, förlag, år, upplaga, sidor
Stockholm: KTH Royal Institute of Technology, 2016. s. 107
Serie
TRITA-FYS, ISSN 0280-316X ; 73
Nyckelord
Uranium Nitride Ab Initio Modelling
Nationell ämneskategori
Annan fysik
Forskningsämne
Fysik
Identifikatorer
urn:nbn:se:kth:diva-202538 (URN)978-91-7729-182-4 (ISBN)
Disputation
2016-12-16, F3, Valhallavägen 79, Stockholm, 09:30 (Engelska)
Opponent
Handledare
Anmärkning

QC 20170227

Tillgänglig från: 2017-02-27 Skapad: 2017-02-26 Senast uppdaterad: 2017-02-27Bibliografiskt granskad

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Olsson, Pär

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Adorno Lopes, DeniseClaisse, AntoineOlsson, Pär
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ReaktorfysikKTH
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