| 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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Ren, Guogang
University of Hertfordshire
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (22/22 displayed)
- 2024Enhanced photocatalytic degradation of diazinon using Ni:ZnO/Fe3O4 nanocomposite under solar lightcitations
- 2024Structural and thermal analyses in semiconducting and metallic zigzag single-walled carbon nanotubes using molecular dynamics simulationscitations
- 2024Structural and thermal analyses in semiconducting and metallic zigzag single-walled carbon nanotubes using molecular dynamics simulations
- 2023Exploring mesoporous silica nanoparticles as oral insulin carriers: In-silico and in vivo evaluationcitations
- 2021Exploiting the antiviral potential of intermetallic nanoparticlescitations
- 2021Antiviral Efficacy of Metal and Metal Oxide Nanoparticles against the Porcine Reproductive and Respiratory Syndrome Viruscitations
- 2021Mechanical properties of 3-D printed truss-like lattice biopolymer non-stochastic structures for sandwich panels with natural fibre composite skins
- 2020Comparative Study of the Antimicrobial Effects of Tungsten Nanoparticles and Tungsten Nanocomposite Fibres on Hospital Acquired Bacterial and Viral Pathogenscitations
- 2019Co-Culture of Keratinocyte-Staphylococcus aureus on Cu-Ag-Zn/CuO and Cu-Ag-W Nanoparticle Loaded Bacterial Cellulose:PMMA Bandagescitations
- 2019Mechanical properties of 3-D printed truss-like lattice biopolymer non-stochastic structures for sandwich panels with natural fibre composite skinscitations
- 2019A scale-up of energy-cycle analysis on processing non-woven flax/PLA tape and triaxial glass fibre fabric for composites
- 2019A scale-up of energy-cycle analysis on processing non-woven flax/PLA tape and triaxial glass fibre fabric for compositescitations
- 2019Synergistic Antibacterial Effects of Metallic Nanoparticle Combinationscitations
- 2018Co-Culture of Keratinocyte-Staphylococcus aureus on Cu-Ag-Zn/CuO and Cu-Ag-W Nanoparticle Loaded Bacterial Cellulose:PMMA Bandagescitations
- 2017Characterisation of chemical composition and structural features of novel antimicrobial nanoparticlescitations
- 2012Mechanical properties of glass silicate based composites : effects of varying fibre volume fractions
- 2012Antimicrobial properties of electrically formed elastomeric polyurethane–copper oxide nanocomposites for medical and dental applicationscitations
- 2012Mechanical properties of glass silicate based compositescitations
- 2010Hemp fibre as alternative to glass fibre in sheet moulding compound. Part 1 : influence of fibre content and surface treatment on mechanical properties
- 2008Determination of the complex permittivity of textiles and leather in the 14-40 mm wave band using a free-wave transmittance only method
- 2007Mechanical properties of carbon-fibre reinforced silicate matrix compositescitations
- 2004Low cost ceramic moulding compositescitations
Places of action
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article
Structural and thermal analyses in semiconducting and metallic zigzag single-walled carbon nanotubes using molecular dynamics simulations
Abstract
<jats:p>Equilibrium molecular dynamics (EMD) simulations have been performed to investigate the structural analysis and thermal conductivity (<jats:italic>λ</jats:italic>) of semiconducting (8,0) and metallic (12,0) zigzag single-walled carbon nanotubes (SWCNTs) for varying ±<jats:italic>γ</jats:italic>(%) strains. For the first time, the present outcomes provide valuable insights into the relationship between the structural properties of zigzag SWCNTs and corresponding thermal behavior, which is essential for the development of high-performance nanocomposites. The radial distribution function (RDF) has been employed to assess the buckling and deformation understandings of the (8,0) and (12,0) SWCNTs for a wide range of temperature <jats:italic>T</jats:italic>(K) and varying ±<jats:italic>γ</jats:italic>(%) strains. The visualization of SWCNTs shows that the earlier buckling and deformation processes are observed for semiconducting SWCNTs as compared to metallic SWCNTs for high <jats:italic>T</jats:italic>(K) and it also evident through an abrupt increase in RDF peaks. The RDF and visualization analyses demonstrate that the (8,0) SWCNTs can more tunable under compressive than tensile strains, however, the (12,0) zigzag SWCNTs indicate an opposite trend and may tolerate more tensile than compressive strains. Investigations show that the tunable domain of ±<jats:italic>γ</jats:italic>(%) strains decreases from (-10%≤ <jats:italic>γ</jats:italic> ≤+19%) to (-5%≤ <jats:italic>γ</jats:italic> ≤+10%) for (8,0) SWCNTs and the buckling process shifts to lower ±<jats:italic>γ</jats:italic>(%) for (12,0) SWCNTs with increasing <jats:italic>T</jats:italic>(K). For intermediate-high <jats:italic>T</jats:italic>(K), the <jats:italic>λ</jats:italic>(<jats:italic>T</jats:italic>) of (12,0) SWCNTs is high but the (8,0) SWCNTs show certainly high <jats:italic>λ</jats:italic>(<jats:italic>T</jats:italic>) for low <jats:italic>T</jats:italic>(K). The present <jats:italic>λ</jats:italic>(<jats:italic>T</jats:italic>, ±<jats:italic>γ</jats:italic>) data are in reasonable agreement with parts of previous NEMD, GK-HNEMD data and experimental investigations with simulation results generally under predicting the <jats:italic>λ</jats:italic>(<jats:italic>T</jats:italic>, ±<jats:italic>γ</jats:italic>) by the ∼1% to ∼20%, regardless of the ±<jats:italic>γ</jats:italic>(%) strains, depending on <jats:italic>T</jats:italic>(K). Our simulation data significantly expand the strain range to -10% ≤ γ ≤ +19% for both zigzag SWCNTs, depending on temperature <jats:italic>T</jats:italic>(K). This extension of the range aims to establish a tunable regime and delve into the intrinsic characteristics of zigzag SWCNTs, building upon previous work.</jats:p>