The effect of interstitial N on grain boundary cohesive strength in Fe

Miyoung Kim; Clint B. Geller; A. J. Freeman

doi:10.1016/j.scriptamat.2004.02.003

The effect of interstitial N on grain boundary cohesive strength in Fe

Miyoung Kim^*, Clint B. Geller, A. J. Freeman

^*Corresponding author for this work

Physics and Astronomy

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

36 Scopus citations

Abstract

The effect of interstitial N on the cohesion of an Fe Σ3[110](111) grain boundary (GB) was investigated by ab-initio electronic structure calculations to reveal that free interstitial N produces a large strengthening energy, reduces the magnetic moments of the GB Fe atoms and is embrittling at the GB's.

Original language	English (US)
Pages (from-to)	1341-1343
Number of pages	3
Journal	Scripta Materialia
Volume	50
Issue number	10
DOIs	https://doi.org/10.1016/j.scriptamat.2004.02.003
State	Published - May 2004

Keywords

Ab-initio calculation
Composition Fe steel
Embrittlement
FLAPW
Grain boundaries

ASJC Scopus subject areas

Materials Science(all)
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering
Metals and Alloys

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10.1016/j.scriptamat.2004.02.003

Cite this

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title = "The effect of interstitial N on grain boundary cohesive strength in Fe",

abstract = "The effect of interstitial N on the cohesion of an Fe Σ3[110](111) grain boundary (GB) was investigated by ab-initio electronic structure calculations to reveal that free interstitial N produces a large strengthening energy, reduces the magnetic moments of the GB Fe atoms and is embrittling at the GB's.",

keywords = "Ab-initio calculation, Composition Fe steel, Embrittlement, FLAPW, Grain boundaries",

author = "Miyoung Kim and Geller, {Clint B.} and Freeman, {A. J.}",

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T1 - The effect of interstitial N on grain boundary cohesive strength in Fe

AU - Kim, Miyoung

AU - Geller, Clint B.

AU - Freeman, A. J.

PY - 2004/5

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N2 - The effect of interstitial N on the cohesion of an Fe Σ3[110](111) grain boundary (GB) was investigated by ab-initio electronic structure calculations to reveal that free interstitial N produces a large strengthening energy, reduces the magnetic moments of the GB Fe atoms and is embrittling at the GB's.

AB - The effect of interstitial N on the cohesion of an Fe Σ3[110](111) grain boundary (GB) was investigated by ab-initio electronic structure calculations to reveal that free interstitial N produces a large strengthening energy, reduces the magnetic moments of the GB Fe atoms and is embrittling at the GB's.

KW - Ab-initio calculation

KW - Composition Fe steel

KW - Embrittlement

KW - FLAPW

KW - Grain boundaries

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EP - 1343

JO - Scripta Materialia

JF - Scripta Materialia

IS - 10

ER -

The effect of interstitial N on grain boundary cohesive strength in Fe

Abstract

Keywords

ASJC Scopus subject areas

Access to Document

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