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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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Tanguy, Anne
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (11/11 displayed)
- 2024Thermomechanical dissipative behaviour of CuZr metallic glasses
- 2021Elasto-plastic behavior of amorphous materials: a brief review ; Comptes Rendus Physiquecitations
- 2021Shear Banding in a Contact Problem between Metallic Glassescitations
- 2020Continuum constitutive laws to describe acoustic attenuation in glassescitations
- 2020Influence of the shape and interconnection of nanoparticleson the lattice thermal conductivity in a c-Si/a-Si nanocomposite
- 2020Vibrational density of states of free and embedded semiconducting GaN nanoparticlescitations
- 2019Enhancement and anticipation of the Ioffe-Regel crossover in amorphous/nanocrystalline composites ; Exaltation et anticipation du crossover de Ioffe-Regel dans des composites amorphe/nanocristallinscitations
- 2017Effect of composition and pressure on the shear strength of sodium silicate glasses: An atomic scale simulation studycitations
- 2016Densification dependent yield criteria for sodium silicate glasses - An atomistic simulation approachcitations
- 2016Sodium effect on static mechanical behavior of MD-modeled sodium silicate glassescitations
- 2016Transition from ductile to brittle failure of sodium silicate glasses: a numerical studycitations
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article
Vibrational density of states of free and embedded semiconducting GaN nanoparticles
Abstract
The impact of the size of free and embedded GaN nanoparticles on vibrational properties has been studied using three different numerical methods. The thermal conductivity of free nanoparticles was also estimated with equilibrium molecular dynamics. Important discrepancies between the vibrational density of states of small nanoparticles compared to the bulk are observed, such as the presence of modes in the bandgap related to the surface modes, the optical peaks decrease, and the redshift of the transverse acoustic peak. When these nanoparticles are embedded in a SiO2 matrix, the peaks in the bandgap disappear and the transverse acoustic modes are shifted back to the bulk frequencies. These differences between the free and the embedded nanoparticles tend to disappear for nanoparticles with diameters larger than 5 nm. Finally, the thermal conductivity for free nanoparticles is computed, showing a non-linear augmentation upon the increase of the size of nanoparticles. The latter results could be useful in effective medium models used to estimate the thermal conductivity of nanocomposites.