Cluster-simulated dislocation core: Motion and trap for impurity atoms

Yan Quan Feng; Feng Liang Shi; Chong Yu Wang

doi:10.1142/S0217979205030967

Cluster-simulated dislocation core: Motion and trap for impurity atoms

Yan Quan Feng^*, Feng Liang Shi, Chong Yu Wang

^*Corresponding author for this work

School of Physics

Research output: Contribution to journal › Article › peer-review

Abstract

The electronic structures of a cluster-simulated edge dislocation core in bcc iron were computed using the discrete variational method of density functional theory Energy calculations show that the iron lattice and the impurity atoms trapped in the core have resistance to the dislocation motion The ubiquitous P-embrittlement of iron can be explained electronically.

Original language	English
Pages (from-to)	2353-2358
Number of pages	6
Journal	International Journal of Modern Physics B
Volume	19
Issue number	15-17
DOIs	https://doi.org/10.1142/S0217979205030967
Publication status	Published - 10 Jul 2005

Keywords

Dislocation core
Dislocation motion
Electronic effect

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10.1142/S0217979205030967

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title = "Cluster-simulated dislocation core: Motion and trap for impurity atoms",

abstract = "The electronic structures of a cluster-simulated edge dislocation core in bcc iron were computed using the discrete variational method of density functional theory Energy calculations show that the iron lattice and the impurity atoms trapped in the core have resistance to the dislocation motion The ubiquitous P-embrittlement of iron can be explained electronically.",

keywords = "Dislocation core, Dislocation motion, Electronic effect",

author = "Feng, {Yan Quan} and Shi, {Feng Liang} and Wang, {Chong Yu}",

year = "2005",

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doi = "10.1142/S0217979205030967",

language = "English",

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journal = "International Journal of Modern Physics B",

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T1 - Cluster-simulated dislocation core

T2 - Motion and trap for impurity atoms

AU - Feng, Yan Quan

AU - Shi, Feng Liang

AU - Wang, Chong Yu

PY - 2005/7/10

Y1 - 2005/7/10

N2 - The electronic structures of a cluster-simulated edge dislocation core in bcc iron were computed using the discrete variational method of density functional theory Energy calculations show that the iron lattice and the impurity atoms trapped in the core have resistance to the dislocation motion The ubiquitous P-embrittlement of iron can be explained electronically.

AB - The electronic structures of a cluster-simulated edge dislocation core in bcc iron were computed using the discrete variational method of density functional theory Energy calculations show that the iron lattice and the impurity atoms trapped in the core have resistance to the dislocation motion The ubiquitous P-embrittlement of iron can be explained electronically.

KW - Dislocation core

KW - Dislocation motion

KW - Electronic effect

UR - http://www.scopus.com/inward/record.url?scp=23944434985&partnerID=8YFLogxK

U2 - 10.1142/S0217979205030967

DO - 10.1142/S0217979205030967

M3 - Article

AN - SCOPUS:23944434985

SN - 0217-9792

VL - 19

SP - 2353

EP - 2358

JO - International Journal of Modern Physics B

JF - International Journal of Modern Physics B

IS - 15-17

ER -

Cluster-simulated dislocation core: Motion and trap for impurity atoms

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Keywords

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