Thermodynamic, Structural and Transport Properties of Lennard-Jones Liquid Systems. A Molecular Dynamics Simulations of Liquid Helium, Neon, Methane and Nitrogen

Molecular dynamics calculations are carried out in order to find the properties of Lennard Jones liquids in different state points of their phase diagram. The spherical shape and the stability of the helium, neon, methane and nitrogen make the liquids easily accessible to numerical simulation. Thermodynamic, structural, and transport properties are studied and compared with both experimental data and recent theoretical investigations. In the present work, up to 22 state points are covered, some of which are near or at the triple point. It will be shown that the classical approach leads to data that are in very good agreement with experiments and other types of calculations. At high temperatures and low densities, we observe a decrease in the uncertainties in the stress autocorrelation function by increasing the number of iterations

Modeling and optimization of core (p-GaN)-multishell (i-InxGa1-xN/i-GaN/n-Al0.1Ga0.9N /n-GaN) nanowire for photovoltaic applications

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Modeling and optimization of core/shell p-i-n Si/Si0.2Ge0.8 nanowire for photovoltaic

International audienceIn this work we propose a modeling and simulation of core/shell p-i-n Si/Si0.2Ge0.8 nanowire for photovoltaic. In the first step of this work, we have compared the core/shell p-i-n homo-junction Si and heterojunction Si/Si0.2Ge0.8 Nanowire (NW) solar cell having a length of 3 mu m and a radius of 0.19 mu m, by studying their current-voltage and external quantum efficiency (EQE). Our results have shown that blending Silicon with 80% of Germanium enhances relatively the short circuit current and efficiency by 3.04% and 8.48% respectively. In other hand, the absorption edge of Silicon NW has extended from 1100 nm to 1200 nm, with a gain of EQE of 15% obtained in this range. In the second part, we have tried to optimize the Si/Si0.2Ge0.8 structure, by varying their radius and length. The corresponding results have indicated that a radius of 0.28 mu m and a length of 10 pm are the optimal geometric parameters for any optimization of such structure. (C) 2017 Elsevier GmbH. All rights reserved

Microwave assisted nanoparticle surface functionalization

1 - ArticleWe introduce the input of microwave energy to elaborate a multimodal magnetic nanoplatform. This magnetic nanomaterial consists of superparamagnetic gamma Fe(2)O(3) nanoparticles conjugated to hydroxymethylene bisphosphonate (HMBP) molecules with an amine function as the terminal group. The feasibility of such a process is illustrated by the coupling of Rhodamine B to the hybrid magnetic nanomaterial. Using a microwave we manage to have approximately a 50 fold increase in molecules per nanoparticle compared to conventional procedures. Moreover we show that the amount of Rhodamine on the nanoparticle surface could be tuned using various stoichiometric ratios. The presence of Rhodamine B on the nanoparticle surface provides an amphiphilic character to facilitate penetration into the cells

Magnetoliposome for alendronate delivery

1 - ArticleEncapsulation into liposomes has been developed in order to allow protection of therapeutical agents against enzymatic degradation, and to reduce doses and toxic side effects. Selective, targeted and controlled release of the drug out of the lipid vesicle is still, however, difficult to achieve. Meanwhile, thanks to their magnetic properties, superparamagnetic iron oxide (SPIO) nanoparticles have also been considered as good delivery vehicles after grafting a therapeutic drug on their surface. A combination of both properties (magnetic targeting and drug encapsulation) is evaluated to deliver an anticancer drug : alendronate, an hydroxymethylene bisphosphonate molecule. gamma-Fe(2)O(3) nanocrystals grafted with alendronate were tested with or without liposome encapsulation, with and without magnetic field, on three human cancer cell lines, MDA-MB231, A431 and U87-MG. Cytotoxicity was measured as well as drug internalization. While results were not identical on the three cell lines with the different formulations, an effective 100% cytotoxic effect could only be achieved with alendronate grafted-SPIO entrapped into liposomes and exposed to a magnetic field

Influence of ion species of AuSi liquid metal alloy source-focused ion beam on SiO2/Si nanopatterning

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Contacting of Si/SiO2 core/shell nanowires using laser photolithography

International Conference on Technologies and Materials for Renewable Energy, Environment and Sustainability (TMREES), Beirut, LEBANON, APR 21-24, 2017International audienceThe contamination results of extended ion or electron beam irradiation, the type of substrate used, the time required to contact a set of nanowires to gain accurate acknowledge on nanowires properties are the main limitations of focused ion beam (FIB) and electron beam lithography (EBL) techniques for nanowires characterization. We present in this latter, a direct writing technique which is laser photolithography to contact a set of core/shell Si/SiO2 nanowires fabricated by 30 KeV AuSi liquid metal alloy source focused ion beam LMAIS-FIB using Au+ ions to allow forward the electrical characterization of these nanowires

PEGylated Versus Non-PEGylated γ Fe2O3@Alendronate Nanoparticles

Thanks to their magnetic properties, superparamagnetic iron oxide nanoparticles are considered as a good delivery vehicle after grafting a therapeutical drug on their surface. For additional "stealth" characteristics, PEGylation of surfaces is necessary. The presence of PEG chains divert nanoparticles from their preferred target, the liver macrophages and increased the particle time circulation. In this work, PEG chain is added to an anticancer drug Alendronate. This molecule is grafted on iron oxide nanoparticle surface in one step surface functionalization method. The in vitro cytotoxic efficiency of γ-Fe 2 O 3-Alendronate-PEG nanocrystals is compared with that of free Alendronate, Alendronate-PEG and γ-Fe 2 O 3-Alendronate nanocrystals