| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Jacobsen, Karsten Wedel
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (30/30 displayed)
- 2020Minimum-strain symmetrization of Bravais latticescitations
- 2019High-Entropy Alloys as a Discovery Platform for Electrocatalysiscitations
- 2019Shining Light on Sulfide Perovskites: LaYS 3 Material Properties and Solar Cellscitations
- 2019Shining Light on Sulfide Perovskites: LaYS3 Material Properties and Solar Cellscitations
- 2018Machine learning-based screening of complex molecules for polymer solar cellscitations
- 2018Computational Screening of Light-absorbing Materials for Photoelectrochemical Water Splittingcitations
- 2017Sulfide perovskites for solar energy conversion applications: computational screening and synthesis of the selected compound LaYS 3citations
- 2017Nanocrystalline metals: Roughness in flatlandcitations
- 2017Determination of low-strain interfaces via geometric matchingcitations
- 2017Sulfide perovskites for solar energy conversion applications: computational screening and synthesis of the selected compound LaYS3citations
- 2016Atomically Thin Ordered Alloys of Transition Metal Dichalcogenides: Stability and Band Structurescitations
- 2016Defect-Tolerant Monolayer Transition Metal Dichalcogenidescitations
- 2015Band-gap engineering of functional perovskites through quantum confinement and tunnelingcitations
- 2013Bandgap Engineering of Double Perovskites for One- and Two-photon Water Splittingcitations
- 2013Stability and bandgaps of layered perovskites for one- and two-photon water splittingcitations
- 2013Density functional theory studies of transition metal nanoparticles in catalysis
- 2012Conventional and acoustic surface plasmons on noble metal surfaces: a time-dependent density functional theory studycitations
- 2012Computational screening of perovskite metal oxides for optimal solar light capturecitations
- 2012Spatially resolved quantum plasmon modes in metallic nano-films from first-principles
- 2011Nonlocal Screening of Plasmons in Graphene by Semiconducting and Metallic Substrates:First-Principles Calculationscitations
- 2011Nonlocal Screening of Plasmons in Graphene by Semiconducting and Metallic Substratescitations
- 2011Trends in Metal Oxide Stability for Nanorods, Nanotubes, and Surfacescitations
- 2010Computer simulations of nanoindentation in Mg-Cu and Cu-Zr metallic glassescitations
- 2010Computer simulations of nanoindentation in Mg-Cu and Cu-Zr metallic glassescitations
- 2010Graphene on metals: A van der Waals density functional studycitations
- 2006Atomistic simulation study of the shear-band deformation mechanism in Mg-Cu metallic glassescitations
- 2004Simulation of Cu-Mg metallic glass: Thermodynamics and structurecitations
- 2004Atomistic simulations of Mg-Cu metallic glasses: Mechanical propertiescitations
- 2004Simulations of intergranular fracture in nanocrystalline molybdenumcitations
- 2003A maximum in the strength of nanocrystalline copper
Places of action
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article
Computer simulations of nanoindentation in Mg-Cu and Cu-Zr metallic glasses
Abstract
The formation of shear bands during plastic deformation of Cu0.50Zr0.50 and Mg0.85Cu0.15 metallic glasses is studied using atomic-scale computer simulations. The atomic interactions are described using realistic many-body potentials within the effective medium theory, and are compared with similar simulations using a Lennard-Jones description of the material. The metallic glasses are deformed both in simple shear and in a simulated nanoindentation experiment. Plastic shear localizes into shear bands with a width of approximately 5 nm in CuZr and 8 nm in MgCu. In simple shear, the shear band formation is very clear, whereas only incipient shear bands are seen in nanoindentation. The shear band formation during nanoindentation is sensitive to the indentation velocity, indenter radius and the cooling rate during the formation of the metallic glass. For comparison, a similar nanoindentation simulation was made with a nanocrystalline sample, showing how the presence of a polycrystalline structure leads to a different and more spatially distributed deformation pattern, where dislocation avalanches play an important role.