Interaction of hydrogen with dislocations in tungsten: An atomistic study

Petr Grigorev; Dmitry Terentyev; Giovanni Bonny; Evgeny Zhurkin; Guido Van Oost; Jean-Marie Noterdaeme; Lorenzo Malerba

doi:10.1016/j.jnucmat.2015.06.013

Interaction of hydrogen with dislocations in tungsten: An atomistic study

Petr Grigorev, Dmitry Terentyev, Giovanni Bonny, Evgeny Zhurkin, Guido Van Oost, Jean-Marie Noterdaeme, Lorenzo Malerba

Research output › peer-review

Abstract

Interaction of hydrogen with dislocations studied by means of classical molecular dynamics simulations. Two types of interatomiic potentials were tested and vallidated by comparing with ab initio data. Strong attraction of H to screw and edge dislocation was demonstrated. Dymaic calulcations at finite temperature showed one dimentional migration of H atoms along the dislocation core.

Original language	English
Pages (from-to)	364-372
Number of pages	8
Journal	Journal of Nuclear Materials
Volume	465
DOIs	https://doi.org/10.1016/j.jnucmat.2015.06.013
State	Published - 12 Jun 2015

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Cite this

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title = "Interaction of hydrogen with dislocations in tungsten: An atomistic study",

abstract = "Interaction of hydrogen with dislocations studied by means of classical molecular dynamics simulations. Two types of interatomiic potentials were tested and vallidated by comparing with ab initio data. Strong attraction of H to screw and edge dislocation was demonstrated. Dymaic calulcations at finite temperature showed one dimentional migration of H atoms along the dislocation core.",

keywords = "hydrogen, fusion, dislocations , tungsten , embrittlement",

author = "Petr Grigorev and Dmitry Terentyev and Giovanni Bonny and Evgeny Zhurkin and {Van Oost}, Guido and Jean-Marie Noterdaeme and Lorenzo Malerba",

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journal = "Journal of Nuclear Materials",

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T1 - Interaction of hydrogen with dislocations in tungsten: An atomistic study

AU - Grigorev, Petr

AU - Terentyev, Dmitry

AU - Bonny, Giovanni

AU - Zhurkin, Evgeny

AU - Van Oost, Guido

AU - Noterdaeme, Jean-Marie

A2 - Malerba, Lorenzo

N1 - Score=10

PY - 2015/6/12

Y1 - 2015/6/12

N2 - Interaction of hydrogen with dislocations studied by means of classical molecular dynamics simulations. Two types of interatomiic potentials were tested and vallidated by comparing with ab initio data. Strong attraction of H to screw and edge dislocation was demonstrated. Dymaic calulcations at finite temperature showed one dimentional migration of H atoms along the dislocation core.

AB - Interaction of hydrogen with dislocations studied by means of classical molecular dynamics simulations. Two types of interatomiic potentials were tested and vallidated by comparing with ab initio data. Strong attraction of H to screw and edge dislocation was demonstrated. Dymaic calulcations at finite temperature showed one dimentional migration of H atoms along the dislocation core.

KW - hydrogen

KW - fusion

KW - dislocations

KW - tungsten

KW - embrittlement

UR - http://ecm.sckcen.be/OTCS/llisapi.dll/open/ezp_139894

UR - http://ecm.sckcen.be/OTCS/llisapi.dll/open/ezp_139894_2

UR - http://knowledgecentre.sckcen.be/so2/bibref/12801

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DO - 10.1016/j.jnucmat.2015.06.013

M3 - Article

SN - 0022-3115

VL - 465

SP - 364

EP - 372

JO - Journal of Nuclear Materials

JF - Journal of Nuclear Materials

ER -