Search results for " Models"

showing 10 items of 4240 documents

Free Energy, Enthalpy and Entropy from Implicit Solvent End-Point Simulations

2018

Free energy is the key quantity to describe the thermodynamics of biological systems. In this perspective we consider the calculation of free energy, enthalpy and entropy from end-point molecular dynamics simulations. Since the enthalpy may be calculated as the ensemble average over equilibrated simulation snapshots the difficulties related to free energy calculation are ultimately related to the calculation of the entropy of the system and in particular of the solvent entropy. In the last two decades implicit solvent models have been used to circumvent the problem and to take into account solvent entropy implicitly in the solvation terms. More recently outstanding advancement in both impli…

Energy estimationEnthalpyContinuum solvent Enthalpy Entropy Free energy Implicit solvent MM/GBSA Molecular dynamics simulationscontinuum solvent010402 general chemistry01 natural sciencesBiochemistry Genetics and Molecular Biology (miscellaneous)BiochemistryMolecular dynamicsenthalpy0103 physical sciencesMolecular BiosciencesStatistical physicsPhysics::Chemical PhysicsMolecular Biologylcsh:QH301-705.5PhysicsMM/GBSAQuantitative Biology::BiomoleculesEnd point010304 chemical physicsEnsemble averageSolvationimplicit solventmolecular dynamics simulationsfree energy0104 chemical sciencesSolventlcsh:Biology (General)Solvent modelsPerspectiveentropyFrontiers in Molecular Biosciences
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Hydraulic Models and Finite Elements for Monitoring of an Earth Dam, by Using GNSS Techniques

2016

This work gives a comparison between different mathematicalmodels for the evaluation of the movements of an earthendam situated between Bivona and Alessandria della Rocca, inthe province of Agrigento (AG), Italy. The models selected areof a hydraulic nature, already tested on concrete dams, andfinite elements models which, on the contrary, exploit geotechnicalparameters. The results obtained from the comparisonof the displacement planimetric components and the relativetime series of data over a period of two years appear to befully satisfactory, in fact using both models of a hydraulic andgeotechnical nature, we reach residues of just mm. To supportthis work, a monitoring procedure using GN…

Engineering010504 meteorology & atmospheric sciencesSeries (mathematics)business.industrySettore ICAR/02 - Costruzioni Idrauliche E Marittime E Idrologia0211 other engineering and technologies02 engineering and technologyGeotechnical Engineering and Engineering Geology01 natural sciencesCivil engineeringFinite element methodDisplacement (vector)GNSS earth dam monitoring hydraulic models FEMGNSS applicationsConvergence (routing)businessSettore ICAR/06 - Topografia E Cartografia021101 geological & geomatics engineering0105 earth and related environmental sciencesCivil and Structural EngineeringMonitoring procedurePeriodica Polytechnica Civil Engineering
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Automatic research of the capitalization rate for the residential automated valuation: an experimental study in Cosenza (Italy).

2017

When a market oriented approach is not applicable because of the lack of comparable sales data (Ciuna et al. 2014a), International Valuation Standards suggest the use of the Income Approach, which has the task of simulating the market through an economic and financial scheme. The central question of this approach is due to the quantification of the capitalization rate, whereas it is generally extracted in a market segment different from that of the subject. This paper intends to propose an automated valuation model of the capitalization rate based on a real estate database built through a computerized geocoding automatic procedure, starting from the application of statistical models of mult…

Engineering050208 financebusiness.industry05 social sciences0211 other engineering and technologies021107 urban & regional planningReal estateRegression analysisStatistical model02 engineering and technologyCapitalization rateMarket segmentation0502 economics and businessGeocodingEconometricsSettore ICAR/22 - EstimoOperations managementAutomated valuation models Income approach GISbusinessIncome approachValuation (finance)
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Seeking the Important Nodes of Complex Networks in Product R&D Team Based on Fuzzy AHP and TOPSIS

2013

Published version of article in the journal: Mathematical Problems in Engineering. Alo available from the publisher at: http://dx.doi.org/10.1155/2013/327592 Open Access How to seek the important nodes of complex networks in product research and development (R&D) team is particularly important for companies engaged in creativity and innovation. The previous literature mainly uses several single indicators to assess the node importance; this paper proposes a multiple attribute decision making model to tentatively solve these problems. Firstly, choose eight indicators as the evaluation criteria, four from centralization of complex networks: degree centrality, betweenness centrality, closeness…

EngineeringArticle SubjectHierarchy (mathematics)business.industrylcsh:MathematicsGeneral MathematicsGeneral EngineeringAnalytic hierarchy processTOPSISComplex networklcsh:QA1-939VDP::Matematikk og Naturvitenskap: 400::Informasjons- og kommunikasjonsvitenskap: 420Constraint (information theory)Betweenness centralitylcsh:TA1-2040VDP::Matematikk og Naturvitenskap: 400::Matematikk: 410::Anvendt matematikk: 413Artificial intelligencelcsh:Engineering (General). Civil engineering (General)businessCentralityDecision-making modelsMathematical Problems in Engineering
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H∞ fuzzy control of DC-DC converters with input constraint

2012

Published version of an article in the journal: Mathematical Problems in Engineering. Also available from the publisher at: http://dx.doi.org/10.1155/2012/973082 Open access This paper proposes a method for designing H∞ fuzzy control of DC-DC converters under actuator saturation. Because linear control design methods do not take into account the nonlinearity of the system, a T-S fuzzy model and a controller design approach is used. The designed control not only handles the external disturbance but also the saturation of duty cycle. The input constraint is first transformed into a symmetric saturation which is represented by a polytopic model. Stabilization conditions for the H∞ state feedba…

EngineeringArticle Subjectinput constraintsstate feedback systemGeneral Mathematicssimulation examplePlantControl theoryactuator saturationspolytopic modelsexternal disturbancesbusiness.industrylcsh:MathematicsGeneral EngineeringFuzzy control systemConvertersLyapunov approachlcsh:QA1-939VDP::Mathematics and natural science: 400::Mathematics: 410Constraint (information theory)Nonlinear systemDuty cyclelcsh:TA1-2040T-S fuzzy modelscontroller designsState (computer science)businessSaturation (chemistry)lcsh:Engineering (General). Civil engineering (General)linear control design
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Review of push-out and shear response of hybrid steel-trussed concrete beams

2018

The hybrid steel trussed concrete beams examined in the present study are comprised of two principal components, i.e., a steel joist with inclined rebars, realized in industry, which is welded to a smooth steel plate and then embedded within the concrete cast in situ. The paper presents first the state of the art on laboratory tests and analytical modeling of the steel-to-concrete stress transfer mechanism investigated by push-out tests. Next, the most relevant scientific contributions currently available in the technical literature regarding experimental investigation on actual shear behavior are summarized and discussed. Lastly codes and analytical models are reviewed.

EngineeringConcrete beamsArchitecture2300 Environmental Science (all)0211 other engineering and technologies020101 civil engineering02 engineering and technologyWeldingAnalytical modellcsh:TH1-97450201 civil engineeringlaw.inventionPush outlawPush out test021105 building & constructionArchitectureTransfer mechanismCivil and Structural EngineeringEnvironmental Science (all)2300business.industryanalytical modelsStructural engineeringBuilding and ConstructionJoistTechnical literaturePush-out testShear (geology)Analytical models; Precast trussed beam; Push-out test; Steel concrete composite beam; Architecture; 2300; Environmental Science (all); Civil and Structural Engineering; Building and ConstructionSteel concrete composite beamPrecast trussed beambusinesslcsh:Building construction
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A Simple Multibody Dynamic Model of Cross-Country Ski-Skating

2013

The purpose of this paper is to present the development of a simple multibody dynamic model matching the observed movements of the center of mass of a skier performing the skating technique in cross-country skiing. The formulation of the equation of motion was made using the Euler–Lagrange equations applied to a multibody tree-type system in three dimensions. The description of the lower limb of the skier and the ski was completed by employing three bodies, one representing the ski, and two representing the natural movements of the leg of the skier. This simple model is able to show an approximation of the movement of the center of mass of the skier and its velocity behavior allowing to stu…

EngineeringCross countryDynamic modelsControl theorybusiness.industrySimple (abstract algebra)Equations of motionCenter of massModel matchingbusinessSimulationLower limbVolume 7A: 9th International Conference on Multibody Systems, Nonlinear Dynamics, and Control
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A Simple Mechanical Model for Simulating Cross-Country Skiing Propulsive Force

2015

In this paper, a three-dimensional multibody dynamic model of a cross-country skier is developed and presented where a single propulsion phase is modeled to obtain the kinetic parameters involved in the movement. A professional Olympic-level skier performed the skating technique without poles in a ski tunnel under controlled conditions and on an incline plane. Then, with the use of a force acquisition system attached to the ski bindings and a motion capture system set on site, the leg resultant forces and the movement of specific points of the skier’s lower body were acquired. The data obtained from the motion capture system was used as the prescribed kinematic input data in the multibody m…

EngineeringCross countryDynamic modelsbusiness.industrySimple (abstract algebra)Mechanical engineeringStructural engineeringKinematicsPropulsionbusinessVolume 6: 11th International Conference on Multibody Systems, Nonlinear Dynamics, and Control
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Influence of the channel design on the heat and mass exchange of induction channel furnace

2011

PurposeThe purpose of this paper is to present in‐depth numerical modelling of heat and mass exchange in industrial induction channel furnace (ICF).Design/methodology/approachThe turbulent heat and mass exchange in the melt is calculated using a three‐dimensional (3D) electromagnetic model and a 3D transient large eddy simulation method. The simulation model has been verified by flow velocity and temperature measurements, which were carried out using an industrial sized channel inductor operating with Wood's metal as a low temperature model melt.FindingsThe ICF is well‐established for melting, holding and casting in the metallurgical industry. But there are still open questions regarding th…

EngineeringElectromagnetic modelsLarge Eddy simulation methodsChannel geometryHeat and mass transferDewey Decimal Classification::600 | Technik::620 | Ingenieurwissenschaften und MaschinenbauMechanical engineeringInductorTemperature measurementModellingMetallurgical industryChannel designExperimentWood's metalMass transferLow temperaturesIndustryMass transferWood's metalElectrical and Electronic Engineeringddc:510Low frequency oscillationsMass exchangeTemperature measurementbusiness.industryApplied MathematicsThree dimensionalFurnaceMechanicsDesign/methodology/approachDewey Decimal Classification::500 | Naturwissenschaften::510 | MathematikComputer Science ApplicationsComputational Theory and MathematicsFlow velocityThree-dimensional (3D)Casting (metalworking)Numerical modellingMetallurgySimulation modelddc:620businessSimulationCommunication channelLarge eddy simulationNumerical analysis
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A PC-based wattmeter for high accuracy power measurements

2010

This paper proposes the use of a commercial data acquisition board (DAQ) connected to a common personal computer for high accuracy power measurements. In the paper the set up of the PC-based wattmeter is described and an experimental evaluation of its metrological performances is made by means of the comparison with a simultaneous coherent digital sampling wattmeter realized with two high-precision DMMs Hewlett Packard Model 3458 A. In both cases the power source is a Fluke 6100A/E electrical power standard. © 2010 IEEE.

EngineeringExperimental evaluationHigh-precisionElectric power measurementlaw.inventionPC-basedPower sourcesSet (abstract data type)Data acquisitionSampling (signal processing)lawElectronic engineeringPower measurementMeasurement theoryHewlett Packard modelsbusiness.industryData acquisition boardDigital samplingElectrical engineeringMetrological performanceWattmeterElectrical powerelectric power measurement digital sampling wattmeters data acquisition board pc-based instrumentPower (physics)MetrologyPersonal computersElectrical power measurementsPersonal computerElectric powerbusinessInstrumentsSettore ING-INF/07 - Misure Elettriche E ElettronicheWattmetersElectric power supplies to apparatus
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