Search results for "Computational physics"

showing 10 items of 725 documents

Fractal approach in petrology: combining ultra small angle, small angle and intermediate angle neutron scattering

2000

Ultra small angle neutron scattering (USANS) instruments have recently covered the gap between the size resolution available with conventional intermediate angle neutron scattering and small angle neutron scattering (SANS) instruments on one side and optical microscopy on the other side. New fields of investigations are now open and important areas of material science (ceramics, glass fibers, natural materials) and fundamental physics (phase transition, phase separation and critical phenomena) can be studied in bulk samples with an accuracy previously unobtainable owing to a combination of favourable features of the neutron-matter interaction: high penetrability of neutrons, even cold neutr…

Materials sciencebusiness.industryCritical phenomenaMomentum transferNeutron scatteringSmall-angle neutron scatteringFractal dimensionGeneral Biochemistry Genetics and Molecular BiologyComputational physicsOpticsNeutronBiological small-angle scatteringbusinessIntensity (heat transfer)Journal of Applied Crystallography
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1/f noise in streaming electrification

2005

The paper presents the measurement results of the noise generated by static electricity. The tests were performed in the spinning-disk system. Insulation liquid (transformer oil) was used for electrostatic charge generation. The element measured was the current flowing to the disk surface. A stochastic term is present in the current. Existance of this term is due to the complex chemical constitution of the oil. A relaxation of the polar molecules has inertial character. The spreading of a large amount of the relaxation phenomena can lead to forming a compounded spectrum close in shape to 1/f noise. Power spectral density of the polarization was defined for periodic step function. The calcul…

Materials sciencebusiness.industryTransformer oilStep functionElectrical engineeringRelaxation (physics)Spectral densityCurrent (fluid)businessPolarization (waves)Noise (electronics)Electric chargeComputational physicsIEEE International Conference on Dielectric Liquids, 2005. ICDL 2005.
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Anisotropy of the stiffness and strength of rigid low-density closed-cell polyisocyanurate foams

2016

The cells of polymer foams are usually extended in the foam rise direction, causing a geometrical anisotropy, the degree of which, characterized by the cell aspect ratio R, depends on foam density and production method. Such elongated cell shape translates into anisotropy of the mechanical properties of foams. Rigid low-density closed-cell polyisocyanurate foams of apparent density ranging from ca. 30 to 75 kg/m3, containing polyols derived from renewable resources, have been produced and tested for the stiffness and strength in the foam rise and transverse directions in order to experimentally characterize their mechanical anisotropy. Analytical relations for foams with rectangular paralle…

Materials sciencebusiness.product_categoryPolyisocyanurateTapering02 engineering and technology0203 mechanical engineeringlcsh:TA401-492medicineGeneral Materials ScienceComposite materialAnisotropyPhysics::Computational Physicschemistry.chemical_classificationMechanical EngineeringStiffnessPolymer021001 nanoscience & nanotechnologyAspect ratio (image)Condensed Matter::Soft Condensed MatterParallelepipedTransverse plane020303 mechanical engineering & transportschemistryMechanics of Materialslcsh:Materials of engineering and construction. Mechanics of materialsmedicine.symptom0210 nano-technologybusinessMaterials & Design
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Numerical study of surface waves generated by low frequency EM field for silicon refinement

2018

One of the most perspective methods to produce solar grade silicon is refinement via metallurgical route. The most critical part of this route is refinement from boron and phosphorus due to high segregation coefficients. One possible approach to remove boron is use of reactive gas on surface of silicon melt. An approach of creating surface waves on silicon melt's surface is proposed in order to enlarge its area and accelerate removal of boron via chemical reactions. This paper focuses on numerical analysis of surface wave creation by means of low frequency magnetic field. Frequency of magnetic field and its amplitude significantly change the character of surface waves with most changes occu…

Materials sciencechemistrySiliconPhysics::Instrumentation and DetectorsImpuritySurface wavePhase (waves)chemistry.chemical_elementLow frequencyDiffusion (business)BoronComputational physicsMagnetic fieldIOP Conference Series: Materials Science and Engineering
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Advanced approach to the local structure reconstruction and theory validation on the example of the W L 3 -edge extended x-ray absorption fine struct…

2018

The authors gratefully acknowledge the assistance of the ELETTRA XAFS beamline staff members during the EXAFS experiment No 20150303. This work has been carried out within the framework of the EUROfusion Consortium and has received funding from the Euratom research and training programme 2014-2018 under grant agreement No 633053. The views and opinions expressed herein do not necessarily reflect those of the European Commission.

Materials sciencechemistry.chemical_elementFOS: Physical sciences02 engineering and technologyEdge (geometry)Tungsten01 natural sciencesLocal structureTungstenCondensed Matter::Materials Science0103 physical sciences:NATURAL SCIENCES:Physics [Research Subject Categories]General Materials Science010306 general physicsReverse Monte Carlo simulationsCondensed Matter - Materials ScienceExtended X-ray absorption fine structureMolecular dynamics simulationsMaterials Science (cond-mat.mtrl-sci)021001 nanoscience & nanotechnologyCondensed Matter PhysicsComputer Science ApplicationsComputational physicsEXAFSchemistryMechanics of MaterialsModeling and Simulation0210 nano-technologyModelling and Simulation in Materials Science and Engineering
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Small angle neutron scattering on periodically deformed polymers

1984

Small angle neutron scattering from periodically deformed samples is a useful extension of the methods presently available for the study of molecular dynamics of polymers. In this paper we describe apparatus that has been used to produce large cyclic deformations at frequencies upto 10 Hz and the principles by which data is collected to give spectra corresponding to different states of strain of the sample. Some data on model polydimethylsiloxane networks is given as an illustration of the value of this technique.

Materials sciencedata collectionspectra02 engineering and technologysmall angle neutron scattering010402 general chemistry01 natural sciencescyclic deformationsSpectral linechemistry.chemical_compoundMolecular dynamicsOpticsmolecular reorientationpolymersneutron diffraction examination of materialschemistry.chemical_classificationPolydimethylsiloxanebusiness.industryPolymerpolydimethylsiloxane networks021001 nanoscience & nanotechnologySmall-angle neutron scatteringmolecular dynamics0104 chemical sciencesComputational physicschemistry[PHYS.HIST]Physics [physics]/Physics archivesBiological small-angle scattering0210 nano-technologybusinessperiodically deformed polymers
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Investigation of temperature coefficients of PV modules through field measured data

2021

Abstract Varying broadband irradiance and temperature are generally known as the major factors influencing the performance of PV modules, but studies have also shown the substantial impact of spectral variations. In this work, a simple and efficient method to calculate the temperature coefficient using long term data is demonstrated. Temperature coefficients of PV modules are estimated from long term performance data following IEC 60891 standard with additional spectral correction, and are compared against the datasheet values. Significant improvement of correlation coefficient from −0.89 to −0.97 is observed during the regression for maximum power temperature coefficient of two poly-crysta…

Maximum power principleCorrelation coefficientRenewable Energy Sustainability and the Environment020209 energyIrradianceVDP::Matematikk og Naturvitenskap: 40002 engineering and technologyPhoton energy021001 nanoscience & nanotechnologyStandard deviationComputational physics0202 electrical engineering electronic engineering information engineeringRange (statistics)General Materials Science0210 nano-technologyTemperature coefficientDatasheetMathematicsSolar Energy
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Characterizing cavities in model inclusion molecules: a comparative study

1998

We have selected fullerene-60 and -70 cavities as model systems in order to test several methods for characterizing inclusion molecules. The methods are based on different technical foundations such as a square and triangular tessellation of the molecule taken as a unitary sphere, spherical tessellation of the molecular surface, numerical integration of the atomic volumes and surfaces, triangular tessellation of the molecular surface, and a cubic lattice approach to a molecular space. Accurate measures of the molecular volume and surface area have been performed with the pseudo-random Monte Carlo (MCVS) and uniform Monte Carlo (UMCVS) methods. These calculations serve as a reference for the…

Models MolecularFullereneMaterials scienceMonte Carlo methodComputer Graphics and Computer-Aided DesignFractal dimensionCarbonTriangular tilingStandard deviationComputational physicsNumerical integrationComputational chemistryLattice (order)Materials ChemistryMoleculeComputer SimulationFullerenesPhysical and Theoretical ChemistryMonte Carlo MethodAlgorithmsSoftwareSpectroscopyJournal of Molecular Graphics and Modelling
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An efficient dissipative particle dynamics-based algorithm for simulating electrolyte solutions

2015

We propose an efficient simulation algorithm based on the dissipative particle dynamics (DPD) method for studying electrohydrodynamic phenomena in electrolyte fluids. The fluid flow is mimicked with DPD particles while the evolution of the concentration of the ionic species is described using Brownian pseudo particles. The method is designed especially for systems with high salt concentrations, as explicit treatment of the salt ions becomes computationally expensive. For illustration, we apply the method to electro-osmotic flow over patterned, superhydrophobic surfaces. The results are in good agreement with recent theoretical predictions.

Models MolecularOsmosisMaterials scienceSurface PropertiesGeneral Physics and AstronomyIonic bondingFOS: Physical sciencesElectrolyteCondensed Matter - Soft Condensed MatterIonPhysics::Fluid DynamicsElectrolytesFluid dynamicsPhysical and Theoretical ChemistryBrownian motionDissipative particle dynamicsFluid Dynamics (physics.flu-dyn)MechanicsPhysics - Fluid DynamicsComputational Physics (physics.comp-ph)SolutionsCondensed Matter::Soft Condensed MatterFlow (mathematics)HydrodynamicsSoft Condensed Matter (cond-mat.soft)SaltsElectrohydrodynamicsPhysics - Computational PhysicsHydrophobic and Hydrophilic InteractionsAlgorithms
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Liquid methane at extreme temperature and pressure: Implications for models of Uranus and Neptune

2012

We present large scale electronic structure based molecular dynamics simulations of liquid methane at planetary conditions. In particular, we address the controversy of whether or not the interior of Uranus and Neptune consists of diamond. In our simulations we find no evidence for the formation of diamond, but rather sp2-bonded polymeric carbon. Furthermore, we predict that at high tem- perature hydrogen may exist in its monoatomic and metallic state. The implications of our finding for the planetary models of Uranus and Neptune are in detail discussed.

Monatomic gasMaterials sciencePhysics and Astronomy (miscellaneous)HydrogenUranusDiamondchemistry.chemical_elementElectronic structureengineering.materialAstrobiologyMolecular dynamicschemistryNeptunePhysics - Chemical PhysicsengineeringCarbonPhysics - Computational PhysicsCondensed Matter - Statistical MechanicsAstrophysics - Earth and Planetary Astrophysics
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