Simulation of the interaction between an edge dislocation and a 〈1 0 0〉 interstitial dislocation loop in α-iron

D. Terentyev; P. Grammatikopoulos; D. J. Bacon; Yu N. Osetsky

doi:10.1016/j.actamat.2008.06.032

Simulation of the interaction between an edge dislocation and a 〈1 0 0〉 interstitial dislocation loop in α-iron

D. Terentyev, P. Grammatikopoulos, D. J. Bacon, Yu N. Osetsky

Microstructural Evolution Modeling

Research output: Contribution to journal › Article › peer-review

128 Scopus citations

Abstract

Atomic-level simulations are used to investigate the interaction of an edge dislocation with 〈1 0 0〉 interstitial dislocation loops in α-iron at 300 K. Dislocation reactions are studied systematically for different loop positions and Burgers vector orientations, and results are compared for two different interatomic potentials. Reactions are wide-ranging and complex, but can be described in terms of conventional dislocation reactions in which Burgers vector is conserved. The fraction of interstitials left behind after dislocation breakaway varies from 25 to 100%. The nature of the reactions requiring high applied stress for breakaway is identified. The obstacle strengths of 〈1 0 0〉 loops, 1/2〈1 1 1〉 loops and voids containing the same number (169) of point defects are compared. 〈1 0 0〉 loops with Burgers vector parallel to the dislocation glide plane are slightly stronger than 〈1 0 0〉 and 1/2〈1 1 1〉 loops with inclined Burgers vector: voids are about 30% weaker than the stronger loops. However, small voids are stronger than small 1/2〈1 1 1〉 loops. The complexity of some reactions and the variety of obstacle strengths poses a challenge for the development of continuum models of dislocation behaviour in irradiated iron.

Original language	English
Pages (from-to)	5034-5046
Number of pages	13
Journal	Acta Materialia
Volume	56
Issue number	18
DOIs	https://doi.org/10.1016/j.actamat.2008.06.032
State	Published - Oct 2008

Funding

This work was performed in the framework of the 7th Framework Programme collaborative project GETMAT, partially supported by the European Commission, Grant Agreement No. 212175. It was also supported by grant GR/S81162/01 from the UK Engineering and Physical Sciences Research Council; grant F160-CT-2003-508840 (“PERFECT”) under programme EURATOM FP-6 of the European Commission; and partly by the Division of Materials Sciences and Engineering and the Office of Fusion Energy Sciences, US Department of Energy, under contract DE-AC05-00OR22725 with UT-Battelle, LLC.

Funders	Funder number
U.S. Department of Energy	DE-AC05-00OR22725
Fusion Energy Sciences
Seventh Framework Programme	212175
Division of Materials Sciences and Engineering
Engineering and Physical Sciences Research Council	F160-CT-2003-508840
European Commission	GR/S81162/01

Keywords

Dislocation loop
Edge dislocation
Iron
Molecular dynamics

Access to Document

10.1016/j.actamat.2008.06.032

Cite this

@article{0232d2c617e242709dd0be660fd7a701,

title = "Simulation of the interaction between an edge dislocation and a 〈1 0 0〉 interstitial dislocation loop in α-iron",

abstract = "Atomic-level simulations are used to investigate the interaction of an edge dislocation with 〈1 0 0〉 interstitial dislocation loops in α-iron at 300 K. Dislocation reactions are studied systematically for different loop positions and Burgers vector orientations, and results are compared for two different interatomic potentials. Reactions are wide-ranging and complex, but can be described in terms of conventional dislocation reactions in which Burgers vector is conserved. The fraction of interstitials left behind after dislocation breakaway varies from 25 to 100%. The nature of the reactions requiring high applied stress for breakaway is identified. The obstacle strengths of 〈1 0 0〉 loops, 1/2〈1 1 1〉 loops and voids containing the same number (169) of point defects are compared. 〈1 0 0〉 loops with Burgers vector parallel to the dislocation glide plane are slightly stronger than 〈1 0 0〉 and 1/2〈1 1 1〉 loops with inclined Burgers vector: voids are about 30% weaker than the stronger loops. However, small voids are stronger than small 1/2〈1 1 1〉 loops. The complexity of some reactions and the variety of obstacle strengths poses a challenge for the development of continuum models of dislocation behaviour in irradiated iron.",

keywords = "Dislocation loop, Edge dislocation, Iron, Molecular dynamics",

author = "D. Terentyev and P. Grammatikopoulos and Bacon, {D. J.} and Osetsky, {Yu N.}",

year = "2008",

month = oct,

doi = "10.1016/j.actamat.2008.06.032",

language = "English",

volume = "56",

pages = "5034--5046",

journal = "Acta Materialia",

issn = "1359-6454",

publisher = "Elsevier",

number = "18",

}

TY - JOUR

T1 - Simulation of the interaction between an edge dislocation and a 〈1 0 0〉 interstitial dislocation loop in α-iron

AU - Terentyev, D.

AU - Grammatikopoulos, P.

AU - Bacon, D. J.

AU - Osetsky, Yu N.

PY - 2008/10

Y1 - 2008/10

N2 - Atomic-level simulations are used to investigate the interaction of an edge dislocation with 〈1 0 0〉 interstitial dislocation loops in α-iron at 300 K. Dislocation reactions are studied systematically for different loop positions and Burgers vector orientations, and results are compared for two different interatomic potentials. Reactions are wide-ranging and complex, but can be described in terms of conventional dislocation reactions in which Burgers vector is conserved. The fraction of interstitials left behind after dislocation breakaway varies from 25 to 100%. The nature of the reactions requiring high applied stress for breakaway is identified. The obstacle strengths of 〈1 0 0〉 loops, 1/2〈1 1 1〉 loops and voids containing the same number (169) of point defects are compared. 〈1 0 0〉 loops with Burgers vector parallel to the dislocation glide plane are slightly stronger than 〈1 0 0〉 and 1/2〈1 1 1〉 loops with inclined Burgers vector: voids are about 30% weaker than the stronger loops. However, small voids are stronger than small 1/2〈1 1 1〉 loops. The complexity of some reactions and the variety of obstacle strengths poses a challenge for the development of continuum models of dislocation behaviour in irradiated iron.

AB - Atomic-level simulations are used to investigate the interaction of an edge dislocation with 〈1 0 0〉 interstitial dislocation loops in α-iron at 300 K. Dislocation reactions are studied systematically for different loop positions and Burgers vector orientations, and results are compared for two different interatomic potentials. Reactions are wide-ranging and complex, but can be described in terms of conventional dislocation reactions in which Burgers vector is conserved. The fraction of interstitials left behind after dislocation breakaway varies from 25 to 100%. The nature of the reactions requiring high applied stress for breakaway is identified. The obstacle strengths of 〈1 0 0〉 loops, 1/2〈1 1 1〉 loops and voids containing the same number (169) of point defects are compared. 〈1 0 0〉 loops with Burgers vector parallel to the dislocation glide plane are slightly stronger than 〈1 0 0〉 and 1/2〈1 1 1〉 loops with inclined Burgers vector: voids are about 30% weaker than the stronger loops. However, small voids are stronger than small 1/2〈1 1 1〉 loops. The complexity of some reactions and the variety of obstacle strengths poses a challenge for the development of continuum models of dislocation behaviour in irradiated iron.

KW - Dislocation loop

KW - Edge dislocation

KW - Iron

KW - Molecular dynamics

UR - http://www.scopus.com/inward/record.url?scp=53049103248&partnerID=8YFLogxK

U2 - 10.1016/j.actamat.2008.06.032

DO - 10.1016/j.actamat.2008.06.032

M3 - Article

AN - SCOPUS:53049103248

SN - 1359-6454

VL - 56

SP - 5034

EP - 5046

JO - Acta Materialia

JF - Acta Materialia

IS - 18

ER -

Simulation of the interaction between an edge dislocation and a 〈1 0 0〉 interstitial dislocation loop in α-iron

Abstract

Funding

Keywords

Access to Document

Other files and links

Fingerprint

Cite this