Search results for "Dynamic"

showing 10 items of 12329 documents

Molecular mechanics models for the image charge, a comment on “including image charge effects in the molecular dynamics simulations of molecules on m…

2017

We re-investigate the image charge model of Iori and Corni (Iori and Corni, J. Comput. Chem. 2008, 29, 1656). We find that a simple symmetrization of their model allows to obtain quantitatively correct results for the electrostatic interaction of a water molecule with a metallic surface. This symmetrization reduces the magnitude of the electrostatic interaction to less than 10% of the total interaction energy. © 2017 Wiley Periodicals, Inc.

image chargewatermetal surface010402 general chemistryMethod of image charges01 natural sciencesMolecular physicsMolecular mechanics[ CHIM ] Chemical SciencesForce field (chemistry)MetalMolecular dynamicsTheoretical and Computational ChemistryQuantum mechanics0103 physical sciencesMolecule[CHIM]Chemical SciencesChemical Physics010304 chemical physicsChemistryforce fieldGeneral ChemistryInteraction energy0104 chemical sciencesComputational Mathematicsadsorptionvisual_artvisual_art.visual_art_mediumSymmetrizationPhysical Chemistry (incl. Structural)
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Coupling dynamic simulation and interactive multiobjective optimization for complex problems: An APROS-NIMBUS case study

2014

Dynamic process simulators for plant-wide process simulation and multiobjective optimization tools can be used by industries as a means to cut costs and enhance profitability. Specifically, dynamic process simulators are useful in the process plant design phase, as they provide several benefits such as savings in time and costs. On the other hand, multiobjective optimization tools are useful in obtaining the best possible process designs when multiple conflicting objectives are to be optimized simultaneously. Here we concentrate on interactive multiobjective optimization. When multiobjective optimization methods are used in process design, they need an access to dynamic process simulators, …

implementation challengesMathematical optimizationOptimization problemProcess (engineering)Computer scienceta111General Engineeringaugmented interactive multiobjective optimization algorithminteractive methodMulti-objective optimizationComputer Science ApplicationsEngineering optimizationSeparation processDynamic simulationSimulation-based optimizationIND-NIMBUSArtificial Intelligencedynamic process simulationApache ThriftPareto optimal solutionsProcess simulationsimulation based optimizationExpert Systems with Applications
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Optimal Heating of an Indoor Swimming Pool

2020

This work presents the derivation of a model for the heating process of the air of a glass dome, where an indoor swimming pool is located in the bottom of the dome. The problem can be reduced from a three dimensional to a two dimensional one. The main goal is the formulation of a proper optimization problem for computing the optimal heating of the air after a given time. For that, the model of the heating process as a partial differential equation is formulated as well as the optimization problem subject to the time-dependent partial differential equation. This yields the optimal heating of the air under the glass dome such that the desired temperature distribution is attained after a given…

implicit Euler methodWork (thermodynamics)Optimization problemfinite element methodlämmitysjärjestelmät010103 numerical & computational mathematics01 natural sciences010305 fluids & plasmasDome (geology)0103 physical sciencesprojected gradient method0101 mathematicsMathematicsosittaisdifferentiaaliyhtälötPartial differential equationheat equationNumerical analysisProcess (computing)Mechanicsmatemaattinen optimointiOptimal controlelementtimenetelmäsovellettu matematiikkaPDE-constrained optimizationnumeerinen analyysicontrol constraintsmatemaattiset mallitGradient method
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On the Modeling of Transcatheter Therapies for the Aortic and Mitral Valves: A Review

2022

Transcatheter aortic valve replacement (TAVR) has become a milestone for the management of aortic stenosis in a growing number of patients who are unfavorable candidates for surgery. With the new generation of transcatheter heart valves (THV), the feasibility of transcatheter mitral valve replacement (TMVR) for degenerated mitral bioprostheses and failed annuloplasty rings has been demonstrated. In this setting, computational simulations are modernizing the preoperative planning of transcatheter heart valve interventions by predicting the outcome of the bioprosthesis interaction with the human host in a patient-specific fashion. However, computational modeling needs to carry out increasingl…

in silico modeltranscatheter mitral valve replacementtranscatheter aortic valve replacementcomputational fluid dynamicsGeneral MedicineProsthesis
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Broad-band Spectral Evolution of Scorpius X-1 along its Color-Color Diagram

2007

We analyze a large collection of RXTE archive data from April 1997 to August 2003 of the bright X-ray source Scorpius X-1 in order to study the broadband spectral evolution of the source for different values of the inferred mass accretion rate by studying energy spectra from selected regions in the Z-track of its Color-Color Diagram. A two-component model, consisting of a soft thermal component interpreted as thermal emission from an accretion disk and a thermal Comptonization component, is unable to fit the whole 3--200 keV energy spectrum at low accretion rates. Strong residuals in the highest energy band of the spectrum require the addition of a third component that can be fitted with a …

individual (Scorpius X-1); stars : neutron; X-rays : binaries; X-rays : general; X-rays : stars [accretion accretion disks; stars]PhysicsAccretion (meteorology)Component (thermodynamics)Astrophysics::High Energy Astrophysical PhenomenaX-rays : starsDiagramAstrophysics (astro-ph)FOS: Physical sciencesstars : individual (Scorpius X-1)Astronomy and AstrophysicsColor–color diagramPlasmaAstrophysicsAstrophysicsaccretion accretion diskstars : neutronSpectral lineSpace and Planetary ScienceThermalX-rays : binarieElectronic band structureAstrophysics::Galaxy AstrophysicsX-rays : general
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Cultural industries: Product-market characteristics, management challenges and industry dynamics

2015

During the last decade, cultural industries have grown in economic importance, and research interest in them has increased. Despite prolific research, there is a lack of a comprehensive view on the subject. The purpose of the present paper is to offer a reconceptualization of cultural industries by tracing their boundaries, their features and the dynamics that follow from these features. This is achieved through a review of 314 cultural industries studies, whereby a classification system of three main and six sub-categories is constructed. On the basis of the review, a framework for future research is presented. Most importantly, future research should examine selection criteria and selecti…

industry dynamicscultural industriesmanagement challengesproduct-market characteristics
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Droplet digital PCR as a tool for investigating dynamics of cryptic symbionts

2021

Abstract Interactions among symbiotic organisms and their hosts are major drivers of ecological and evolutionary processes. Monitoring the infection patterns among natural populations and identifying factors affecting these interactions are critical for understanding symbiont–host relationships. However, many of these interactions remain understudied since the knowledge about the symbiont species is lacking, which hinders the development of appropriate tools. In this study, we developed a digital droplet PCR (ddPCR) assay based on apicomplexan COX1 gene to detect an undescribed agamococcidian symbiont. We show that the method gives precise and reproducible results and enables detecting cryp…

infection dynamicsanimal structuresevoluutiobiologiasymbioosiisäntälajitBiologycryptic symbiosisinfektiotdroplet digital PCRpopulaatiotloisetisäntäeläimetDigital polymerase chain reactionQH540-549.5Ecology Evolution Behavior and SystematicsResearch ArticlesNature and Landscape ConservationEcologyDynamics (mechanics)fungibiochemical phenomena metabolism and nutritionekosysteemit (ekologia)Evolutionary biologyapicomplexaInfection dynamicsResearch ArticleEcology and Evolution
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Du gommage de l’infinitif dans la traduction polonaise de l’infinitive de Compte rendu de Perception (ICP): entre grammaire style et representation d…

2021

The study subject are Polish translations of the French structure NP1 + voir + NP2 + infinitive; we reject cases where the NP1 is represented by the pronoun on, and concentrate on translations in which the infinitive is not rendered. The analysis is based on the corpus of texts embracing 58 pairs of examples, each of which contains a French sentence with the investigated construction and a Polish sentence with its equivalent. Our aim is to identify factors which make translators erase the French infinitive. The conducted analysis reveals that the avoided infinitives belong to two groups: appearance verbs and dynamic position verbs; the most frequent are surgir (‘appear suddenly’), arriver (…

infinitive clauseavoidancePolish translation strategyerasingstatic position verbsbilingual corpusappearance verbsdynamic position verbs(expression of) perceptionFrench verb voir (‘see’)Romanica Wratislaviensia
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Measuring the Rate of Information Exchange in Point-Process Data With Application to Cardiovascular Variability

2022

The amount of information exchanged per unit of time between two dynamic processes is an important concept for the analysis of complex systems. Theoretical formulations and data-efficient estimators have been recently introduced for this quantity, known as the mutual information rate (MIR), allowing its continuous-time computation for event-based data sets measured as realizations of coupled point processes. This work presents the implementation of MIR for point process applications in Network Physiology and cardiovascular variability, which typically feature short and noisy experimental time series. We assess the bias of MIR estimated for uncoupled point processes in the frame of surrogate…

information dynamics point processes mutual information rate heart rate variability cardiovascular time seriesmutual information rateSettore ING-INF/06 - Bioingegneria Elettronica E Informaticaheart rate variabilityinformation dynamicscardiovascular time seriespoint processespoint processFrontiers in Network Physiology
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Assessing Complexity in Physiological Systems through Biomedical Signals Analysis

2020

The idea that most physiological systems are complex has become increasingly popular in recent decades [...]

information flowComputer sciencebrainMultivariate time series analysisGeneral Physics and Astronomylcsh:AstrophysicsData sciencelcsh:QC1-999Fetal heart rateFuzzy entropyEditorialmultifractalitymultiscaleSettore ING-INF/06 - Bioingegneria Elettronica E Informaticalcsh:QB460-466Autonomic nervous functionBrain; Cardiovascular system; Entropy; Information flow; Multifractality; Multiscalecardiovascular systemHypobaric hypoxialcsh:QInformation dynamicsentropylcsh:Sciencelcsh:PhysicsEntropy
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