About: Influence of the dislocation core on the glide of the 1/2 < 111 >{110} edge dislocation in bcc-iron: An embedded atom method study

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About: Influence of the dislocation core on the glide of the 1/2 < 111 >{110} edge dislocation in bcc-iron: An embedded atom method study Goto Sponge NotDistinct Permalink

An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

Attributes	Values
rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Four commonly used embedded atom method potentials for bcc-Fe by Ackland et al. (1997), Mendelev et al. (2003), Chiesa et al. (2009) and Malerba et al. (2010) are critically evaluated with respect to their description of the edge dislocation core structure and its dynamic behavior. Our results allow us to quantify the transferability of the various empirical potentials in the study of the 1/2 < 111 >{110} edge dislocation core structure and kinetics. Specifically, we show that the equilibrium dislocation core structure is a direct consequence of the shape of the extended gamma surface. We further find that there is a strong correlation between the structure of the edge dislocation core and its glide stress. An in depth analysis of the dislocation migration results reveals that the dominant migration mechanism is via progressing straight line segments of the dislocation. This is further confirmed by the excellent qualitative agreement of nudged elastic band calculations of the Peierls barrier with the dynamically determined critical shear stresses. Four commonly used embedded atom method potentials for bcc-Fe by Ackland et al. (1997), Mendelev et al. (2003), Chiesa et al. (2009) and Malerba et al. (2010) are critically evaluated with respect to their description of the edge dislocation core structure and its dynamic behavior. Our results allow us to quantify the transferability of the various empirical potentials in the study of the 1/2 < 111 >{110} edge dislocation core structure and kinetics. Specifically, we show that the equilibrium dislocation core structure is a direct consequence of the shape of the extended gamma surface. We further find that there is a strong correlation between the structure of the edge dislocation core and its glide stress. An in depth analysis of the dislocation migration results reveals that the dominant migration mechanism is via progressing straight line segments of the dislocation. This is further confirmed by the excellent qualitative agreement of nudged elastic band calculations of the Peierls barrier with the dynamically determined critical shear stresses. (en)
Title	Influence of the dislocation core on the glide of the 1/2 < 111 >{110} edge dislocation in bcc-iron: An embedded atom method study Influence of the dislocation core on the glide of the 1/2 < 111 >{110} edge dislocation in bcc-iron: An embedded atom method study (en)
skos:prefLabel	Influence of the dislocation core on the glide of the 1/2 < 111 >{110} edge dislocation in bcc-iron: An embedded atom method study Influence of the dislocation core on the glide of the 1/2 < 111 >{110} edge dislocation in bcc-iron: An embedded atom method study (en)
skos:notation	RIV/68081723:_____/14:00435454!RIV15-AV0-68081723
http://linked.open...avai/riv/aktivita	I
http://linked.open...avai/riv/aktivity	I
http://linked.open...iv/cisloPeriodika	MAY
http://linked.open...vai/riv/dodaniDat	2015
http://linked.open...aciTvurceVysledku	Friák, Martin
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ústav fyziky materiálů AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	21656
http://linked.open...ai/riv/idVysledku	RIV/68081723:_____/14:00435454
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Molecular dynamics; Edge dislocation; Core structure; Dislocation glide; Iron (en)
http://linked.open.../riv/klicoveSlovo	Molecular dynamics Iron Core structure Dislocation glide Edge dislocation
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[1306E2A123C2]
http://linked.open...i/riv/nazevZdroje	Computational Materials Science
http://linked.open...in/vavai/riv/obor	BM
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	7 (xsd:int)
http://linked.open...UplatneniVysledku	2014
http://linked.open...v/svazekPeriodika	87
http://linked.open...iv/tvurceVysledku	Friák, Martin Neugebauer, J. Kormann, F. Raabe, D. Haghighat, S. M. H. Race, C. P. von Pezold, J.
http://linked.open...ain/vavai/riv/wos	000333972700036
issn	0927-0256
number of pages	8 (xsd:int)
http://bibframe.org/vocab/doi	10.1016/j.commatsci.2014.02.031

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