Search results for " SIMULATIONS"

Anomalous surface diffusion of protons on lipid membranes.

2014

AbstractThe cellular energy machinery depends on the presence and properties of protons at or in the vicinity of lipid membranes. To asses the energetics and mobility of a proton near a membrane, we simulated an excess proton near a solvated DMPC bilayer at 323 K, using a recently developed method to include the Grotthuss proton shuttling mechanism in classical molecular dynamics simulations. We obtained a proton surface affinity of −13.0 ± 0.5 kJ mol−1. The proton interacted strongly with both lipid headgroup and linker carbonyl oxygens. Furthermore, the surface diffusion of the proton was anomalous, with a subdiffusive regime over the first few nanoseconds, followed by a superdiffusive re…

Non-uniform doping concentration CIGS absorber profile for highefficiency solar cells

2016

The quaternary chalcopyrite semiconductor alloy Cu(In,Ga)Se2 (CIGS) is nowadays commonly considered one of the most suitable materials to fabricate cost-effective and high-efficiency photovoltaic cells. Thanks to the optical and structural properties of the absorber layer and to the tunable bandgap, thin-film CIGS cells have reached efficiencies around 20%, not far from the maximum values of traditional crystalline silicon cells. This high efficiency, together with the conceivable low fabrication costs, makes CIGS cells a promising alternative to silicon technology for large-scale production. In order to further improve the cells performance, in a previous work we have already proposed a si…

Prise en eau par composites carbone/époxy et leur effet sur le comportement mécanique : application aux réparations de structures en composite par co…

2013

Le travail présenté dans ce mémoire avait pour objectif d’étudier le processus de la pénétration d'eau dans les composites en carbone/époxyde dans un premier temps, et dans un deuxième temps, d’étudier l’effet de la prise en eau par ces matériaux sur les performances mécaniques des composites et leur joints collés. L'intégration de ces phénomènes physiques dans la modélisation numérique est d'une grande importance dans la prédiction de la durabilité d’une structure en composite subissant un vieillissement hygrothermique. Par conséquent, ce travail consiste non seulement en des observations expérimentales, mais aussi en des simulations numériques. Des corrélations entre les résultats obtenus…

Dynamics of Two Picophytoplankton Groups in Mediterranean Sea: Analysis of the Deep Chlorophyll Maximum by a Stochastic Advection-Reaction-Diffusion …

2013

A stochastic advection-reaction-diffusion model with terms of multiplicative white Gaussian noise, valid for weakly mixed waters, is studied to obtain the vertical stationary spatial distributions of two groups of picophytoplankton, i.e., picoeukaryotes and Prochlorococcus, which account about for 60% of total chlorophyll on average in Mediterranean Sea. By numerically solving the equations of the model, we analyze the one-dimensional spatio-temporal dynamics of the total picophytoplankton biomass and nutrient concentration along the water column at different depths. In particular, we integrate the equations over a time interval long enough, obtaining the steady spatial distributions for th…

Numerical simulations of wind-loaded floating solar panels

2021

Homology models of melatonin receptors: challenges and recent advances

2013

Melatonin exerts many of its actions through the activation of two G protein-coupled receptors (GPCRs), named MT1 and MT2. So far, a number of different MT1 and MT2 receptor homology models, built either from the prototypic structure of rhodopsin or from recently solved X-ray structures of druggable GPCRs, have been proposed. These receptor models differ in the binding modes hypothesized for melatonin and melatonergic ligands, with distinct patterns of ligand-receptor interactions and putative bioactive conformations of ligands. The receptor models will be described, and they will be discussed in light of the available information from mutagenesis experiments and ligand-based pharmacophore …

Power Quality Savings with Controlled Fault-Tolerant Power Converters

2011

Power quality is simply the interaction of electrical power with electrical equipments. If electrical equipments operate correctly and reliably without being damaged or stressed, a suitable level of power quality is assured. On the other hand, if the electrical equipment malfunctions, is unreliable, or is damaged during normal usage, power quality is poor and probably the economical loss could be preeminent over the technical one. In the scenario of the Distributed generation power quality issues will be more- over important because an higher dissemination of power conditioning equip- ment will be requested and this obviously will increase the sources of vulnera- bility for the electrical s…

Reactive transport modelling of carbonate cementation in a deep saline aquifer, the Middle Jurassic Oolithe Blanche Formation, Paris Basin, France.

2016

10 pages; International audience; The Oolithe Blanche Formation (Bathonian, Middle Jurassic) is one of the deep saline aquifers of the Paris Basin in France. The spatial distribution of its reservoir properties (porosity, permeability, tortuosity, etc.) is now better known with relatively homogeneous properties, except for some levels in the central part of the basin, where permeability exhibits higher values. This spatial distribution has been correlated with diagenetic events (variability of cementation) and palaeo-fluid flow circulation phases leading to variable cementation. In this paper, numerical simulations of reactive transport are performed. They provide a preliminary quantitative…

Timing the US Stock Market Using Moving Averages and Momentum Rules: An Extensive Study

2017

Master's thesis Business Administration BE501 - University of Agder 2017 In this thesis we investigate the performance of moving average and momentum strategies by simulating returns, both in-sample and out-of-sample, while simultaneously taking into account important market frictions. We do so for two stock indices and four stock portfolios, at daily and monthly frequency, in the period from 1928 to 2015. This is carried out in order to examine if the active strategies outperform the passive benchmark on a risk-adjusted basis, and to see if the trading rules pro table when tested in-sample also are pro table out-of-sample. In addition, and for the rst time, we examine the relevance of data…

Micropollutants throughout an integrated urban drainage model: Sensitivity and uncertainty analysis

2017

Abstract The paper presents the sensitivity and uncertainty analysis of an integrated urban drainage model which includes micropollutants. Specifically, a bespoke integrated model developed in previous studies has been modified in order to include the micropollutant assessment (namely, sulfamethoxazole – SMX). The model takes into account also the interactions between the three components of the system: sewer system (SS), wastewater treatment plant (WWTP) and receiving water body (RWB). The analysis has been applied to an experimental catchment nearby Palermo (Italy): the Nocella catchment. Overall, five scenarios, each characterized by different uncertainty combinations of sub-systems (i.e…