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Beilstein J Nanotechnol. 2013 Sep 19;4:542-53. doi: 10.3762/bjnano.4.63. eCollection 2013.

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

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  • 1Technische Universität Darmstadt, Fachbereich Material- und Geowissenschaften, Fachgebiet Materialmodellierung, Petersenstr. 32, D-64287 Darmstadt, Germany.

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.

KEYWORDS:

grain boundary segregation; grain boundary structure; molecular dynamics; nanocrystalline materials; plastic deformation

PMID:
24205450
PMCID:
PMC3817796
DOI:
10.3762/bjnano.4.63
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