Search results for "Effective density"

showing 3 items of 3 documents

ChemInform Abstract: Specific Heat of Amorphous Silica within the Harmonic Approximation.

2010

We investigate to what extent the specific heat of amorphous silica can be calculated within the harmonic approximation. For this we use molecular dynamics computer simulations to calculate, for a simple silica model (the BKS potential), the velocity autocorrelation function and hence an effective density of states g(ν). We find that the harmonic approximation is valid for temperatures below 300 K but starts to break down at higher temperatures. We show that, to obtain a reliable description of the low-frequency part of g(ν), i.e., where the boson peak is observed, it is essential to use large systems for the simulations and small cooling rates to quench the samples. We find that the calcul…

Molecular dynamicsEffective densitySpecific heatChemistryAutocorrelationHarmonicThermodynamicsGeneral MedicineAtmospheric temperature rangeAmorphous silicaGlass transitionChemInform
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Specific Heat of Amorphous Silica within the Harmonic Approximation

1999

We investigate to what extent the specific heat of amorphous silica can be calculated within the harmonic approximation. For this we use molecular dynamics computer simulations to calculate, for a simple silica model (the BKS potential), the velocity autocorrelation function and hence an effective density of states g(ν). We find that the harmonic approximation is valid for temperatures below 300 K but starts to break down at higher temperatures. We show that, to obtain a reliable description of the low-frequency part of g(ν), i.e., where the boson peak is observed, it is essential to use large systems for the simulations and small cooling rates to quench the samples. We find that the calcul…

Molecular dynamicsMaterials scienceEffective densitySpecific heatAutocorrelationMaterials ChemistryHarmonicThermodynamicsPhysical and Theoretical ChemistryAmorphous silicaAtmospheric temperature rangeGlass transitionSurfaces Coatings and FilmsThe Journal of Physical Chemistry B
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Multi-technique characterization of gold electroplating on silver substrates for cultural heritage applications

2017

Proceedings of the 12th European Conference on Accelerators in Applied Research and Technology (ECAART12).-- et al.

Nuclear and High Energy PhysicsMaterials scienceEffective densityXRFEnergy-dispersive X-ray spectroscopy02 engineering and technologyengineering.material01 natural sciencesElectrodepositionCoatingSputteringSEM-EDXHomogeneity (physics)Gilded silverElectroplatingInstrumentationRBS010401 analytical chemistryMetallurgy021001 nanoscience & nanotechnology0104 chemical sciencesAnodeengineering0210 nano-technologyVoltageNuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms
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