Search results for "Simulation."

showing 10 items of 4779 documents

A plant-wide energy model for wastewater treatment plants: application to anaerobic membrane bioreactor technology

2016

[EN] The aim of this study is to propose a detailed and comprehensive plant-wide model for assessing the energy demand of different wastewater treatment systems (beyond the traditional activated sludge) in both steady- and unsteady-state conditions. The proposed model makes it possible to calculate power and heat requirements (W and Q, respectively), and to recover both power and heat from methane and hydrogen capture. In order to account for the effect of biological processes on heat requirements, the model has been coupled to the extended version of the BNRM2 plant-wide mathematical model, which is implemented in DESSAS simulation software. Two case studies have been evaluated to assess t…

INGENIERIA HIDRAULICAEngineeringPlant-wide energy modelAnaerobic MBR020209 energyPortable water purificationWastewater treatment02 engineering and technologyWastewatercomputer.software_genreWaste Disposal FluidMethaneWater Purificationchemistry.chemical_compoundBioreactorsBNRM20202 electrical engineering electronic engineering information engineeringBioreactorEnvironmental ChemistryAnaerobiosisProcess engineeringWaste Management and DisposalTECNOLOGIA DEL MEDIO AMBIENTEWater Science and Technologybusiness.industryTemperatureEnvironmental engineeringMembranes ArtificialGeneral MedicineDESASSModels TheoreticalPower (physics)Simulation softwareActivated sludgeWastewaterchemistrySewage treatmentbusinessMethanecomputerEnvironmental Technology
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Numerical simulation of unsteady MHD flows and applications

2009

International audience; We present a robust numerical method for solving the compressible Ideal Magneto-Hydrodynamic equations. It is based on the Residual Distribution (RD) algorithms already successfully tested in many problems. We adapted the scheme to the multi-dimensional unsteady MHD model. The constraint ∇ · B = 0 is enforced by the use a Generalized Lagrange Multiplier (GLM) technique. First, we present this complete system and the keys to get its eigensystem, as we may need it in the algorithm. Next, we introduce the numerical scheme built in order to get a compressible, unsteady and implicit solver which has good shock-capturing properties and is second-order accurate at the conve…

Ideal (set theory)Computer simulationComputer scienceNumerical analysisGeneral Physics and AstronomySolver01 natural sciences010305 fluids & plasmasConstraint (information theory)symbols.namesakeLagrange multiplier0103 physical sciencesCompressibilitysymbols[INFO.INFO-DC] Computer Science [cs]/Distributed Parallel and Cluster Computing [cs.DC]Applied mathematicsElectrical and Electronic EngineeringMagnetohydrodynamics[INFO.INFO-DC]Computer Science [cs]/Distributed Parallel and Cluster Computing [cs.DC]010306 general physics
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Methods for Experimentally Determining Stiffness of a Multi-Axis Machining Centre

2019

This paper deals with global methods for experimentally determining the static stiffness of multi-axis machining centres. Different devices used for measuring deflection, in specific, are explored, where accuracy and usability are highlighted. The methods were tested on a 3-axis CNC milling machine, 2-axis trunnion table and a 6-DOF industrial robot.

Identification3-axisComputer scienceMulti axisCNC machineStiffnessMechanical engineeringlcsh:QA75.5-76.95StiffnessComputer Science ApplicationsComputer Science::Robotics5-axisMachiningControl and Systems EngineeringModeling and Simulationmedicinelcsh:Electronic computers. Computer scienceIndustrial robotmedicine.symptomSoftwareComputingMethodologies_COMPUTERGRAPHICSModeling, Identification and Control: A Norwegian Research Bulletin
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A Saturation Model of the Synchronous Reluctance Motor and its Identification by Genetic Algorithms

2018

This paper proposes a complete saturation model of the Synchronous Reluctance Motor (Syn1231), accounting for both the self-saturation and cross-saturation effects. This model is based on an analytical relationship between the stator flux and current components, and is characterized by parameters presenting an interesting physical interpretation, differently from many other saturation model in the scientific literature. It proposes also an identification technique of such a model based on stand-still tests, without the need of locking the rotor. The proposed saturation model permits the complete description of the magnetic behaviour of the machine with 8 parameters, fewer than those require…

IdentificationComputer simulationComputer scienceStator05 social sciences020207 software engineering02 engineering and technologylaw.inventionSettore ING-INF/04 - AutomaticaControl theorylawMagnetic characteristicParameters' estimationGenetic algorithm0202 electrical engineering electronic engineering information engineeringSuperimposition0501 psychology and cognitive sciencesMagnetic characteristicsSynchronous Reluctance Motor (SynRM)Synchronous reluctance motorSaturation (magnetic)050107 human factors2018 IEEE Energy Conversion Congress and Exposition (ECCE)
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Multifacet structure of observed reconstructed integral images.

2005

Three-dimensional images generated by an integral imaging system suffer from degradations in the form of grid of multiple facets. This multifacet structure breaks the continuity of the observed image and therefore reduces its visual quality. We perform an analysis of this effect and present the guidelines in the design of lenslet imaging parameters for optimization of viewing conditions with respect to the multifacet degradation. We consider the optimization of the system in terms of field of view, observer position and pupil function, lenslet parameters, and type of reconstruction. Numerical tests are presented to verify the theoretical analysis.

Image qualityComputer scienceInformation Storage and RetrievalField of viewIterative reconstructionLensletModels BiologicalSensitivity and SpecificityUser-Computer InterfaceOpticsImaging Three-DimensionalArtificial IntelligencePupil functionImage Interpretation Computer-AssistedComputer GraphicsHumansComputer SimulationIntegral imagingModels Statisticalbusiness.industryReproducibility of ResultsObserver (special relativity)GridImage EnhancementAtomic and Molecular Physics and OpticsElectronic Optical and Magnetic MaterialsVisual PerceptionComputer Vision and Pattern RecognitionbusinessAlgorithmsJournal of the Optical Society of America. A, Optics, image science, and vision
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Permeability network model for non-crimp fabrics

2006

In this work a global permeability model is developed and applied to a biaxial Non-crimp stitched fabric (NCF). This model focuses on a detailed meso-scale description of the fabric geometry, which takes into account the local permeability distribution in a fabric due to perturbations of the geometry as well as the geometrical features which arise from the stitching process. It is shown in this work that these features significantly affects the global permeability. The influence of the amount and type of perturbation of a fabric is also studied in this work. It is shown that perturbation of the fabric geometry affect the global permeability but not as much as the stitching process. The mode…

Image stitchingMaterials scienceComputer simulationMechanics of Materialsbusiness.industryCeramics and CompositesCrimpPerturbation (astronomy)Fluid mechanicsComputational fluid dynamicsComposite materialbusinessNetwork modelComposites Part A: Applied Science and Manufacturing
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Heavy-Ion Radiation Impact on a 4 Mb FRAM Under Different Test Modes and Conditions

2016

International audience; The impact of heavy-ions on commercial Ferroelectric Memories (FRAMs) is analyzed. The influence of dynamic and static test modes as well as several stimuli on the error rate of this memory is investigated. Static test results show that the memory is prone to temporary effects occurring in the peripheral circuitry, with a possible effect due to fluence. Dynamic tests results show a high sensitivity of this memory to switching activity of this peripheral circuitry.

ImaginationNuclear and High Energy PhysicsHeavy ion radiationMaterials science130 nmmedia_common.quotation_subject[PHYS.NEXP]Physics [physics]/Nuclear Experiment [nucl-ex]01 natural sciencesFluence[SPI]Engineering Sciences [physics]0103 physical sciencesStatic testingSensitivity (control systems)Electrical and Electronic Engineeringradiation testingSimulationmedia_common010302 applied physicssingle event upset (SEU)ta114ta213010308 nuclear & particles physicsbusiness.industrymultiple cell upset (MCU)FerroelectricityNon-volatile memoryRadiation testingFRAM130nm technologyNuclear Energy and EngineeringOptoelectronicsbusinessstatic and dynamic mode testingIEEE Transactions on Nuclear Science
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Scalable Constant pH Molecular Dynamics in GROMACS

2022

Molecular dynamics (MD) computer simulations are used routinely to compute atomistic trajectories of complex systems. Systems are simulated in various ensembles, depending on the experimental conditions one aims to mimic. While constant energy, temperature, volume, and pressure are rather straightforward to model, pH, which is an equally important parameter in experiments, is more difficult to account for in simulations. Although a constant pH algorithm based on the λ-dynamics approach by Brooks and co-workers [Kong, X.; Brooks III, C. L. J. Chem. Phys.1996, 105, 2414–2423] was implemented in a fork of the GROMACS molecular dynamics program, uptake has been rather limited, presumably due to…

ImidazolesmolekyylitpotentiaalienergiaHydrogen-Ion ConcentrationMolecular Dynamics Simulationmonomerspeptides and proteinsreaktiomekanismitmolecular mechanicspotential energyComputer Science Applicationsreaction mechanismspeptiditHumansmolekyylidynamiikkaproteiinitPhysical and Theoretical ChemistryAlgorithms
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Structural Determinants for the Mode of Action of Imidazopyridine DS2 at δ-Containing γ-Aminobutyric Acid Type A Receptors

2021

Despite the therapeutic relevance of δ-containing γ-aminobutyric acid type A receptors (GABAARs) and the need for δ-selective compounds, the structural determinants for the mode and molecular site of action of δ-selective positive allosteric modulator imidazo[1,2-a]pyridine DS2 remain elusive. To guide the quest for insight, we synthesized a series of DS2 analogues guided by a structural receptor model. Using a fluorescence-based fluorometric imaging plate reader membrane potential assay, we found that the δ-selectivity and the pharmacological profile are severely affected by substituents in the 5-position of the imidazopyridine core scaffold. Interestingly, the 5-methyl, 5-bromo, and 5-chl…

ImidazopyridineAllosteric modulatorPyridinesStereochemistryAllosteric regulationLigands01 natural sciencesAminobutyric acidStructure-Activity Relationship03 medical and health sciencesAllosteric RegulationDrug DiscoveryHumansPotencyReceptor030304 developmental biologyMembrane potential0303 health sciencesBinding SitesChemistryReceptors GABA-A0104 chemical sciencesMolecular Docking SimulationProtein Subunits010404 medicinal & biomolecular chemistryHEK293 CellsDrug DesignMolecular MedicinePlate readerJournal of Medicinal Chemistry
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Inhibition of the Cysteine Protease Human Cathepsin L by Triazine Nitriles: Amide⋅⋅⋅Heteroarene π-Stacking Interactions and Chalcogen Bonding in the …

2016

We report an extensive "heteroarene scan" of triazine nitrile ligands of the cysteine protease human cathepsin L (hCatL) to investigate π-stacking on the peptide amide bond Gly67-Gly68 at the entrance of the S3 pocket. This heteroarene⋅⋅⋅peptide bond stacking was supported by a co-crystal structure of an imidazopyridine ligand with hCatL. Inhibitory constants (Ki ) are strongly influenced by the diverse nature of the heterocycles and specific interactions with the local environment of the S3 pocket. Binding affinities vary by three orders of magnitude. All heteroaromatic ligands feature enhanced binding by comparison with hydrocarbon analogues. Predicted energetic contributions from the ori…

ImidazopyridineNitrileStereochemistryCathepsin LPeptideMolecular Dynamics Simulation010402 general chemistryCrystallography X-RayLigands01 natural sciencesBiochemistrychemistry.chemical_compoundAmideDrug DiscoveryHydrolaseNitrilesPeptide bondHumansGeneral Pharmacology Toxicology and PharmaceuticsTriazinePharmacologychemistry.chemical_classificationBinding Sites010405 organic chemistryChemistryLigandTriazinesOrganic ChemistryAmides0104 chemical sciencesProtein Structure TertiaryMolecular MedicineChalcogensQuantum TheoryProtein BindingChemMedChem
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