Search results for "dynamic simulation"

showing 10 items of 42 documents

Encapsulation of xenon by bridged resorcinarene cages with high 129Xe NMR chemical shift and efficient exchange dynamics

2023

Functionalized cages encapsulating xenon atoms enable highly sensitive, background-free molecular imaging through a technique known as HyperCEST 129Xe MRI. Here, we introduce a class of potential biosensor cage structures based on two resorcinarene macrocycles bridged either by aliphatic carbon chains or piperazines. First-principles-based modeling predicts a high chemical shift (about 345 ppm) outside the typical experimental observation window for 129Xe encapsulated by the aliphatically bridged cage and two 129Xe resonances for the piperazine-bridged cages corresponding to single and double loading. Based on the computational predictions as well as 129Xe chemical exchange saturation trans…

General EngineeringGeneral Physics and AstronomyksenonGeneral Chemistrybiosensorslaskennallinen kemiabiosensoritaliphatically bridged resorcinarenesmolecular dynamic simulationsGeneral Energy129Xe HyperCEST MRIsupramolekulaarinen kemiapiperazine-bridged resorcinarenesGeneral Materials Sciencemolekyylidynamiikka129Xe NMRsupermoleculesfirst principal modelingfunctionalized cages
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A Comparison between RMS and EMT Grid-Forming Implementations in MATLAB/Simscape for Smart Grids Dynamics

2022

The article presents a comparison between phasor RMS and EMT models for grid-forming converters. The specific aspects related to the implementation in Simscape Electrical of MATLAB/Simulink are discussed for both RMS and EMT time-domains. The comparison between the different implementations is performed with the simulation of two widely studied grid-forming schemes, the virtual synchronous machine and the power-synchronization control. The simulation-based comparison examines transient phenomena with different characteristics and time scales, including frequency transients, phase jumps and short-circuit events. Specific indications regarding limitations and suitability of grid-forming model…

Settore ING-IND/33 - Sistemi Elettrici Per L'Energiafrequency controlgrid-formingpower system dynamicsmicrogrid controlsmartgridsDynamic simulation
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Integrating miniMin-HSP agents in a dynamic simulation framework

2004

In this paper, we describe the framework created for implementing AI-based animations for artificial actors in the context of IVE (Intelligent Virtual Environments). The minMin-HSP (Heuristic Search Planner) planner presented in [12] has been updated to deal with 3D dynamic simulation environments, using the sensory/actuator system fully implemented in UnrealTM and presented in [10]. Here, we show how we have integrated these systems to handle the necessary balance between the reactive and deliberative skills for 3D Intelligent Virtual Agents (3DIVAs). We have carried out experiments in a multi-agent 3D blocks world, where 3DIVAs will have to interleave sensing, planning and execution to be…

Computer sciencebusiness.industryBlocks worldContext (language use)computer.software_genreDynamic simulationIntelligent agentHuman–computer interactionArtificial intelligenceUser interfaceAgent architecturebusinesscomputerComputer animation
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Water desalination by capacitive electrodialysis: Experiments and modelling

2020

Abstract Electrodialysis-related technologies keep spreading in multiple fields, among which water desalination still plays a major role. A new technology that has not yet been thoroughly investigated is capacitive electrodialysis (CED), which couples the standard ED with capacitive electrodes. CED has a number of advantages such as removal of toxic products and system simplification. Little mention is made of this technology in the literature and, to the best of our knowledge, no modelling works have ever been presented. In this work, the CED process has been studied through experiments and modelling. A CED model is presented for the first time. With a simple calibration based on macroscop…

Settore ING-IND/26 - Teoria Dello Sviluppo Dei Processi ChimiciWork (thermodynamics)Computer scienceGeneral Chemical EngineeringCapacitive sensing02 engineering and technologyCapacitive electrodes020401 chemical engineeringCalibrationGeneral Materials ScienceElectromembrane proce0204 chemical engineeringProcess engineeringWater desalinationIon exchange membraneWater Science and TechnologyDesalinationbusiness.industryMechanical EngineeringProcess (computing)Experimental dataGeneral ChemistryCarbon electrodeElectrodialysis021001 nanoscience & nanotechnology6. Clean water0210 nano-technologybusinessDynamic simulationDesalination
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Active magnetic bearing design study

2012

The purpose of this paper is to propose a useful method to implement active magnetic bearings (AMBs) on an existing rotating shaft which rotates on conventional bearings. This is feasible if AMBs can produce the same reaction loads of conventional ones and if the size of vane is large enough to host an AMB. As this substitution could offer some difficulties due to the different size between magnetic bearings and conventional ones, a set of equations are performed to show that a variation of some parameters can solve this problem. The journal ratio is the geometrical parameter introduced to develop the present analysis. The variation of journal ratio does not produce a variation of the pole…

Surface (mathematics)Engineeringbusiness.industryRotor (electric)Active magnetic bearing journal ratio magnetic field rotorMechanical EngineeringNumerical analysisAerospace EngineeringMagnetic bearingMagnetic fieldlaw.inventionDynamic simulationSet (abstract data type)Settore ING-IND/14 - Progettazione Meccanica E Costruzione Di MacchineMechanics of MaterialsControl theorylawAutomotive EngineeringGeneral Materials SciencebusinessHost (network)Journal of Vibration and Control
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Simulator for a Natural Gas Storage Realised in Depleted Deposit

2014

The present paper presents the implementation of a numerical model for a natural storage transformed into a deposit which takes into consideration the geometry of the storage, the properties of the rocks and in which the movements of the gases can be described. The model is two-dimensional nonstationary and allows the dynamic simulation of the processes of injection and extraction. The location of the wells and their flows can be thus studied and optimized to maximize the amount of the stored gases. The presented model allows the quick finding of solutions for a whole cycle of storage in a short time so that it could be used successfully in the operation process.

Dynamic simulationEngineeringNatural gas storageComputer simulationbusiness.industryProcess (computing)Extraction (military)General MedicinebusinessSimulationApplied Mechanics and Materials
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The new building regulation plan schema in the town of Castelbuono (Sicily): the experience of FACTOR20- LIFE+ project

2014

The LIFE+ Programme is the European Union’s funding instrument for the environment. The general objective of LIFE+ is to contribute to the implementation, updating and development of EU environmental policy and legislation by co-financing pilot or demonstration projects with European added value. In the framework of LIFE+, the project “Forwarding demonstrative ACTions On a Regional and local scale (FACTOR20) to reach EU targets of the European Plan 20/20/20” was founded by European Commission. FACTOR20 is aimed to define a set of tools to support the planning of regional and national policies for the reduction of greenhouse gas emissions and for the reduction of energy consumption. The know…

Settore ING-IND/11 - Fisica Tecnica AmbientaleEnergy efficiency building regulation Kyoto protocol FACTOR20 retrofit actions dynamic simulation.
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Phase transitions in polymeric systems: A challenge for Monte Carlo simulation

1995

Polymers are more difficult to simulate than small molecule systems, due to the large size of random polymer coils (and their slow relaxation, that is observed when dynamic simulation algorithms are used). However, variation of the chain length N of a flexible polymer chain provides a very useful additional control parameter, allowing stringent tests of theories, and new physical phenomena may emerge. As an example of these concepts, critical phenomena in polymer mixtures are described. It is shown that unmixing of symmetrical mixtures ( N A = N B = N ) is described by an equation for the critical temperature T c ( N ) = aN + b rather than T c ∝ N as claimed by some theories. While for fini…

chemistry.chemical_classificationNuclear and High Energy PhysicsPhase transitionCritical phenomenaMonte Carlo methodCrossoverPolymerAtomic and Molecular Physics and OpticsDynamic simulationchemistryLattice (order)Statistical physicsScalingMathematicsNuclear Physics B - Proceedings Supplements
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Carbon nanotube – Protamine hybrid: Evaluation of DNA cell penetration

2016

International audience; Carbon nanotubes (CNTs) represent a class of nanomaterials with important potential for biomedical and biotechnological applications. CNT based vectorization is an emerging approach to the transport of nucleic acid through cell membrane but limited by detachment of DNA and degradation process. To increase DNA internalization, it was proved that cationic functionalized CNT was essential. In such a way, protamine efficiently used in several transfection processes is a cationic protein which was never associated to CNT.We propose here a novel nanovector based on single-walled carbon nanotubes (SWCNT) functionalized by protamine. Our results based on qPCR methods clearly…

Materials sciencemedia_common.quotation_subjectmammalian-cellsCarbon nanotubesnoncovalent sidewall-functionalizationProtamineNanotechnology02 engineering and technologyCarbon nanotubetransportersphysicochemical propertiesin-vitro010402 general chemistryEndocytosis01 natural sciences[ CHIM ] Chemical Scienceslaw.inventionnonviral gene deliveryCell membranechemistry.chemical_compoundlawCellular internalizationmedicineendocytosis[CHIM]Chemical SciencesGeneral Materials ScienceInternalizationFunctionalizationComputingMilieux_MISCELLANEOUSmedia_commonbiologyMolecular dynamic simulationGeneral ChemistryTransfection[CHIM.MATE]Chemical Sciences/Material chemistry021001 nanoscience & nanotechnologyProtamineproteins0104 chemical sciencesdrug-deliverymedicine.anatomical_structureplasmid dnachemistryBiophysicsNucleic acidbiology.protein0210 nano-technologyNanovectorizationDNA
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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…

Natural gas storagebusiness.industryFlow (psychology)computer.software_genreStorage modelAssociated petroleum gasSimulation softwareDynamic simulationlcsh:TA1-2040Extraction (military)Current (fluid)Process engineeringbusinesslcsh:Engineering (General). Civil engineering (General)computerMATEC Web of Conferences
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