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Nanoindentation of Nanoglasses Tested by Molecular Dynamics Simulations: Influence of Structural Relaxation and Chemical Segregation on the Mechanical Response

Adjaoud, Omar ; Albe, Karsten (2021):
Nanoindentation of Nanoglasses Tested by Molecular Dynamics Simulations: Influence of Structural Relaxation and Chemical Segregation on the Mechanical Response. (Publisher's Version)
In: Frontiers in Materials, 8, Frontiers, e-ISSN 2296-8016,
DOI: 10.26083/tuprints-00019353,
[Article]

Abstract

We presentmolecular dynamics simulations of nanoindentation in order to investigate the effects of segregation and structural relaxation on the mechanical properties of Cu₆₄Zr₃₆ nanoglasses prepared by particle consolidation and long-time annealing. Our analysis of load-displacement curves shows that the effective elastic modulus of nanoglasses is lower than that of their homogeneous metallic glass counterpart. This is mainly because of the defective short-range order present in the glass-glass interface, but to a lesser extend due to chemical inhomogeneities. Structural relaxation obtained by long-time annealing (500 ns) at 0.8 Tg leads to a shift from a homogeneous deformation to a mix of homogeneous deformation and shear bands. The obtained hardness values of annealed nanoglass are comparable to those of homogenous glass samples, but significantly higher as compared to juvenile as-prepared nanoglass samples. The results are discussed in the context of recent nanonindentation experiments.

Item Type: Article
Erschienen: 2021
Creators: Adjaoud, Omar ; Albe, Karsten
Origin: Secondary publication via sponsored Golden Open Access
Status: Publisher's Version
Title: Nanoindentation of Nanoglasses Tested by Molecular Dynamics Simulations: Influence of Structural Relaxation and Chemical Segregation on the Mechanical Response
Language: English
Abstract:

We presentmolecular dynamics simulations of nanoindentation in order to investigate the effects of segregation and structural relaxation on the mechanical properties of Cu₆₄Zr₃₆ nanoglasses prepared by particle consolidation and long-time annealing. Our analysis of load-displacement curves shows that the effective elastic modulus of nanoglasses is lower than that of their homogeneous metallic glass counterpart. This is mainly because of the defective short-range order present in the glass-glass interface, but to a lesser extend due to chemical inhomogeneities. Structural relaxation obtained by long-time annealing (500 ns) at 0.8 Tg leads to a shift from a homogeneous deformation to a mix of homogeneous deformation and shear bands. The obtained hardness values of annealed nanoglass are comparable to those of homogenous glass samples, but significantly higher as compared to juvenile as-prepared nanoglass samples. The results are discussed in the context of recent nanonindentation experiments.

Journal or Publication Title: Frontiers in Materials
Journal volume: 8
Publisher: Frontiers
Collation: 8 Seiten
Divisions: 11 Department of Materials and Earth Sciences
11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences > Material Science > Materials Modelling
Date Deposited: 25 Aug 2021 12:26
DOI: 10.26083/tuprints-00019353
Official URL: https://tuprints.ulb.tu-darmstadt.de/19353
URN: urn:nbn:de:tuda-tuprints-193530
Additional Information:

Keywords: metallic glass, nanoglass, glass-glass interfaces, structural relaxation, segregation, nanoindentation, mechanical properties, molecular dynamics

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