Search results for "SIMULATION"

showing 10 items of 5095 documents

Hydration dependence of myoglobin dynamics studied with elastic neutron scattering, differential scanning calorimetry and broadband dielectric spectr…

2014

In this work we present a thorough investigation of the hydration dependence of myoglobin dynamics. The study is performed on D2O-hydrated protein powders in the hydration range 0<h<0.5 (h≡gr[D2O]/gr[protein]) and in the temperature range 20-300K. The protein equilibrium fluctuations are investigated with Elastic Neutron Scattering using the spectrometer IN13 at ILL (Grenoble), while the relaxations of the protein + hydration water system are investigated with Broadband Dielectric Spectroscopy; finally, Differential Scanning Calorimetry is used to obtain a thermodynamic description of the system. The effect of increasing hydration is to speed up the relaxations of the myoglobin + hydration …

inorganic chemicalsWork (thermodynamics)BiophysicsNeutron scatteringMolecular Dynamics SimulationBiochemistryPhase Transitionchemistry.chemical_compoundDifferential scanning calorimetryAnimalsHorsesRange (particle radiation)Calorimetry Differential ScanningMyoglobinProtein dynamicsOrganic ChemistryDynamics (mechanics)WaterSettore FIS/07 - Fisica Applicata(Beni Culturali Ambientali Biol.e Medicin)Neutron DiffractionMyoglobinchemistryChemical physicsDielectric SpectroscopyPhysical chemistryGlass transition•Protein dynamics •Equilibrium fluctuations •Protein/hydration water relaxations •Glass transition •Hydration water liquid-liquid transitionBiophysical chemistry
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Montessori metodē balstītas praktiskās dzīves simulācijas vidusskolēnu integrētu valodas prasmju pilnveidei 10. Klases angļu valodas tiešsaistes stun…

2022

10. klases skolēni Latvijā cenšas sasniegt arvien augstākus un augstākus mācību sasniegumus un angļu valodas līmeni. Tomēr skolēniem ir skaidra vēlme attīstīt arī praktiskās dzīves prasmes angļu valodā. Diplomdarba mērķis ir izpētīt Montesori metodē balstītas praktiskās dzīves simulācijas vidusskolēnu integrētu valodas prasmju pilnveidei 10. klases angļu valodas tiešsaistes stundās. Gadījuma pētījuma ietvaros tika pētīta Montesori metode. Tika izstrādāts stundu kopums praktiskās dzīves simulācijas realizēšanai. Simulācijā studijām un darbam ārzemēs tika iesaistīti 21 10. klases skolēni. Skolēnu vajadzību izpētes anketa, divu skolotāju pēc stundu refleksiju piezīmes, vienas skolotājas interv…

integrated language skillspractical learning methodMontessoriPedagoģijasimulationEnglish as a Foreign Language
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ON SOME GENERALIZATION OF SMOOTHING PROBLEMS

2015

The paper deals with the generalized smoothing problem in abstract Hilbert spaces. This generalized problem involves particular cases such as the interpolating problem, the smoothing problem with weights, the smoothing problem with obstacles, the problem on splines in convex sets and others. The theorem on the existence and characterization of a solution of the generalized problem is proved. It is shown how the theorem gives already known theorems in special cases as well as some new results.

interpolating splinesBox splineGeneralizationsmoothing splinesRegular polygonHilbert spaceCharacterization (mathematics)CombinatoricsSmoothing splinesymbols.namesakeModeling and Simulationmixed splinesQA1-939symbolsApplied mathematicssplines in convex setsMathematicsAnalysisSmoothingComputingMethodologies_COMPUTERGRAPHICSMathematicsMathematical Modelling and Analysis
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Pressure-Induced Deformation of Pillar-Type Profiled Membranes and Its Effects on Flow and Mass Transfer

2019

In electro-membrane processes, a pressure difference may arise between solutions flowing in alternate channels. This transmembrane pressure (TMP) causes a deformation of the membranes and of the fluid compartments. This, in turn, affects pressure losses and mass transfer rates with respect to undeformed conditions and may result in uneven flow rate and mass flux distributions. These phenomena were analyzed here for round pillar-type profiled membranes by integrated mechanical and fluid dynamics simulations. The analysis involved three steps: (1) A conservatively large value of TMP was imposed, and mechanical simulations were performed to identify the geometry with the minimum pillar density…

ion exchange membraneMass fluxSettore ING-IND/26 - Teoria Dello Sviluppo Dei Processi ChimiciMaterials scienceGeneral Computer Sciencereverse electrodialysisFlow (psychology)fluid-structure interaction02 engineering and technologyDeformation (meteorology)Computational fluid dynamicsElectrodialysilcsh:QA75.5-76.95Theoretical Computer Sciencestructural mechanics020401 chemical engineeringMass transferReverse electrodialysimass transferFluid dynamicselectrodialysis0204 chemical engineeringSettore ING-IND/19 - Impianti Nuclearipressure dropprofiled membranebusiness.industryApplied MathematicsMechanics021001 nanoscience & nanotechnologyVolumetric flow rateMembraneModeling and Simulationlcsh:Electronic computers. Computer scienceSettore ICAR/08 - Scienza Delle CostruzioniCFD0210 nano-technologybusinessComputation
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A hierarchical model for novel schemes of electrodialysis desalination

2019

Abstract A new hierarchical model for the electrodialysis (ED) process is presented. The model has been implemented into gPROMs Modelbuilder (PSE), allowing the development of a distributed-parameters simulation tool that combines the effectiveness of a semi-empirical modelling approach to the flexibility of a layered arrangement of modelling scales. Thanks to its structure, the tool makes possible the simulation of many different and complex layouts, requiring only membrane properties as input parameters (e.g. membrane resistance or salt and water permeability). The model has been validated against original experimental data obtained from a lab scale ED test rig. Simulation results concern…

ion exchange membraneSettore ING-IND/26 - Teoria Dello Sviluppo Dei Processi ChimiciComputer scienceProcess (engineering)General Chemical EngineeringLab scaleTest rig02 engineering and technologyDesalinationHierarchical database model020401 chemical engineeringGeneral Materials ScienceMulti-scale model0204 chemical engineeringProcess engineeringWater Science and TechnologyFlexibility (engineering)business.industryelectromembrane process.Mechanical EngineeringExperimental dataGeneral ChemistryElectrodialysissimulation021001 nanoscience & nanotechnology6. Clean water0210 nano-technologybusinessmultistageDesalination
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The Photocycle of Bacteriophytochrome Is Initiated by Counterclockwise Chromophore Isomerization.

2022

Photoactivation of bacteriophytochrome involves a cis–trans photoisomerization of a biliverdin chromophore, but neither the precise sequence of events nor the direction of the isomerization is known. Here, we used nonadiabatic molecular dynamics simulations on the photosensory protein dimer to resolve the isomerization mechanism in atomic detail. In our simulations the photoisomerization of the D ring occurs in the counterclockwise direction. On a subpicosecond time scale, the photoexcited chromophore adopts a short-lived intermediate with a highly twisted configuration stabilized by an extended hydrogen-bonding network. Within tens of picoseconds, these hydrogen bonds break, allowing the c…

isomeriaBiliverdinephotoisomerizationHydrogen BondingMolecular Dynamics Simulationlaskennallinen kemiacomputational chemistryisomerizationBacterial ProteinsIsomerismchromophoresGeneral Materials SciencevalokemiaproteiinitPhysical and Theoretical ChemistryabsorptionThe journal of physical chemistry letters
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ASPECTS REGARDING THE OPTIMIZATION OF THE QUALITY OF MANAGERIAL DECISIONS - SOLVING AN OPTIMIZATION PROBLEM IN THE SENSE OF SUSTAINABILITY WITH WINQSB

2012

In this paper we present an optimization problem solving, problem that is mathematically shaped as a linear programming problem. This is made with the purpose of finding an optimal solution which is also a sustainable one. In the present and future society, it is clear that nothing can be done honestly, but only in the sense of a professional and sustainable thinking (Konrad, C., 2011, pp.202-217, Petrescu, I., 2006, p.1). To think sustainable can also mean “to be calculated”, in popular language “to choose wisely”, all for achieving the proposed project, being careful to using non-renewable resources, to pollution, to protection for human resource, etc. Of course that the logical and preci…

jel:C53optimal problem linear programming sustainability modelling simulationReview of General Management
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APPLYING PERT AND CRITICAL PATH METHOD IN HUMAN RESOURCE TRAINING

2011

The subject of the article is referring to the modelling and simulating of the formation of human resources by applying the PERT/CPM (Program Evaluation and Review Technique/Critical Path Method) and the taking into consideration of some risks associated to this activity. The aim of the article is to offer practical support to the management of organizations in order to make a formation program of human resources, which implies activities of precedence and interrelated, critical paths, the distribution of time resources and necessary costs for the fulfilment of the organizational objectives.

jel:C63PERT chart critical path risk human resources modelling simulation.jel:C54Review of General Management
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Laboratory formation of a scaled protostellar jet by coaligned poloidal magnetic field

2014

International audience; Although bipolar jets are seen emerging from a wide variety of astrophysical systems, the issue of their formation and morphology beyond their launching is still under study. Our scaled laboratory experiments, representative of young stellar object outflows, reveal that stable and narrow collimation of the entire flow can result from the presence of a poloidal magnetic field whose strength is consistent with observations. The laboratory plasma becomes focused with an interior cavity. This gives rise to a standing conical shock from which the jet emerges. Following simulations of the process at the full astrophysical scale, we conclude that it can also explain recentl…

jetsPhysicsJet (fluid)MultidisciplinaryShock (fluid dynamics)Young stellar objectAstrophysics::High Energy Astrophysical PhenomenaFlow (psychology)PlasmaConical surfaceAstrophysics01 natural sciencesSIMULATIONS010305 fluids & plasmasMagnetic fieldCOLLIMATION[PHYS.COND.CM-S]Physics [physics]/Condensed Matter [cond-mat]/Superconductivity [cond-mat.supr-con]DISCOVERY0103 physical sciencesDG-TAURI010303 astronomy & astrophysicsACCRETION DISCSAstrophysics::Galaxy AstrophysicsDRIVEN JETS
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Approximation of pre-twisted Achilles sub-tendons with continuum beam elements

2022

Achilles sub-tendons are materially and geometrically challenging structures that can nearly undergo around 15% elongation from their pre-twisted initial states during physical activities. Sub-tendons' cross-sectional shapes are subject-specific, varying from simple to complicated. Therefore, the Achilles sub-tendons are often described by three-dimensional elements that lead to a remarkable number of degrees of freedom. On the other hand, the continuum-based beam elements in the framework of the absolute nodal coordinate formulation have already been shown to be a reliable and efficient replacement for the three-dimensional continuum elements in some special problems. So far, that element …

jänteetlarge strainsnonlinear elasticityApplied MathematicsModeling and Simulationachilles tendonarbitrary cross-sectionkantajännebiomekaniikkaapproksimointimatemaattiset mallitabsolute nodal coordinatekimmoisuus
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