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Enhancing the plasticity of metallic glasses: Shear band formation, nanocomposites and nanoglasses investigated by molecular dynamics simulations

Albe, Karsten and Ritter, Yvonne and Şopu, Daniel (2013):
Enhancing the plasticity of metallic glasses: Shear band formation, nanocomposites and nanoglasses investigated by molecular dynamics simulations.
In: Mechanics of Materials, Elsevier Science Publishing, pp. 94-103, 67, ISSN 01676636,
[Online-Edition: http://dx.doi.org/10.1016/j.mechmat.2013.06.004],
[Article]

Abstract

We investigate the influence of various microstructural features on the deformation behavior of binary Cu64Zr36 glasses by molecular dynamics computer simulations and discuss how and why the very same modifications established for enhancing the strengths of crystalline materials, namely the insertion of solutes, precipitates and grain boundaries, can be used for tuning the mechanical properties of metallic glasses. First, by testing bulk samples with and without open surfaces under tensile load, we show that the condensation of shear transformation zones into shear bands can occur as heterogeneous but also as a homogeneous nucleation process. Then, the influence of crystalline nanoprecipitates on shear band nucleation and propagation is investigated. Finally, we study the effect of grain size and composition on the deformation behavior of nanoglasses and nanoglass composites. The results reveal that glass–glass interfaces act as structural heterogeneities ,which promote shear band formation and prevent strain localization.

Item Type: Article
Erschienen: 2013
Creators: Albe, Karsten and Ritter, Yvonne and Şopu, Daniel
Title: Enhancing the plasticity of metallic glasses: Shear band formation, nanocomposites and nanoglasses investigated by molecular dynamics simulations
Language: English
Abstract:

We investigate the influence of various microstructural features on the deformation behavior of binary Cu64Zr36 glasses by molecular dynamics computer simulations and discuss how and why the very same modifications established for enhancing the strengths of crystalline materials, namely the insertion of solutes, precipitates and grain boundaries, can be used for tuning the mechanical properties of metallic glasses. First, by testing bulk samples with and without open surfaces under tensile load, we show that the condensation of shear transformation zones into shear bands can occur as heterogeneous but also as a homogeneous nucleation process. Then, the influence of crystalline nanoprecipitates on shear band nucleation and propagation is investigated. Finally, we study the effect of grain size and composition on the deformation behavior of nanoglasses and nanoglass composites. The results reveal that glass–glass interfaces act as structural heterogeneities ,which promote shear band formation and prevent strain localization.

Journal or Publication Title: Mechanics of Materials
Volume: 67
Publisher: Elsevier Science Publishing
Uncontrolled Keywords: Metallic glasses, Nanoglasses, Shear band formation, Shear transformation zones, Molecular dynamics simulations, Nanoprecipitates in metallic glasses
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: 08 Nov 2013 10:10
Official URL: http://dx.doi.org/10.1016/j.mechmat.2013.06.004
Identification Number: doi:10.1016/j.mechmat.2013.06.004
Funders: The authors acknowledge the financial support of the Deutsche Forschungsgemeinschaft (DFG) through project Grant Nos. Al-578/13 and Al-578/15. , A DAAD-PPP travel grant is also acknowledged., Computing time was made available by HHLR Frankfurt and Darmstadt. , The authors also gratefully acknowledge the computing time granted by the John von Neumann Institute for Computing (NIC) and provided on the supercomputer JUROPA at Jülich Supercomputing Centre (JSC).
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