Search results for " Simulation"

showing 10 items of 4034 documents

Conformations, Transverse Fluctuations and Crossover Dynamics of a Semi-Flexible Chain in Two Dimensions

2014

We present a unified scaling description for the dynamics of monomers of a semiflexible chain under good solvent condition in the free draining limit. We consider both the cases where the contour length $L$ is comparable to the persistence length $\ell_p$ and the case $L\gg \ell_p$. Our theory captures the early time monomer dynamics of a stiff chain characterized by $t^{3/4}$ dependence for the mean square displacement(MSD) of the monomers, but predicts a first crossover to the Rouse regime of $t^{2\nu/{1+2\nu}}$ for $\tau_1 \sim \ell_p^3$, and a second crossover to the purely diffusive dynamics for the entire chain at $\tau_2 \sim L^{5/2}$. We confirm the predictions of this scaling descr…

PolymersCrossoverMolecular ConformationGeneral Physics and AstronomyFOS: Physical sciencesMolecular Dynamics SimulationCondensed Matter - Soft Condensed MatterChain (algebraic topology)Statistical physicsPhysics - Biological PhysicsPhysical and Theoretical ChemistryScalingBrownian motionPhysicsPersistence lengthQuantitative Biology::BiomoleculesMathematics::Functional AnalysisModels TheoreticalSolutionsCondensed Matter::Soft Condensed MatterMean squared displacementLennard-Jones potentialBiological Physics (physics.bio-ph)SolventsBrownian dynamicsSoft Condensed Matter (cond-mat.soft)
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A Monte Carlo Study of Knots in Long Double-Stranded DNA Chains.

2016

We determine knotting probabilities and typical sizes of knots in double-stranded DNA for chains of up to half a million base pairs with computer simulations of a coarse-grained bead-stick model: Single trefoil knots and composite knots which include at least one trefoil as a prime factor are shown to be common in DNA chains exceeding 250,000 base pairs, assuming physiologically relevant salt conditions. The analysis is motivated by the emergence of DNA nanopore sequencing technology, as knots are a potential cause of erroneous nucleotide reads in nanopore sequencing devices and may severely limit read lengths in the foreseeable future. Even though our coarse-grained model is only based on …

PolymersMaterials by StructureMolecular biologyMaterials ScienceElectrophoretic techniquesDNA electrophoresisNucleotide SequencingMolecular Dynamics SimulationBiochemistryNanoporesSequencing techniquesMathematical and Statistical Techniquesstomatognathic systemGeneticsBiochemical SimulationsNanotechnologyDNA sequencingMaterials by AttributeNanomaterialsQuantitative Biology::BiomoleculesBiology and life sciencesMathematical Modelsfood and beveragesComputational BiologyDNAPolymer ChemistryMathematics::Geometric TopologyResearch and analysis methodsNucleic acidsChemistrysurgical procedures operativeMolecular biology techniquesMacromoleculesRandom WalkPhysical SciencesNucleic Acid ConformationEngineering and TechnologyMonte Carlo MethodResearch ArticlePLoS computational biology
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A Comparison between Three Meta-Modeling Optimization Approaches to Design a Tube Hydroforming Process

2012

Computer aided procedures to design and optimize forming processes have become crucial research topics as the industrial interest in cost and time reduction has been increasing. A standalone numerical simulation approach could make the design too time consuming while meta-modeling techniques enables faster approximation of the investigated phenomena, reducing the simulation time. Many researchers are, nowadays, facing such research challenge by using various approaches. Response surface method (RSM) is probably the most known one, since its effectiveness was demonstrated in the past years. The effectiveness of RSM depends both on the definition of the Design of Experiments (DoE) and the acc…

Polynomial regressionEngineeringHydroformingMathematical optimizationComputer simulationbusiness.industryMechanical EngineeringDesign of experimentsReduction (complexity)Function approximationMechanics of MaterialsKrigingGeneral Materials ScienceMoving least squaresbusinessKey Engineering Materials
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A new constructive method using the theory of invariants to obtain material behavior laws

2006

International audience; The aim of this paper is to present a constructive method to derive mechanical behavior laws using the Theory of Invariants and Continuum Thermodynamics. More precisely, we want to construct, in a general way, the state or dissipation potential in a polynomial form given a set of variables V and the material symmetry group S. For this purpose, we show how to obtain a set of generators for the S-invariant polynomials of V. Then, using the Grœbner basis concept, we write all the decompositions of a polynomial of a given degree.

PolynomialAnisotropic material[ PHYS.COND.CM-MS ] Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci]02 engineering and technologyTheory of invariants01 natural sciencesConstructiveSet (abstract data type)Constitutive behavior lawMaterials Science(all)0203 mechanical engineeringModelling and SimulationGeneral Materials Science0101 mathematicsMathematicsDegree (graph theory)Basis (linear algebra)Group (mathematics)Continuum (topology)Applied MathematicsMechanical EngineeringState (functional analysis)16. Peace & justiceCondensed Matter Physics010101 applied mathematics020303 mechanical engineering & transportsMechanics of MaterialsModeling and SimulationLaw[PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci]International Journal of Solids and Structures
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Novel algorithms for 3D surface point cloud boundary detection and edge reconstruction

2019

Abstract Tessellated surfaces generated from point clouds typically show inaccurate and jagged boundaries. This can lead to tolerance errors and problems such as machine judder if the model is used for ongoing manufacturing applications. This paper introduces a novel boundary point detection algorithm and spatial FFT-based filtering approach, which together allow for direct generation of low noise tessellated surfaces from point cloud data, which are not based on pre-defined threshold values. Existing detection techniques are optimized to detect points belonging to sharp edges and creases. The new algorithm is targeted at the detection of boundary points and it is able to do this better tha…

PolynomialBoundary detection Edge reconstruction Point-cloudComputer scienceTKFast Fourier transformComputational MechanicsPoint cloudBoundary (topology)02 engineering and technologySettore ING-IND/14 - Progettazione Meccanica E Costruzione Di Macchine0203 mechanical engineeringlcsh:TA1740202 electrical engineering electronic engineering information engineeringEngineering (miscellaneous)Function (mathematics)lcsh:Engineering designComputer Graphics and Computer-Aided DesignHuman-Computer InteractionComputational MathematicsNoise020303 mechanical engineering & transportsModeling and SimulationCurve fittingArtificial noise020201 artificial intelligence & image processingAlgorithmJournal of Computational Design and Engineering
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Benchmarking parameter-free AMaLGaM on functions with and without noise.

2013

We describe a parameter-free estimation-of-distribution algorithm (EDA) called the adapted maximum-likelihood Gaussian model iterated density-estimation evolutionary algorithm (AMaLGaM-ID[Formula: see text]A, or AMaLGaM for short) for numerical optimization. AMaLGaM is benchmarked within the 2009 black box optimization benchmarking (BBOB) framework and compared to a variant with incremental model building (iAMaLGaM). We study the implications of factorizing the covariance matrix in the Gaussian distribution, to use only a few or no covariances. Further, AMaLGaM and iAMaLGaM are also evaluated on the noisy BBOB problems and we assess how well multiple evaluations per solution can average ou…

PolynomialMathematical optimizationLikelihood FunctionsCovariance matrixGaussianEvolutionary algorithmNormal DistributionComputational BiologyComputational Mathematicssymbols.namesakeNoiseEstimation of distribution algorithmArtificial IntelligenceBlack boxsymbolsIncremental build modelComputer SimulationAlgorithmsSoftwareMathematicsEvolutionary computation
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Exact Voronoi diagram of smooth convex pseudo-circles: General predicates, and implementation for ellipses

2013

International audience; We examine the problem of computing exactly the Voronoi diagram (via the dual Delaunay graph) of a set of, possibly intersecting, smooth convex \pc in the Euclidean plane, given in parametric form. Pseudo-circles are (convex) sites, every pair of which has at most two intersecting points. The Voronoi diagram is constructed incrementally. Our first contribution is to propose robust and efficient algorithms, under the exact computation paradigm, for all required predicates, thus generalizing earlier algorithms for non-intersecting ellipses. Second, we focus on \kcn, which is the hardest predicate, and express it by a simple sparse $5\times 5$ polynomial system, which a…

Polynomialexact computationAerospace Engineering02 engineering and technologyComputer Science::Computational GeometryEllipse[INFO.INFO-CG]Computer Science [cs]/Computational Geometry [cs.CG]01 natural sciencesIncircle and excircles of a triangleCombinatoricsparametric curveTheoryofComputation_ANALYSISOFALGORITHMSANDPROBLEMCOMPLEXITY0202 electrical engineering electronic engineering information engineeringPower diagramVoronoi diagramParametric equationimplementationComputingMethodologies_COMPUTERGRAPHICSMathematicsDiscrete mathematics[INFO.INFO-SC]Computer Science [cs]/Symbolic Computation [cs.SC]Regular polygon020207 software engineeringCGALComputer Graphics and Computer-Aided DesignWeighted Voronoi diagram[ INFO.INFO-SC ] Computer Science [cs]/Symbolic Computation [cs.SC]0104 chemical sciences010404 medicinal & biomolecular chemistryModeling and SimulationAutomotive Engineering[ INFO.INFO-CG ] Computer Science [cs]/Computational Geometry [cs.CG]InCircle predicateVoronoi diagram
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A lipocentric view of peptide-induced pores

2010

Although lipid membranes serve as effective sealing barriers for the passage of most polar solutes, nonmediated leakage is not completely improbable. A high activation energy normally keeps unassisted bilayer permeation at a very low frequency, but lipids are able to self-organize as pores even in peptide-free and protein-free membranes. The probability of leakage phenomena increases under conditions such as phase coexistence, external stress or perturbation associated to binding of nonlipidic molecules. Here, we argue that pore formation can be viewed as an intrinsic property of lipid bilayers, with strong similarities in the structure and mechanism between pores formed with participation …

Pore Forming Cytotoxic ProteinsCell Membrane PermeabilityMembrane permeabilityMembrane lipidsPore energeticsBiophysicsThermal fluctuationsReviewMolecular Dynamics SimulationSurface tensionMembrane LipidsAnti-Infective AgentsLipid bilayerChemistryBilayerLipidic poreGeneral MedicinePermeationCrystallographyMembrane permeabilityMembraneBiophysicsAntimicrobial peptidePore structurePorosityPore-forming proteinsEuropean Biophysics Journal
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The positioning system of the ANTARES Neutrino Telescope

2012

The ANTARES neutrino telescope, located 40km off the coast of Toulon in the Mediterranean Sea at a mooring depth of about 2475m, consists of twelve detection lines equipped typically with 25 storeys. Every storey carries three optical modules that detect Cherenkov light induced by charged secondary particles (typically muons) coming from neutrino interactions. As these lines are flexible structures fixed to the sea bed and held taut by a buoy, sea currents cause the lines to move and the storeys to rotate. The knowledge of the position of the optical modules with a precision better than 10cm is essential for a good reconstruction of particle tracks. In this paper the ANTARES positioning sys…

Positioning systemDetector control systems (detector and experiment monitoring and slow-control systems architecture hardware algorithms databases)Detector modelling and simulations II (electric fieldsDetector alignment and calibration methods (lasers sources particle-beams)01 natural sciencesTiming detectorshardwareDetector alignment and calibration methods010303 astronomy & astrophysicsInstrumentationDETECTOR ALIGMENTMathematical PhysicsHigh Energy Astrophysical Phenomena (astro-ph.HE)PhysicsSOUND[SDU.ASTR]Sciences of the Universe [physics]/Astrophysics [astro-ph]Orientation (computer vision)[SDU.ASTR.HE]Sciences of the Universe [physics]/Astrophysics [astro-ph]/High Energy Astrophysical Phenomena [astro-ph.HE]DetectorAstrophysics::Instrumentation and Methods for AstrophysicsTriangulation (computer vision)particle-beams)GeodesyDETECTOR CONTROL SYSTEMDetector modelling and simulations II (electric fields charge transport multiplication and induction pulse formation electron emission etc)Física nuclearNeutrinoAstrophysics - Instrumentation and Methods for AstrophysicsAstrophysics - High Energy Astrophysical Phenomenadatabases)sources[PHYS.ASTR.HE]Physics [physics]/Astrophysics [astro-ph]/High Energy Astrophysical Phenomena [astro-ph.HE]pulse formationarchitecture[PHYS.ASTR.IM]Physics [physics]/Astrophysics [astro-ph]/Instrumentation and Methods for Astrophysic [astro-ph.IM]Astrophysics::High Energy Astrophysical PhenomenaFOS: Physical sciencesddc:500.2DETECTOR MODELLING AND SIMULATIONSDetector modelling and simulations IIalgorithmsPhysics::Geophysics0103 physical sciences14. Life underwaterInstrumentation and Methods for Astrophysics (astro-ph.IM)Cherenkov radiationetc)multiplication and inductionBuoyDetector control systems010308 nuclear & particles physicsDetector control systems (detector and experiment monitoring and slow-control systemsMooringcharge transport[SDU.ASTR.IM]Sciences of the Universe [physics]/Astrophysics [astro-ph]/Instrumentation and Methods for Astrophysic [astro-ph.IM]Detector alignment and calibration methods (laserselectron emissionFISICA APLICADAdetector modelling and simulations ii (electric fields; antares neutrino telescope; multiplication and induction; charge transport; pulse formation; electron emission; etc); hardware; architecture; timing detectors; detector control systems (detector and experiment monitoring and slow-control systems; algorithms; databases); sources; detector alignment; calibration.; acoustic positioning; detector alignment and calibration methods (lasers; particle-beams)
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Towards the Environmental Sustainability of the Construction Sector: Life Cycle Environmental Impacts of Buildings Retrofit

2022

In the context of the need for carbon emissions reduction, the buildingsector, as one of the most energy intensive one, needs tools and approaches towards carbon neutrality and the increase of the buildings overall energy performances. The paper proposes an integrated approach towards the environmental performances analysis of a small neighborhood having as goal the achievement of the Positive Energy District target and the assessment of its environmental impacts. The methodology proposed includes building modeling and dynamic energy simulation using the Energy Plus engine and a simplified Life Cycle Assessment approach. Two scenarios are investigated: i) the existing neighborhood, ii) the …

Positive Energy Districts · Neighborhoods · Building simulation Life Cycle Assessment · Environmental performancesSettore ING-IND/11 - Fisica Tecnica Ambientale
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