Collision cascades overlapping with self-interstitial defect clusters in Fe and W

J Byggmästar, F Granberg, A E Sand, A Pirttikoski, Rebecca Alexander, M. C. Marinica, K Nordlund

Research output: Contribution to journalArticleScientificpeer-review

Abstract

Overlap of collision cascades with previously formed defect clusters become increasingly likely at radiation doses typical for materials in nuclear reactors. Using molecular dynamics, we systematically investigate the effects of different pre-existing self-interstitial clusters on the damage produced by an overlapping cascade in bcc iron and tungsten. We find that the number of new Frenkel pairs created in direct overlap with an interstitial cluster is reduced to essentially zero, when the size of the defect cluster is comparable to that of the disordered cascade volume. We develop an analytical model for this reduced defect production as a function of the spatial overlap between a cascade and a defect cluster of a given size. Furthermore, we discuss cascade-induced changes in the morphology of self-interstitial clusters, including transformations between 1/2<111> and <100> dislocation loops in iron and tungsten, and between C15 clusters and dislocation loops in iron. Our results provide crucial new cascade-overlap effects to be taken into account in multi-scale modelling of radiation damage in bcc metals.
Original languageEnglish
Article number245402
JournalJournal of Physics. Condensed Matter
Volume31
Issue number24
Number of pages15
ISSN0953-8984
DOIs
Publication statusPublished - 19 Jun 2019
MoE publication typeA1 Journal article-refereed

Fields of Science

  • ALPHA-FE
  • DEPENDENCE
  • HEAVY-ION DAMAGE
  • IRON
  • IRRADIATION
  • LOOPS
  • MOLECULAR-DYNAMICS
  • RADIATION-DAMAGE ACCUMULATION
  • TRANSITION
  • TUNGSTEN
  • cascade overlap
  • dislocation loop
  • iron
  • molecular dynamics
  • tungsten
  • 114 Physical sciences

Cite this

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title = "Collision cascades overlapping with self-interstitial defect clusters in Fe and W",
abstract = "Overlap of collision cascades with previously formed defect clusters become increasingly likely at radiation doses typical for materials in nuclear reactors. Using molecular dynamics, we systematically investigate the effects of different pre-existing self-interstitial clusters on the damage produced by an overlapping cascade in bcc iron and tungsten. We find that the number of new Frenkel pairs created in direct overlap with an interstitial cluster is reduced to essentially zero, when the size of the defect cluster is comparable to that of the disordered cascade volume. We develop an analytical model for this reduced defect production as a function of the spatial overlap between a cascade and a defect cluster of a given size. Furthermore, we discuss cascade-induced changes in the morphology of self-interstitial clusters, including transformations between 1/2<111> and <100> dislocation loops in iron and tungsten, and between C15 clusters and dislocation loops in iron. Our results provide crucial new cascade-overlap effects to be taken into account in multi-scale modelling of radiation damage in bcc metals.",
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author = "J Byggm{\"a}star and F Granberg and Sand, {A E} and A Pirttikoski and Rebecca Alexander and Marinica, {M. C.} and K Nordlund",
year = "2019",
month = "6",
day = "19",
doi = "10.1088/1361-648X/ab0682",
language = "English",
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Collision cascades overlapping with self-interstitial defect clusters in Fe and W. / Byggmästar, J; Granberg, F; Sand, A E; Pirttikoski, A; Alexander, Rebecca; Marinica, M. C.; Nordlund, K.

In: Journal of Physics. Condensed Matter, Vol. 31, No. 24, 245402, 19.06.2019.

Research output: Contribution to journalArticleScientificpeer-review

TY - JOUR

T1 - Collision cascades overlapping with self-interstitial defect clusters in Fe and W

AU - Byggmästar, J

AU - Granberg, F

AU - Sand, A E

AU - Pirttikoski, A

AU - Alexander, Rebecca

AU - Marinica, M. C.

AU - Nordlund, K

PY - 2019/6/19

Y1 - 2019/6/19

N2 - Overlap of collision cascades with previously formed defect clusters become increasingly likely at radiation doses typical for materials in nuclear reactors. Using molecular dynamics, we systematically investigate the effects of different pre-existing self-interstitial clusters on the damage produced by an overlapping cascade in bcc iron and tungsten. We find that the number of new Frenkel pairs created in direct overlap with an interstitial cluster is reduced to essentially zero, when the size of the defect cluster is comparable to that of the disordered cascade volume. We develop an analytical model for this reduced defect production as a function of the spatial overlap between a cascade and a defect cluster of a given size. Furthermore, we discuss cascade-induced changes in the morphology of self-interstitial clusters, including transformations between 1/2<111> and <100> dislocation loops in iron and tungsten, and between C15 clusters and dislocation loops in iron. Our results provide crucial new cascade-overlap effects to be taken into account in multi-scale modelling of radiation damage in bcc metals.

AB - Overlap of collision cascades with previously formed defect clusters become increasingly likely at radiation doses typical for materials in nuclear reactors. Using molecular dynamics, we systematically investigate the effects of different pre-existing self-interstitial clusters on the damage produced by an overlapping cascade in bcc iron and tungsten. We find that the number of new Frenkel pairs created in direct overlap with an interstitial cluster is reduced to essentially zero, when the size of the defect cluster is comparable to that of the disordered cascade volume. We develop an analytical model for this reduced defect production as a function of the spatial overlap between a cascade and a defect cluster of a given size. Furthermore, we discuss cascade-induced changes in the morphology of self-interstitial clusters, including transformations between 1/2<111> and <100> dislocation loops in iron and tungsten, and between C15 clusters and dislocation loops in iron. Our results provide crucial new cascade-overlap effects to be taken into account in multi-scale modelling of radiation damage in bcc metals.

KW - ALPHA-FE

KW - DEPENDENCE

KW - HEAVY-ION DAMAGE

KW - IRON

KW - IRRADIATION

KW - LOOPS

KW - MOLECULAR-DYNAMICS

KW - RADIATION-DAMAGE ACCUMULATION

KW - TRANSITION

KW - TUNGSTEN

KW - cascade overlap

KW - dislocation loop

KW - iron

KW - molecular dynamics

KW - tungsten

KW - 114 Physical sciences

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SN - 0953-8984

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