About: Dislocation motion in tungsten: Atomistic input to discrete dislocation simulations

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	A computational framework for the discrete dislocation dynamics simulation of body-centered cubic (bcc) metals which incorporates atomistic simulation results is developed here on the example of tungsten. Mobility rules for the a/2h111i screw dislocations are based on the kink-pair mechanism. The fundamental physical quantity controlling the kink-pair nucleation, the stress-dependent activation enthalpy, is obtained by fitting the line-tension model to atomistic data extending the approach by Gröger et al. (2008a,b) and Gröger and Vitek (2008c). In agreement with atomistic simulation, kink-pair nucleation is assumed to occur only on f110g planes. It is demonstrated that slip of the crystal along high-index planes like f112g which is often observed in experiments is obtained by the glide of the dislocation on two or more f110g planes. It is shown that such an atomistic based description of the dislocation mobility provides a physical basis to naturally explain many experimentally observed phenomena in bcc metals like the tension–compression asymmetry, the orientation dependence of loading, temperature dependence of yield stress and the crystallography of slip. A computational framework for the discrete dislocation dynamics simulation of body-centered cubic (bcc) metals which incorporates atomistic simulation results is developed here on the example of tungsten. Mobility rules for the a/2h111i screw dislocations are based on the kink-pair mechanism. The fundamental physical quantity controlling the kink-pair nucleation, the stress-dependent activation enthalpy, is obtained by fitting the line-tension model to atomistic data extending the approach by Gröger et al. (2008a,b) and Gröger and Vitek (2008c). In agreement with atomistic simulation, kink-pair nucleation is assumed to occur only on f110g planes. It is demonstrated that slip of the crystal along high-index planes like f112g which is often observed in experiments is obtained by the glide of the dislocation on two or more f110g planes. It is shown that such an atomistic based description of the dislocation mobility provides a physical basis to naturally explain many experimentally observed phenomena in bcc metals like the tension–compression asymmetry, the orientation dependence of loading, temperature dependence of yield stress and the crystallography of slip. (en)
Title	Dislocation motion in tungsten: Atomistic input to discrete dislocation simulations Dislocation motion in tungsten: Atomistic input to discrete dislocation simulations (en)
skos:prefLabel	Dislocation motion in tungsten: Atomistic input to discrete dislocation simulations Dislocation motion in tungsten: Atomistic input to discrete dislocation simulations (en)
skos:notation	RIV/68081723:_____/13:00435008!RIV15-GA0-68081723
http://linked.open...avai/riv/aktivita	I P
http://linked.open...avai/riv/aktivity	I, P(ED1.1.00/02.0068), P(GAP204/10/0255)
http://linked.open...iv/cisloPeriodika	AUG
http://linked.open...vai/riv/dodaniDat	2015
http://linked.open...aciTvurceVysledku	Gröger, Roman
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	69893
http://linked.open...ai/riv/idVysledku	RIV/68081723:_____/13:00435008
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	body-centered cubic; non-Schmid effects; anomalous slip; discrete dislocation dynamics (en)
http://linked.open.../riv/klicoveSlovo	anomalous slip body-centered cubic non-Schmid effects discrete dislocation dynamics
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[F8475E76E749]
http://linked.open...i/riv/nazevZdroje	International Journal of Plasticity
http://linked.open...in/vavai/riv/obor	BM
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...vavai/riv/projekt	Central european institute of technology Calculation of the Peierls barrier in bcc metals and its dependence on stress
http://linked.open...UplatneniVysledku	2013
http://linked.open...v/svazekPeriodika	47
http://linked.open...iv/tvurceVysledku	Gröger, Roman Gumbsch, P. Srivastava, K. Weygand, D.
http://linked.open...ain/vavai/riv/wos	000321410200008
issn	0749-6419
number of pages	17 (xsd:int)
http://bibframe.org/vocab/doi	10.1016/j.ijplas.2013.01.014

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