Search results for "imulation"

Water effects on saccharide matrices studied with molecular dynamics

2013

Mechanisms of irreversible aquaporin-10 inhibition by organogold compounds studied by combined biophysical methods and atomistic simulations

2021

Abstract The inhibition of glycerol permeation via human aquaporin-10 (hAQP10) by organometallic gold complexes has been studied by stopped-flow fluorescence spectroscopy, and its mechanism has been described using molecular modelling and atomistic simulations. The most effective hAQP10 inhibitors are cyclometalated Au(III) C^N compounds known to efficiently react with cysteine residues leading to the formation of irreversible C–S bonds. Functional assays also demonstrate the irreversibility of the binding to hAQP10 by the organometallic complexes. The obtained computational results by metadynamics show that the local arylation of Cys209 in hAQP10 by one of the gold inhibitors is mapped int…

Relaxation of a weakly discontinuous functional depending on one control function

2008

The paper considers an optimal control problem of the typewhere the set M of admissible controls consists of all measurable vector‐functions h, which can take only two values h1 or h2. It is shown that the relaxation of this problem can be explicitly computed by rank‐one laminates.

Evaluation of biocidal potential of some plant species from the Mediterranean wild flora

Practice for determining friction in hydraulic winch systems

2020

This paper presents a method for estimating friction in hydraulic active heave compensated (AHC) offshore winches. The method is a two-step approach where the first step is to model the friction loss in the hydraulic motors based on data from the sub-supplier. The second step requires real-life testing, where the remaining friction losses in the winch system is identified and modeled. In this context, a practice is characterized by obtaining a friction loss estimation with the highest possible accuracy over the widest possible range of operating conditions with a limited amount of experimental work. The method benefits from the use of parametric models, sub-supplier data, and real-life meas…

Fractional calculus approach for the representation of power spectral densities and correlation functions in wind engineering

2010

The paper deals with the digital simulation of wind velocity samples by Fractional Spectral Moment function. It is shown that such a function represents a third useful way to characterize a stationary Gaussian stochastic process, alongside the power spectral density and the correlation function. The method is applied to wind velocity fields whose power spectra is given by the Kaimal’s, the Davenport’s and the Solari’s representation. It is shown that by constructing a digital filter whose coefficients are the fractional spectral moments, it is possible to simulate samples of the target process as superposition of Riesz fractional derivatives of Gaussian white noise processes.

Resource Allocation and Computation Offloading for Wireless Powered Mobile Edge Computing

2022

In this paper, we investigate a resource allocation and computation offloading problem in a heterogeneous mobile edge computing (MEC) system. In the considered system, a wireless power transfer (WPT) base station (BS) with an MEC sever is able to deliver wireless energy to the mobile devices (MDs), and the MDs can utilize the harvested energy for local computing or task offloading to the WPT BS or a Macro BS (MBS) with a stronger computing server. In particular, we consider that the WPT BS can utilize full- or half-duplex wireless energy transmission mode to empower the MDs. The aim of this work focuses on optimizing the offloading decision, full/half-duplex energy harvesting mode and energ…

Properties of zeros of solutions to third order nonlinear differential equations

2013

We investigate the behavior of zeros of solutions to the certain type of third order nonlinear differential equations. We show that the behavior of zeros may be rather different and depend on the nature of nonlinearity in the equation. Main results in the paper are illustrated with a number of examples.

Statistical Approximation of Fourier Transform-IR Spectroscopy Data for Zinc White Pigment from Twentieth-Century Russian Paintings

2017

We present a statistical model for approximation of experimental Fourier transform-IR spectroscopy (FTIR) data for paint samples from paintings of different ages. The model utilizes random variations in some parameters (initial ageing rate, degree of change in ageing rate and time at which the change occurs). We determine the parameters characterizing variation in the paint composition and the storage conditions for the paintings. The numerical calculation is qualitatively consistent with the experimental data. In the proposed model, changes in the initial composition of the paint and the storage conditions make about the same contribution to the experimentally observed scatter in the data …

Simulation de scénarios d’urbanisation pour estimer l’impact écologique du développement résidentiel et des évolutions de trafic associées

2015

National audience; La maîtrise de l’étalement urbain repré¬sente actuellement une préoccupation ma¬jeure en aménagement face au nombre im¬portant de nuisances induites par le phénomène. Sur le plan paysager, la croissance des villes se produit aux dépens des milieux naturels et agricoles, ce qui contribue à la fragmentation et à la réduction des habitats de la faune sauvage. Il est donc souhaitable de trouver un compromis entre les implantations résidentielles et la connectivité des habitats écologiques afin d’assurer la durabilité des populations animales. La recherche de ce compromis suppose une concertation entre les différents acteurs de l’aménagement du territoire et de l’environnement…