Dimensionality of interstitial He migration in <1 1 0 > tilt grain boundaries in alpha-Fe

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Dimensionality of interstitial He migration in <1 1 0 > tilt grain boundaries in alpha-Fe. / Terentyev, Dmitry; He, Xinfu; Bonny, Giovanni (Peer reviewer).

In: Computational Materials Science, Vol. 49, No. 4, 01.10.2010, p. 858-864.

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Terentyev, Dmitry ; He, Xinfu ; Bonny, Giovanni. / Dimensionality of interstitial He migration in <1 1 0 > tilt grain boundaries in alpha-Fe. In: Computational Materials Science. 2010 ; Vol. 49, No. 4. pp. 858-864.

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@article{3a834bf9c6fe4632afe8ea6e70a3c409,
title = "Dimensionality of interstitial He migration in <1 1 0 > tilt grain boundaries in alpha-Fe",
abstract = "In this work we study the migration of an interstitial helium atom in different tilt grain boundaries in alpha-Fe, with the misorientation angle varying in the range 26-141 degrees. Systematic molecular statics and molecular dynamics simulations were performed to characterize the interaction of He with the core of the grain boundaries (GB) and to estimate the diffusion coefficient, migration mechanism and effective migration energy. The simulations were performed in the temperature range 300-1000K, applying a recently proposed set of interatomic potentials for Fe-He system by Juslin et al., specially fitted to the properties of He in bulk Fe.",
keywords = "COMPUTER-SIMULATION, DIFFUSION, HELIUM, METALS, IRON",
author = "Dmitry Terentyev and Xinfu He and Giovanni Bonny",
note = "Score = 10",
year = "2010",
month = "10",
day = "1",
doi = "10.1016/j.commatsci.2010.06.036",
language = "English",
volume = "49",
pages = "858--864",
journal = "Computational Materials Science",
issn = "0927-0256",
publisher = "Elsevier",
number = "4",

}

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TY - JOUR

T1 - Dimensionality of interstitial He migration in <1 1 0 > tilt grain boundaries in alpha-Fe

AU - Terentyev, Dmitry

AU - He, Xinfu

A2 - Bonny, Giovanni

N1 - Score = 10

PY - 2010/10/1

Y1 - 2010/10/1

N2 - In this work we study the migration of an interstitial helium atom in different tilt grain boundaries in alpha-Fe, with the misorientation angle varying in the range 26-141 degrees. Systematic molecular statics and molecular dynamics simulations were performed to characterize the interaction of He with the core of the grain boundaries (GB) and to estimate the diffusion coefficient, migration mechanism and effective migration energy. The simulations were performed in the temperature range 300-1000K, applying a recently proposed set of interatomic potentials for Fe-He system by Juslin et al., specially fitted to the properties of He in bulk Fe.

AB - In this work we study the migration of an interstitial helium atom in different tilt grain boundaries in alpha-Fe, with the misorientation angle varying in the range 26-141 degrees. Systematic molecular statics and molecular dynamics simulations were performed to characterize the interaction of He with the core of the grain boundaries (GB) and to estimate the diffusion coefficient, migration mechanism and effective migration energy. The simulations were performed in the temperature range 300-1000K, applying a recently proposed set of interatomic potentials for Fe-He system by Juslin et al., specially fitted to the properties of He in bulk Fe.

KW - COMPUTER-SIMULATION

KW - DIFFUSION

KW - HELIUM

KW - METALS

KW - IRON

UR - http://ecm.sckcen.be/OTCS/llisapi.dll/open/ezp_109971

UR - http://knowledgecentre.sckcen.be/so2/bibref/7530

U2 - 10.1016/j.commatsci.2010.06.036

DO - 10.1016/j.commatsci.2010.06.036

M3 - Article

VL - 49

SP - 858

EP - 864

JO - Computational Materials Science

JF - Computational Materials Science

SN - 0927-0256

IS - 4

ER -

ID: 281921