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Plasticity of nanocrystalline alloys with chemical order: on the strength and ductility of nanocrystalline Ni–Fe

Schäfer, Jonathan and Albe, Karsten (2013):
Plasticity of nanocrystalline alloys with chemical order: on the strength and ductility of nanocrystalline Ni–Fe.
In: Beilstein Journal of Nanotechnology, pp. 542-553, 4, ISSN 2190-4286,
[Online-Edition: http://dx.doi.org/10.3762/bjnano.4.63],
[Article]

Abstract

Plastic deformation and alloying of nanocrystalline Ni–Fe is studied by means of atomic scale computer simulations. By using a combination of Monte-Carlo and molecular dynamics methods we find that solutes have an ordering tendency even if grain sizes are in the nanometer regime, where the phase field of the ordered state is widened as compared to larger grain sizes. Tensile testing of disordered structures with various elemental distributions and the simultaneous analysis of intragranular defects reveal that solid solution strengthening is absent for the studied grain sizes. The composition and relaxation state of the grain boundary control the strength of the material, which is also found for ordered structures (L12), where dislocation activity is suppressed.

Item Type: Article
Erschienen: 2013
Creators: Schäfer, Jonathan and Albe, Karsten
Title: Plasticity of nanocrystalline alloys with chemical order: on the strength and ductility of nanocrystalline Ni–Fe
Language: English
Abstract:

Plastic deformation and alloying of nanocrystalline Ni–Fe is studied by means of atomic scale computer simulations. By using a combination of Monte-Carlo and molecular dynamics methods we find that solutes have an ordering tendency even if grain sizes are in the nanometer regime, where the phase field of the ordered state is widened as compared to larger grain sizes. Tensile testing of disordered structures with various elemental distributions and the simultaneous analysis of intragranular defects reveal that solid solution strengthening is absent for the studied grain sizes. The composition and relaxation state of the grain boundary control the strength of the material, which is also found for ordered structures (L12), where dislocation activity is suppressed.

Journal or Publication Title: Beilstein Journal of Nanotechnology
Volume: 4
Uncontrolled Keywords: nanocrystalline materials, grain boundary structure, grain boundary segregation, plastic deformation, molecular dynamics
Divisions: 11 Department of Materials and Earth Sciences > Material Science > Materials Modelling
11 Department of Materials and Earth Sciences > Material Science > Joint Research Laboratory Nanomaterials
11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences
Date Deposited: 17 Feb 2014 10:32
Official URL: http://dx.doi.org/10.3762/bjnano.4.63
Additional Information:

This article is part of the Thematic Series "Advances in nanomaterials" and is dedicated to Professor Horst Hahn on the occasion of his 60th birthday.

Identification Number: doi:10.3762/bjnano.4.63
Funders: Financial support of the Deutsche Forschungsgemeinschaft (FOR714) and grants of computer time from Forschungszentrum Jülich are gratefully acknowledged.
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