Search results for "Simulation."
showing 10 items of 4779 documents
Liquid chromatography‐Orbitrap Tribrid high‐resolution mass spectrometry using data dependent‐tandem mass spectrometry with triple stage fragmentatio…
2021
A new, fast, and automatic approach has been applied for the tentative identification of unknown substances released by food contact epoxy resin after performing a migration test with food simulant. This approach combines intelligent data acquisition with AcquireX linked to liquid chromatography-Orbitrap Tribrid high-resolution mass spectrometry using data dependent-tandem mass spectrometry with triple stage fragmentation coupled to Compound Discoverer™ software for automated data processing and compound identification. The identification of the observed features was performed using a set of identification criteria, including exact mass, isotope pattern, tandem mass spectrometry spectra mat…
Estimation of formamide harmonic and anharmonic modes in the Kohn-Sham limit using the polarization consistent basis sets.
2010
Formamide harmonic and anharmonic frequencies of fundamental vibrations in the gas phase and in several solvents were successfully estimated in the B3LYP Kohn-Sham complete basis set limit (KS CBS). CBS results were obtained by extrapolating a power function (two-parameter formula) to the results calculated with polarization-consistent basis sets. Anharmonic corrections using the second order perturbation treatment (PT2) and hybrid B3LYP functional combined with polarization consistent pc-n (n = 0, 1, 2, 3, 4) and several Pople’s basis sets were analyzed for all fundamental formamide vibrational modes in the gas phase and solution. Solvent effects were modeled within a PCM method. The anhar…
La dynamique des systèmes selon J.W. Forrester
2006
National audience; Cet article présente la dynamique des systèmes. Dans le cadre de la théorie générale des systèmes de L. von Bertalanffy, la dynamique des systèmes de J.W. Forrester s'intéresse à la façon dont se produisent les changements à l'intérieur des systèmes étudiés. C'est une méthode de modélisation apparue dans les années 60, lorsque J.W. Forrester était professeur à la "Sloan School of Management" du MIT et développée en France à partir de 1980, lors de la traduction en français de son livre intitulé « Principes des Systèmes ». Les modèles permettant d'appréhender la dynamique d'un système se fondent sur les concepts d'interaction, de rétroaction et de complexité.
Hard-wall interactions in soft matter systems: Exact numerical treatment
2011
An algorithm for handling hard-wall interactions in simulations of driven diffusive particle motion is proposed. It exploits an exact expression for the one-dimensional transition probability in the presence of a hard (reflecting) wall and therefore is numerically exact in the sense that it does not introduce any additional approximation beyond the usual discretization procedures. Studying two standard situations from soft matter systems, its performance is compared to the heuristic approaches used in the literature.
Fractional calculus for the solution of non-linear stochastic oscillators with viscous dampers devices
2009
Fluid viscoelastic dampers are of great interest in different fields of engineering. Examples of their applications can be found in seismic mitigation design of structures or in vibration absorption in airplane suspension. Such devices introduce a non-linear dissipative term in the equation of motion and therefore, the solution of even a single degree of freedom system excited by a white noise process, becomes prohibitive. The solution is usually obtained by approximated methods, like the stochastic linearization technique. In this paper it is shown that, by means of fractional operators, it is possible to find the solution of oscillators provided with fluid viscoelastic devices, approachin…
FOUNDATIONS OF FRACTIONAL DYNAMICS
1995
Time flow in dynamical systems is reconsidered in the ultralong time limit. The ultralong time limit is a limit in which a discretized time flow is iterated infinitely often and the discretization time step is infinite. The new limit is used to study induced flows in ergodic theory, in particular for subsets of measure zero. Induced flows on subsets of measure zero require an infinite renormalization of time in the ultralong time limit. It is found that induced flows are given generically by stable convolution semigroups and not by the conventional translation groups. This could give new insight into the origin of macroscopic irreversibility. Moreover, the induced semigroups are generated …
A numerical approach for the modelling of forming limits in hot incremental forming of AZ31 magnesium alloy
2021
AbstractMagnesium alloys, because of their good specific material strength, can be considered attractive by different industry fields, as the aerospace and the automotive one. However, their use is limited by the poor formability at room temperature. In this research, a numerical approach is proposed in order to determine an analytical expression of material formability in hot incremental forming processes. The numerical model was developed using the commercial software ABAQUS/Explicit. The Johnson-Cook material model was used, and the model was validated through experimental measurements carried out using the ARAMIS system. Different geometries were considered with temperature varying in a…
Inter-Element Crack Propagation with High-Order Stress Equilibrium Element
2021
The present contribution proposes a formulation based on the use of hybrid equilibrium elements (HEEs), for the analysis of inter-element delamination and fracture propagation problems. HEEs are defined in terms of quadratic stress fields, which strongly verify both the homogeneous and inter-element equilibrium equations and they are employed with interfaces, initially exhibiting rigid behavior, embedded at the elements’ sides. The interface model is formulated in terms of the same degrees of freedom of the HEE, without any additional burden. The cohesive zone model (CZM) of the extrinsic interface is rigorously developed in the damage mechanics framework, with perfect adhesion at the pre-…
A Novel Approach to Propagation Pattern Analysis in Intracardiac Atrial Fibrillation Signals
2010
The purpose of this study is to investigate propagation patterns in intracardiac signals recorded during atrial fibrillation (AF) using an approach based on partial directed coherence (PDC), which evaluates directional coupling between multiple signals in the frequency domain. The PDC is evaluated at the dominant frequency of AF signals and tested for significance using a surrogate data procedure specifically designed to assess causality. For significantly coupled sites, the approach allows also to estimate the delay in propagation. The methods potential is illustrated with two simulation scenarios based on a detailed ionic model of the human atrial myocyte as well as with real data recordi…
Outside-host growth of pathogens attenuates epidemiological outbreaks.
2012
Opportunist saprotrophic pathogens differ from obligatory pathogens due to their capability in host-independent growth in environmental reservoirs. Thus, the outside-host environment potentially influences host-pathogen dynamics. Despite the socio-economical importance of these pathogens, theory on their dynamics is practically missing. We analyzed a novel epidemiological model that couples outside-host density-dependent growth to host-pathogen dynamics. Parameterization was based on columnaris disease, a major hazard in fresh water fish farms caused by saprotrophic Flavobacterium columnare. Stability analysis and numerical simulations revealed that the outside-host growth maintains high pr…