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How cr changes the dislocation core structure of α-fe: the role of magnetism

Cr is a critical alloying element in ferritic steels and its effect on the dislocation core structure of α-Fe is examined computationally using a quantum mechanics/molecular mechanics method. We find that Cr can significantly change the dislocation core structure of Fe where magnetism plays a crucia... Full description

Journal Title: Journal of Physics: Condensed Matter 2013, Vol.25(8), p.085403 (5pp)
Main Author: Zhang, Xu
Other Authors: Lu, Gang
Format: Electronic Article Electronic Article
Language: English
Subjects:
ID: ISSN: 0953-8984 ; E-ISSN: 1361-648X ; DOI: 10.1088/0953-8984/25/8/085403
Link: http://dx.doi.org/10.1088/0953-8984/25/8/085403
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recordid: iop10.1088/0953-8984/25/8/085403
title: How cr changes the dislocation core structure of α-fe: the role of magnetism
format: Article
creator:
  • Zhang, Xu
  • Lu, Gang
subjects:
  • Molecular Structure
  • Chromium
  • Dislocations
  • Dislocation Pinning
  • Condensed Matter
  • Iron
  • Magnetism
  • Slip Planes
  • Condensed Matter Physics (General) (So)
ispartof: Journal of Physics: Condensed Matter, 2013, Vol.25(8), p.085403 (5pp)
description: Cr is a critical alloying element in ferritic steels and its effect on the dislocation core structure of α-Fe is examined computationally using a quantum mechanics/molecular mechanics method. We find that Cr can significantly change the dislocation core structure of Fe where magnetism plays a crucial role. The strain-dependent magnetic interaction between Cr and the host Fe atoms is responsible for the dislocation core structure. When Cr is at the tension side of the slip plane, the Cr–Fe magnetic interaction is repulsive, which lowers the dislocation energy and pins the dislocation. When Cr occupies the compression side of the slip plane, the Cr–Fe interaction is attractive which increases the dislocation energy and promotes the dislocation to break away from Cr.
language: eng
source:
identifier: ISSN: 0953-8984 ; E-ISSN: 1361-648X ; DOI: 10.1088/0953-8984/25/8/085403
fulltext: fulltext
issn:
  • 0953-8984
  • 1361-648X
  • 09538984
  • 1361648X
url: Link


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descriptionCr is a critical alloying element in ferritic steels and its effect on the dislocation core structure of α-Fe is examined computationally using a quantum mechanics/molecular mechanics method. We find that Cr can significantly change the dislocation core structure of Fe where magnetism plays a crucial role. The strain-dependent magnetic interaction between Cr and the host Fe atoms is responsible for the dislocation core structure. When Cr is at the tension side of the slip plane, the Cr–Fe magnetic interaction is repulsive, which lowers the dislocation energy and pins the dislocation. When Cr occupies the compression side of the slip plane, the Cr–Fe interaction is attractive which increases the dislocation energy and promotes the dislocation to break away from Cr.
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subjectMolecular Structure ; Chromium ; Dislocations ; Dislocation Pinning ; Condensed Matter ; Iron ; Magnetism ; Slip Planes ; Condensed Matter Physics (General) (So);
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titleHow Cr changes the dislocation core structure of α-Fe: the role of magnetism
descriptionCr is a critical alloying element in ferritic steels and its effect on the dislocation core structure of α-Fe is examined computationally using a quantum mechanics/molecular mechanics method. We find that Cr can significantly change the dislocation core structure of Fe where magnetism plays a crucial role. The strain-dependent magnetic interaction between Cr and the host Fe atoms is responsible for the dislocation core structure. When Cr is at the tension side of the slip plane, the Cr–Fe magnetic interaction is repulsive, which lowers the dislocation energy and pins the dislocation. When Cr occupies the compression side of the slip plane, the Cr–Fe interaction is attractive which increases the dislocation energy and promotes the dislocation to break away from Cr.
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abstractCr is a critical alloying element in ferritic steels and its effect on the dislocation core structure of α-Fe is examined computationally using a quantum mechanics/molecular mechanics method. We find that Cr can significantly change the dislocation core structure of Fe where magnetism plays a crucial role. The strain-dependent magnetic interaction between Cr and the host Fe atoms is responsible for the dislocation core structure. When Cr is at the tension side of the slip plane, the Cr–Fe magnetic interaction is repulsive, which lowers the dislocation energy and pins the dislocation. When Cr occupies the compression side of the slip plane, the Cr–Fe interaction is attractive which increases the dislocation energy and promotes the dislocation to break away from Cr.
doi10.1088/0953-8984/25/8/085403
date2013-02-27