Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Interaction Energy Calculations of Edge Dislocation with Point Defects in FCC Cu
KTH, School of Engineering Sciences (SCI), Physics, Reactor Physics.
KTH, School of Engineering Sciences (SCI), Physics, Reactor Physics.ORCID iD: 0000-0002-2381-3309
KTH, School of Engineering Sciences (SCI), Physics, Reactor Physics.
2013 (English)Conference paper, Poster (with or without abstract) (Refereed)
Abstract [en]

In order to improve the dislocation bias (DB) model of swelling under irradiation, a large scale of atomistic simulation of the interaction in face centered cubic (FCC) Cu model lattice between an edge dislocation (ED) and point defects such as a vacancy, a self-interstital atom (SIA) have been performed for various configurations. It is found dislocation core splits into partial cores after energy relaxation. Interactions with any SIA conficurations is one order of magnitute larger than with a vacancy. The reason that SIA creats a larger dilatation volumn than the vacancy is directly observed from calculation. Furthurmore, within the interaction range, an octahedron position rather than dumbbell in <100> direction is observed in the stable state after relaxation in interactions between a edge dislocation and a dumbbell SIA. Comparision of interaction energy in analytical and atomistic calculation shows that analytical one has a stronger interaction in vacancy-ED systems, suggesting that the bias factor (BF) from analytical calculation is larger than from atomistic calculation.

Place, publisher, year, edition, pages
2013.
National Category
Atom and Molecular Physics and Optics
Identifiers
URN: urn:nbn:se:kth:diva-122396OAI: oai:DiVA.org:kth-122396DiVA: diva2:622106
Conference
International Conference on Fast Reactors and Related Fuel Cycles: Safe Technologies and Sustainable Scenarios (FR13)
Projects
Generation IV reactor research and development (GENIUS)
Note

QC 20130530

Available from: 2013-05-20 Created: 2013-05-20 Last updated: 2013-05-30Bibliographically approved
In thesis
1. Modelling of Dislocation Bias in FCC Materials
Open this publication in new window or tab >>Modelling of Dislocation Bias in FCC Materials
2013 (English)Licentiate thesis, comprehensive summary (Other academic)
Abstract [en]

Irradiation induced void swelling is problematic for the application of austenitic steels under high dose irradiation. In this thesis, the swelling is characterized by dislocation bias. The dislocation bias is obtained using the finite element method, accounting for fcc copper and nickel under electron irradiation. The methodology is implemented with the interaction energies between an edge dislocation and point defects. Analytically derived interaction energies, which are based on elasticity theory, are compared with interaction energies obtained from atomistic model using semi-empirical atomic potentials as physics basis. The comparison shows that the description of analytical interaction energies is inaccurate in the dislocation core regions. The bias factor dependence on dislocation density and temperature is presented and discussed. At high temperatures or low dislocation densities, the two approaches tend to converge. However, the dislocation bias based on the interaction energies from the two approaches, reveals larger discrepancy for nickel than for copper. The impact on dislocation bias from the different stacking fault energies of copper and nickel is elaborated. Nickel, which has a larger stacking fault energy, is predicted to have larger swelling rate than copper under the same irradiation conditions.

Place, publisher, year, edition, pages
Stockholm: KTH Royal Institute of Technology, 2013. p. viii, 33
Series
Trita-FYS, ISSN 0280-316X ; 2013:20
National Category
Atom and Molecular Physics and Optics
Identifiers
urn:nbn:se:kth:diva-122407 (URN)978-91-7501-785-3 (ISBN)
Presentation
2013-06-12, FA31, Roslagstullsbacken 21, Stockholm, 10:15 (English)
Opponent
Supervisors
Note

QC 20130530

Available from: 2013-05-30 Created: 2013-05-20 Last updated: 2013-06-25Bibliographically approved

Open Access in DiVA

fulltext(2527 kB)650 downloads
File information
File name FULLTEXT01.pdfFile size 2527 kBChecksum SHA-512
7c362dcde3ba17ec2cf245e2146d25d829d93d165ccdcff4658051d644fff90db47763c8c6375e356d8d8429b7cfb4dec0274317f4ae4b256497e4862e07f5f8
Type fulltextMimetype application/pdf

Search in DiVA

By author/editor
Chang, ZhongwenOlsson, PärSandberg, Nils
By organisation
Reactor Physics
Atom and Molecular Physics and Optics

Search outside of DiVA

GoogleGoogle Scholar
Total: 650 downloads
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

urn-nbn

Altmetric score

urn-nbn
Total: 126 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf