Search results for "methods"

showing 10 items of 4526 documents

Structural Characterization of Organics Using Manual and Automated Electron Diffraction

2010

In the last decade the importance of transmission electron microscopic studies has become increasingly important with respect to the characterization of organic materials, ranging from small organic molecules to polymers and biological macromolecules. This review will focus on the use of transmission electron microscope to perform electron crystallography experiments, detailing the approaches in acquiring electron crystallographic data. The traditional selected area approach and the recently developed method of automated diffraction tomography (ADT) will be discussed with special attention paid to the handling of electron beam sensitive organic materials.

Materials sciencePolymers and PlasticsRenewable Energy Sustainability and the EnvironmentElectron crystallographyBiomedical EngineeringCrystallographic dataNanotechnologyGeneral ChemistryElectronautomated data acquisition; electron diffraction; simulation methods; structure determinationsimulation methodsautomated data acquisitionstructure determinationElectronic Optical and Magnetic MaterialsCharacterization (materials science)Diffraction tomographyElectron diffractionTransmission electron microscopyMaterials ChemistryEnergy filtered transmission electron microscopyelectron diffractionElectrical and Electronic Engineering
researchProduct

Shear-Thinning in Oligomer Melts—Molecular Origins and Applications

2021

We investigate the molecular origin of shear-thinning in melts of flexible, semiflexible and rigid oligomers with coarse-grained simulations of a sheared melt. Entanglements, alignment, stretching and tumbling modes or suppression of the latter all contribute to understanding how macroscopic flow properties emerge from the molecular level. In particular, we identify the rise and decline of entanglements with increasing chain stiffness as the major cause for the non-monotonic behaviour of the viscosity in equilibrium and at low shear rates, even for rather small oligomeric systems. At higher shear rates, chains align and disentangle, contributing to shear-thinning. By performing simulations …

Materials sciencePolymers and Plasticsshear flowOrganic chemistrydiscontinuous Galerkin methodArticlePhysics::Fluid DynamicsViscosityMolecular dynamicsQD241-441semiflexible polymersSoft matteroligomerschemistry.chemical_classificationQuantitative Biology::BiomoleculesShear thinningsoft mattershear-thinningGeneral ChemistryPolymernon-Newtonian fluidsNon-Newtonian fluidmolecular dynamicsShear (sheet metal)Condensed Matter::Soft Condensed MatterchemistryChemical physicsShear flowheterogeneous multiscale methodsPolymers
researchProduct

Ab initio study of the SrTiO3, BaTiO3 and PbTiO3 (001) surfaces

2004

The results of first-principles calculations of the two possible terminations of (0 0 1) surfaces of SrTiO 3 (STO), BaTiO3 (BTO) and PbTiO3 (PTO) perovskites are presented. Surface atomic structures and their electronic configurations have been calculated using ab initio density functional theory (DFT) combined with hybrid (B3PW) exchange-correlation technique. Our results are compared with previous quantum mechanical calculations and available experimental data. Surface relaxations and the electronic states near valence band gap are discussed in details for all three perovskites. © 2004 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

Materials scienceProcess Chemistry and TechnologyRelaxation (NMR)Ab initioElectronic structureMolecular physicsTitanateSurfaces Coatings and FilmsElectronic Optical and Magnetic Materialschemistry.chemical_compoundchemistryComputational chemistryAb initio quantum chemistry methodsMaterials ChemistryCeramics and CompositesStrontium titanateDensity functional theoryElectron configurationCeramics International
researchProduct

Silicon resonator sensors: interrogation techniques and characteristics

1988

Interferometric and noninterferometric optical-fibre sensing systems for resonator vibrations are described. The quality factor variation with pressure, the temperature dependence of resonant frequency and the acceleration sensitivity are given for a double-ended tuning-fork based acceleratometer.

Materials scienceSiliconbusiness.industryGeneral EngineeringAstrophysics::Instrumentation and Methods for Astrophysicschemistry.chemical_elementPhysics::OpticsFísicaAccelerometerVibrationInterferometryResonatorAccelerationQuality (physics)OpticschemistryPhysics::Atomic and Molecular ClustersAstrophysics::Solar and Stellar AstrophysicsSensitivity (control systems)Physics::Chemical Physicsbusiness
researchProduct

Inelastic Light Scattering Contribution to the Study of the Onset of Sintering of a Nanopowder

2017

International audience; The onset of the sintering of 5 nm ZrO2 and TiO2 nanoparticles is investigated by various methods including inelastic light scattering. A special attention is paid to low-frequency Raman spectra where scattering from confined acoustic vibrations and quasielastic scattering manifest. Significant changes are observed between samples sintered at different temperatures or applied forces. A detailed analysis of the spectra enables to follow the variation of the size of the nanoparticles, the surface area, and the formation of internanoparticles necks in the sintered materials. Finally, low-frequency scattering is shown to be more sensitive to the onset of sintering than m…

Materials scienceSinteringNanoparticle02 engineering and technology010402 general chemistry01 natural sciencesLight scatteringSpectral linesymbols.namesakeOpticsCondensed Matter::SuperconductivityPhysics::Chemical PhysicsPhysical and Theoretical ChemistryComputingMilieux_MISCELLANEOUSQuasielastic scatteringCondensed matter physicsScatteringbusiness.industry[CHIM.MATE]Chemical Sciences/Material chemistry021001 nanoscience & nanotechnology0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic Materials[ CHIM.POLY ] Chemical Sciences/PolymersGeneral Energy[CHIM.POLY]Chemical Sciences/Polymers[ CHIM.MATE ] Chemical Sciences/Material chemistrysymbolsExperimental methods0210 nano-technologybusinessRaman spectroscopy
researchProduct

Analysis, characterization and minimization of IPMSMs cogging torque with different rotor structures

2015

This paper presents the analysis, characterization and comparison of the cogging torque components generated by five different IPMSM rotor structures. More in detail, an IPMSM model (named IPMSM1), which is derived from a commercial geometry, is analyzed by using a Finite Element Method (FEM) approach. Then, four other IPMSM models, which are obtained by modifying the IPMSM1 rotor structure and by maintaining the same stator configuration, are proposed and analyzed. From the obtained simulation results, the cogging torque components for each structure are determined and compared. From this comparison, a significant cogging torque decrease is occurring for the modified geometries, without af…

Materials scienceStatorFinite element analysiGeometrySettore ING-IND/32 - Convertitori Macchine E Azionamenti ElettriciForginglaw.inventionlawControl theoryRotorTorquePermanent magnet motorFEM analysiRotor (electric)Cogging torquepermanent magnetsCogging torqueFinite element methodIPMSMQuantitative Biology::Quantitative MethodsDirect torque controlTorqueReduction (mathematics)ForgingHarmonic analysioptimization
researchProduct

Strength distribution of elementary flax fibres

2005

Abstract Flax fibres, along with a number of other natural fibres, are being considered as an environmentally friendly alternative of synthetic fibres in fibre-reinforced polymer composites. A common feature of natural fibres is a much higher variability of mechanical properties. This necessitates study of the flax fibre strength distribution and efficient experimental methods for its determination. Elementary flax fibres of different gauge lengths are tested by single fibre tension in order to obtain the stress–strain response and strength and failure strain distributions. The applicability of single fibre fragmentation test for flax fibre failure strain and strength characterization is co…

Materials scienceSynthetic fiberTension (physics)Failure strainGeneral EngineeringCeramics and CompositesPolymer compositesLength effectExperimental methodsComposite materialNatural fiberFlax fibreComposites Science and Technology
researchProduct

Molecular dynamics of CH4/N2 mixtures on a flexible graphene layer: adsorption and selectivity case study

2019

We theoretically investigate graphene layers, proposing them as membranes of subnanometer size suitable for CH4/N2 separation and gas uptake. The observed potential energy surfaces, representing the intermolecular interactions within the CH4/N2 gaseous mixtures and between these and the graphene layers, have been formulated by adopting the so-called Improved Lennard-Jones (ILJ) potential, which is far more accurate than the traditional Lennard-Jones potential. Previously derived ILJ force fields are used to perform extensive molecular dynamics simulations on graphene's ability to separate and adsorb the CH4/N2 mixture. Furthermore, the intramolecular interactions within graphene were explic…

Materials scienceUNESCO::QUÍMICA02 engineering and technology010402 general chemistry01 natural sciences:QUÍMICA [UNESCO]law.inventionlcsh:ChemistryMolecular dynamicsAdsorptionlawAb initio quantum chemistry methodsFlexibility (engineering)Grapheneab initio calculationsIntermolecular forceGeneral Chemistryflexible graphene021001 nanoscience & nanotechnologyPotential energymolecular dynamics0104 chemical scienceslcsh:QD1-999adsorptionChemical physicsIntramolecular forceab-initio potential0210 nano-technologyAb initio calculations; Ab-initio potential; Adsorption; Flexible graphene; Molecular dynamics
researchProduct

The effect of alkaline treatment on mechanical properties of kenaf fibers and their epoxy composites

2015

Abstract In this work, kenaf fibers were pre-treated in a NaOH solution (6% in weight) at room temperature for two different periods (48 and 144 h). The chemical treatment of kenaf fibers for 48 h allowed to clean their surface removing each impurity whereas 144 h of immersion time had detrimental effect on the fibers surface and, consequently, on their mechanical properties. Untreated and NaOH treated kenaf fibers (i.e. for 48 h) were also used as reinforcing agent of epoxy resin composites. The effect of the stacking sequence (i.e. using unidirectional long fibers or randomly oriented short fibers) and the chemical treatment on the static mechanical properties was evaluated showing that t…

Materials sciencebiologyMechanical EngineeringStackingA. Wood; B. Adhesion; B. Fiber/matrix bond; C. Statistical properties/methods; D. Mechanical testingMechanical testingEpoxyDynamic mechanical analysisAlkali metalbiology.organism_classificationWoodIndustrial and Manufacturing EngineeringKenafSettore ING-IND/22 - Scienza E Tecnologia Dei MaterialiMechanics of MaterialsImpurityvisual_artDynamic modulusAdhesionCeramics and Compositesvisual_art.visual_art_mediumFiber/matrix bondComposite materialGlass transitionStatistical properties/method
researchProduct

Laser Vibrometer Interferometry for Speckle Patterns Tracking Systems

2017

In this paper we propose a modulated laser system combining a speckle pattern tracking method for surface tilting changes sensing with an interferometer for surface z-axis changes sensing at the same scan time.

Materials sciencebusiness.industryAstrophysics::Instrumentation and Methods for AstrophysicsSpeckle noiseTracking system02 engineering and technology021001 nanoscience & nanotechnologyLaser01 natural scienceslaw.invention010309 opticsInterferometrySpeckle patternOpticslawElectronic speckle pattern interferometry0103 physical sciencesSpeckle imaging0210 nano-technologybusinessLaser Doppler vibrometerConference on Lasers and Electro-Optics
researchProduct