Simulation of the interaction between an edge dislocation and a interstitial dislocation loop in a-iron

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Simulation of the interaction between an edge dislocation and a interstitial dislocation loop in a-iron. / Terentyev, Dmitry; Grammatikopoulos, P.; Bacon, D.J.; Osetsky, Yu.N.; Chaouadi, Rachid (Peer reviewer).

In: Acta Materialia, Vol. 56, No. 18, 01.06.2008, p. 5034-5046.

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Terentyev, Dmitry ; Grammatikopoulos, P. ; Bacon, D.J. ; Osetsky, Yu.N. ; Chaouadi, Rachid. / Simulation of the interaction between an edge dislocation and a interstitial dislocation loop in a-iron. In: Acta Materialia. 2008 ; Vol. 56, No. 18. pp. 5034-5046.

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@article{4c0242f504174e04aeef0a9ed936258a,
title = "Simulation of the interaction between an edge dislocation and a interstitial dislocation loop in a-iron",
abstract = "Atomic-level simulations are used to investigate the interaction of an edge dislocation with h100i interstitial dislocation loops in airon 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 h100i loops, 1/2h111i loops and voids containing the same number (169) of point defects are compared. h100i loops with Burgers vector parallel to the dislocation glide plane are slightly stronger than h100i and 1/2h111i loops with inclined Burgers vector: voids are about 30% weaker than the stronger loops. However, small voids are stronger than small 1/2h111i 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 = "Edge dislocation, Dislocation loop, Molecular dynamics, Iron",
author = "Dmitry Terentyev and P. Grammatikopoulos and D.J. Bacon and Yu.N. Osetsky and Rachid Chaouadi",
note = "Score = 10",
year = "2008",
month = jun,
day = "1",
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",

}

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TY - JOUR

T1 - Simulation of the interaction between an edge dislocation and a interstitial dislocation loop in a-iron

AU - Terentyev, Dmitry

AU - Grammatikopoulos, P.

AU - Bacon, D.J.

AU - Osetsky, Yu.N.

A2 - Chaouadi, Rachid

N1 - Score = 10

PY - 2008/6/1

Y1 - 2008/6/1

N2 - Atomic-level simulations are used to investigate the interaction of an edge dislocation with h100i interstitial dislocation loops in airon 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 h100i loops, 1/2h111i loops and voids containing the same number (169) of point defects are compared. h100i loops with Burgers vector parallel to the dislocation glide plane are slightly stronger than h100i and 1/2h111i loops with inclined Burgers vector: voids are about 30% weaker than the stronger loops. However, small voids are stronger than small 1/2h111i 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 h100i interstitial dislocation loops in airon 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 h100i loops, 1/2h111i loops and voids containing the same number (169) of point defects are compared. h100i loops with Burgers vector parallel to the dislocation glide plane are slightly stronger than h100i and 1/2h111i loops with inclined Burgers vector: voids are about 30% weaker than the stronger loops. However, small voids are stronger than small 1/2h111i 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 - Edge dislocation

KW - Dislocation loop

KW - Molecular dynamics

KW - Iron

UR - http://ecm.sckcen.be/OTCS/llisapi.dll/open/ezp_92631

UR - http://knowledgecentre.sckcen.be/so2/bibref/5313

U2 - 10.1016/j.actamat.2008.06.032

DO - 10.1016/j.actamat.2008.06.032

M3 - Article

VL - 56

SP - 5034

EP - 5046

JO - Acta Materialia

JF - Acta Materialia

SN - 1359-6454

IS - 18

ER -

ID: 160206