| 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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Hourahine, Benjamin
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (14/14 displayed)
- 2020Luminescence behavior of semipolar (10-11) InGaN/GaN "bow-tie" structures on patterned Si substratescitations
- 2019Collapsed carbon nanotubes : from nano to mesoscale via density functional theory-based tight-binding objective molecular modelingcitations
- 2019Collapsed carbon nanotubescitations
- 2018Dislocation contrast in electron channelling contrast images as projections of strain-like componentscitations
- 2017Coherent control of plasmons in nanoparticles with nonlocal responsecitations
- 2016Reprint of
- 2016Electron channelling contrast imaging for III-nitride thin film structurescitations
- 2013Electron channeling contrast imaging studies of nonpolar nitrides using a scanning electron microscopecitations
- 2012Imaging and identifying defects in nitride semiconductor thin films using a scanning electron microscopecitations
- 2010Theoretical modelling of rare Earth dopants in GaNcitations
- 2009Luminescence of Eu ions in AlxGa1-xN across the entire alloy composition rangecitations
- 2007Efficient tight-binding approach for the study of strongly correlated systemscitations
- 2006Rare earth doped III-nitrides for optoelectronicscitations
- 2006Hydrogen molecules and platelets in germaniumcitations
Places of action
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article
Collapsed carbon nanotubes
Abstract
<p>Due to the inherent spatial and temporal limitations of atomistic modeling and the lack of efficient mesoscopic models, mesoscale simulation methods for guiding the development of super strong lightweight material systems comprising collapsed carbon nanotubes (CNTs) are currently missing. Here we establish a path for deriving ultra-coarse-grained mesoscopic distinct element method (mDEM) models directly from the quantum mechanical representation of a collapsed CNT. Atomistic calculations based on density functional-based tight-binding (DFTB) extended with Lennard-Jones interactions allow for the identification of the cross-section and elastic constants of an elastic beam idealization of a collapsed CNT. Application of the DFTB quantum treatment is possible due to the simplification in the number of atoms introduced by accounting for the helical and angular symmetries exhibited by twisted and bent CNTs. The multiscale modeling chain established here is suitable for deriving ultra-coarse-grained mesoscopic models for a variety of microscopic filaments presenting complex interatomic bondings.</p>