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Plasticity of Cu nanoparticles: Dislocation-dendrite-induced strain hardening and a limit for displacive plasticity

Tolvanen, Antti and Albe, Karsten (2013):
Plasticity of Cu nanoparticles: Dislocation-dendrite-induced strain hardening and a limit for displacive plasticity.
In: Beilstein Journal of Nanotechnology, pp. 173-179, 4, ISSN 2190-4286,
[Online-Edition: http://dx.doi.org/10.3762/bjnano.4.17],
[Article]

Abstract

The plastic behaviour of individual Cu crystallites under nanoextrusion is studied by molecular dynamics simulations. Single- crystal Cu fcc nanoparticles are embedded in a spherical force field mimicking the effect of a contracting carbon shell, inducing ressure on the system in the range of gigapascals. The material is extruded from a hole of 1.1–1.6 nm radius under athermal conditions. Simultaneous nucleation of partial dislocations at the extrusion orifice leads to the formation of dislocation dendrites in the particle causing strain hardening and high flow stress of the material. As the extrusion orifice radius is reduced below 1.3 Å we observe a transition from displacive plasticity to solid-state amorphisation.

Item Type: Article
Erschienen: 2013
Creators: Tolvanen, Antti and Albe, Karsten
Title: Plasticity of Cu nanoparticles: Dislocation-dendrite-induced strain hardening and a limit for displacive plasticity
Language: English
Abstract:

The plastic behaviour of individual Cu crystallites under nanoextrusion is studied by molecular dynamics simulations. Single- crystal Cu fcc nanoparticles are embedded in a spherical force field mimicking the effect of a contracting carbon shell, inducing ressure on the system in the range of gigapascals. The material is extruded from a hole of 1.1–1.6 nm radius under athermal conditions. Simultaneous nucleation of partial dislocations at the extrusion orifice leads to the formation of dislocation dendrites in the particle causing strain hardening and high flow stress of the material. As the extrusion orifice radius is reduced below 1.3 Å we observe a transition from displacive plasticity to solid-state amorphisation.

Journal or Publication Title: Beilstein Journal of Nanotechnology
Volume: 4
Uncontrolled Keywords: dislocation interactions, mechanical properties, molecular dynamics, nanoparticle, simulation
Divisions: 11 Department of Materials and Earth Sciences > Material Science > Materials Modelling
11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences
Date Deposited: 27 Jun 2013 08:32
Official URL: http://dx.doi.org/10.3762/bjnano.4.17
Additional Information:

This article is part of the Thematic Series "Advances in nanomaterials".

Identification Number: doi:10.3762/bjnano.4.17
Funders: This work was supported by the Deutsche Forschungsgemeinschaft through project KO 3861/2. , We are grateful for the DAAD travel grant and computational resources provided by the John von Neumann Institute for Computing in Jülich and HRZ at TU Darmstadt.
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