Search results for "SIMULATION"

Single cigar-shaped nanopores functionalized with amphoteric amino acid chains: experimental and theoretical characterization.

2012

We present an experimental and theoretical characterization of single cigar-shaped nanopores with pH-responsive carboxylic acid and lysine chains functionalized on the pore surface. The nanopore characterization includes (i) optical images of the nanostructure obtained by FESEM; (ii) different chemical procedures for the nanopore preparation (etching time and functionalizations; pH and electrolyte concentration of the external solution) allowing externally tunable nanopore responses monitored by the current-voltage (I-V) curves; and (iii) transport simulations obtained with a multilayer nanopore model. We show that a single, approximately symmetric nanopore can be operated as a reconfigurab…

Influence of cerium content and heat treatment on Ce:YAG@glass wool nanostructures

2019

The paper reports the influence of cerium content and heat treatment on composition, structural features and optical properties of nanostructures constituted by a layer of Ce:YAG nanoparticles on glass wool (Ce:YAG@GW). The Ce:YAG@GW nanostructures were obtained embedding the glass wool (GW) in a gel-like precursor and calcining at 800 and 900 °C. Gel-like precursor of urea glass route (UGR) method has been used to prepare both nanostructures and Ce:YAG nanoparticles prepared as references. Structural properties were investigated by using X-ray diffraction (XRD) and infrared spectroscopy (IR). Results showed that the composition of the final products strongly depends both on the cerium cont…

Molecular dynamics simulations of capillary rise experiments in nanotubes coated with polymer brushes.

2007

The capillary filling of a nanotube coated with a polymer brush is studied by molecular dynamics simulations of a coarse-grained model, assuming various conditions for the fluid-wall and fluid-brush interactions. Whereas the fluid is modeled by simple point particles interacting with Lennard-Jones forces, the (end-grafted, fully flexible) polymers that form the brush coating are described by a standard bead-spring model. Our experiments reveal that capillary filling is observed even for walls that would not be wetted by the fluid, provided the polymer brush coating itself wets. Generally, it is found that the capillary rise always proceeds through a t1/2 law with time t while the underlying…

Launching propagating surface plasmon polaritons by a single carbon nanotube dipolar emitter.

2011

International audience; We report on the excitation of propagating surface plasmon polaritons in thin metal films by a single emitter. Upon excitation in the visible regime, individual semiconducting single-walled carbon nanotubes are shown to act as directional near-infrared point dipole sources launching propagating surface plasmons mainly along the direction of the nanotube axis. Plasmon excitation and propagation is monitored in Fourier and real space by leakage radiation microscopy and is modeled by rigorous theoretical calculations. Coupling to plasmons almost completely reshapes the emission of nanotubes both spatially and with respect to polarization as compared to photoluminescence…

A direct comparison of 2D versus 3D diffusion analysis at nanowire electrodes: A finite element analysis and experimental study

2022

In electroanalysis, the benefits accrued by miniaturisation are a key driver in sensor development. Finite element simulations of electrochemical processes occurring at ultramicro- and nano-electrodes are used to provide key insight into experimental design in relation to diffusion profiles and expected currents. The most commonly used method, the diffusion domain approach (DDA) offers a means of reducing a three dimensional design to two dimensions to ease computational demands. However, the DDA approach can be limited when using basic assumptions which can be incorrect, for example that all electrodes in an array are equivalent. Consequently, to get a more realistic view of molecular diff…

The generalized plane piezoelectric problem: Theoretical formulation and application to heterostructure nanowires

2016

We present a systematic methodology for the reformulation of a broad class of three-dimensional (3D) piezoelectric problems into a two-dimensional (2D) mathematical form. The sole underlying hypothesis is that the system geometry and material properties as well as the applied loads (forces and charges) and boundary conditions are translationally invariant along some direction. This class of problems is commonly denoted here as the generalized plane piezoelectric (GPP) problem. The first advantage of the generalized plane problems is that they are more manageable from both analytical and computational points of view. Moreover, they are flexible enough to accommodate any geometric cross secti…

A Comparison of Direct Numerical Simulation and Turbulence Models for Liquid Metal Free Convection in Volumetrically Heated Enclosures

1999

Computer-aided study of the gas flow within a natural gas storage and the associated collection network

2017

The current paper presents a computer-aided analysis of the way in which a natural gas storage created in a depleted gas deposit and the associated gas collection network are operated, both during the extraction phase and during the injection phase. In a first step, an analysis is carried out on a two-dimensional, nonstationary model for the gas storage, based on the deposit’s geometry and the rock properties, but also on the gas motions. Also, a dynamic simulation of the injection and extraction processes is unfolded, allowing the study and optimisation of elements such as well placement and gas flows through the wells with the goal of maximising the storable gas quantities. A second model…

Extraction and fusion of spectral parameters for face recognition

2011

This is the copy of journal's version originally published in Proc. SPIE 7877: http://spie.org/x10.xml?WT.svl=tn7. Reprinted with permission of SPIE. Many methods have been developed in image processing for face recognition, especially in recent years with the increase of biometric technologies. However, most of these techniques are used on grayscale images acquired in the visible range of the electromagnetic spectrum. The aims of our study are to improve existing tools and to develop new methods for face recognition. The techniques used take advantage of the different spectral ranges, the visible, optical infrared and thermal infrared, by either combining them or analyzing them separately …

Net Zeb case studies. Leaf House

2015

In this book, accomplished international experts present advanced modeling techniques as well as in-depth case studies meant to lead designers towards the optimal use of simulation tools for the design of net-zero energy buildings (Net ZEBs). The book discusses different design processes and tools used in designing Net ZEBs, starting from the fundamental concepts, design strategies, and technologies. These processes and tools are then evaluated by referring to four diverse Net ZEBs where the authors were intimately involved from the design concept to operation. The high resolution measured performance data from these case studies are compared with the predictions made using the respective d…