Transfer of molecular dynamics data to dislocation dynamics to assess dislocation–dislocation loop interaction in iron

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Transfer of molecular dynamics data to dislocation dynamics to assess dislocation–dislocation loop interaction in iron. / Terentyev, Dmitry; Monnet, G.; Grigorev, Petr; Bonny, Giovanni (Peer reviewer).

In: Scripta Materialia, Vol. 69, No. 8, 10.2013, p. 578-581.

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@article{8ee3c2cd7ff84bfaab78d859f8535e1a,
title = "Transfer of molecular dynamics data to dislocation dynamics to assess dislocation–dislocation loop interaction in iron",
abstract = "We propose a computationally fast and physically justifiable method to treat dislocation loops as stochastic thermally activated finite-size obstacles in discrete dislocation dynamics simulations. The method was parameterized using molecular dynamics data for the interaction of dislocations with a0/2〈1 1 1〉 dislocation loops. As demonstration, the method is applied to rationalize experimental hardening of neutron-irradiated iron. The obtained results show good agreement with experimental data.",
keywords = "Metals, Dislocation loops, Hardening, Molecular Dynamics",
author = "Dmitry Terentyev and G. Monnet and Petr Grigorev and Giovanni Bonny",
note = "Score = 10",
year = "2013",
month = "10",
doi = "10.1016/j.scriptamat.2013.06.026",
language = "English",
volume = "69",
pages = "578--581",
journal = "Scripta Materialia",
issn = "1359-6462",
publisher = "Elsevier",
number = "8",

}

RIS - Download

TY - JOUR

T1 - Transfer of molecular dynamics data to dislocation dynamics to assess dislocation–dislocation loop interaction in iron

AU - Terentyev, Dmitry

AU - Monnet, G.

AU - Grigorev, Petr

A2 - Bonny, Giovanni

N1 - Score = 10

PY - 2013/10

Y1 - 2013/10

N2 - We propose a computationally fast and physically justifiable method to treat dislocation loops as stochastic thermally activated finite-size obstacles in discrete dislocation dynamics simulations. The method was parameterized using molecular dynamics data for the interaction of dislocations with a0/2〈1 1 1〉 dislocation loops. As demonstration, the method is applied to rationalize experimental hardening of neutron-irradiated iron. The obtained results show good agreement with experimental data.

AB - We propose a computationally fast and physically justifiable method to treat dislocation loops as stochastic thermally activated finite-size obstacles in discrete dislocation dynamics simulations. The method was parameterized using molecular dynamics data for the interaction of dislocations with a0/2〈1 1 1〉 dislocation loops. As demonstration, the method is applied to rationalize experimental hardening of neutron-irradiated iron. The obtained results show good agreement with experimental data.

KW - Metals

KW - Dislocation loops

KW - Hardening

KW - Molecular Dynamics

UR - http://ecm.sckcen.be/OTCS/llisapi.dll/open/ezp_136502

UR - http://knowledgecentre.sckcen.be/so2/bibref/11742

U2 - 10.1016/j.scriptamat.2013.06.026

DO - 10.1016/j.scriptamat.2013.06.026

M3 - Article

VL - 69

SP - 578

EP - 581

JO - Scripta Materialia

JF - Scripta Materialia

SN - 1359-6462

IS - 8

ER -

ID: 329293