Search results for "Varying thickness"

showing 3 items of 3 documents

Vibrational Sum Frequency Generation Spectroscopy of the Water Liquid–Vapor Interface from Density Functional Theory-Based Molecular Dynamics Simulat…

2013

International audience; The vibrational sum frequency generation (VSFG) spectrum of the water liquid-vapor (LV) interface is calculated using density functional theory-based molecular dynamics simulations. The real and imaginary parts of the spectrum are in good agreement with the experimental data, and we provide an assignment of the SFG bands according to the dipole orientation of the interfacial water molecules. We use an instantaneous definition of the surface, which is more adapted to the study of interfacial phenomena than the Gibbs dividing surface. By calculating the vibrational (infrared, Raman) properties for interfaces of varying thickness, we show that the bulk spectra signature…

InfraredBulk spectra02 engineering and technologyMolecular dynamicsVibrational sum-frequency generations010402 general chemistry01 natural sciencesMolecular physicsSpectral lineInterfacial phenomenaLiquid-vapor interfaceMolecular dynamicssymbols.namesakeDipole orientationComputational chemistryGeneral Materials SciencePhysical and Theoretical ChemistryDividing surfacesDensity functionalsSum-frequency generationMolecular dynamics simulationsChemistryInterfacial water moleculesThin layers021001 nanoscience & nanotechnologyLiquid-vapor0104 chemical sciencesDipoleImaginary partsDensity functional theoryVaporssymbolsDensity functional theory[PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph]0210 nano-technologyRaman spectroscopyVarying thicknessSum frequency generation spectroscopyThe Journal of Physical Chemistry Letters
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Interactive multiobjective optimization system NIMBUS applied to nonsmooth structural design problems

1996

We shortly describe an interactive method, called NIMBUS, for multiobjective optimization involving nondifferentiable and nonconvex functions. We illustrate the functioning of NIMBUS by numerical examples in the area of structural design. We consider a beam with varying thickness and our aim is to find a thickness distribution in such a way that the resulting structure is as good as possible.

Mathematical optimizationDistribution (mathematics)Structure (category theory)Varying thicknessMulti-objective optimizationMathematics
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Raman Spectroscopy and Low-Temperature Transport Measurements of Individual Single-Walled Carbon Nanotubes with Varying Thickness

2009

We have investigated two metallic and one semiconducting individual single-walled carbon nanotubes (SWNT) and one bundle of two semiconducting nanotubes with a diameter range 1.1−2.9 nm with Raman spectroscopy and low-temperature electric transport measurements. With these two methods, we obtain mutually independent measurements on the basic properties of a specific nanotube. In particular, we obtain data on metallic and semiconducting properties. Evidence of a small band gap for one metallic tube was obtained. For the semiconducting SWNTs with diameters of 2.7−2.9 nm, a special resonance condition was observed which causes an anomalous intensity ratio for the two components of the G-band. …

Range (particle radiation)NanotubeMaterials scienceBand gapResonanceNanotechnologyCarbon nanotubeCondensed Matter::Mesoscopic Systems and Quantum Hall EffectMolecular physicsVarying thicknessSurfaces Coatings and FilmsElectronic Optical and Magnetic Materialslaw.inventionMetalCondensed Matter::Materials Sciencesymbols.namesakeGeneral Energylawvisual_artvisual_art.visual_art_mediumsymbolsPhysical and Theoretical ChemistryRaman spectroscopyThe Journal of Physical Chemistry C
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