Search results for "Computer Science Application"

Electronic and vibronic problems of nanosized mixed valence clusters: Advances and challenges

2013

Here we discuss the electronic and vibronic problems of mixed valency (MV) in molecular clusters which are of current interest in areas as diverse as solid-state chemistry, biochemistry, and molecular magnetism. Modern research in these areas is focused on the nanosized clusters at the border between classical and quantum scales and for this reason they are particularly difficult to study. First, we describe a general approach to the evaluation of the energy pattern of MV systems containing arbitrary number of localized spins and itinerant electrons with due account for the double exchange and other relevant interactions, like interelectronic Coulomb repulsion in instantly localized configu…

Medium fidelity modelling of loads in wind farms under non-neutral ABL stability conditions – a full-scale validation study

2017

Thermal activated carrier transfer between InAs quantum dots in very low density samples

2010

In this work we develop a detailed experimental study of the exciton recombination dynamics as a function of temperature on QD-ensembles and single QDs in two low density samples having 16.5 and 25 dots/¼m2. We corroborate at the single QD level the limitation of the exciton recombination time in the smallest QDs of the distribution by thermionic emission (electron emission in transient conditions). A portion of these emitted carriers is retrapped again in other (larger) QDs, but not very distant from those emitting the carriers, because the process is limited by the diffusion length at the considered temperature.

Local dynamics and phase transition in quantum paraelectric SrTiO3 studied by Ti K-edge x-ray absorption spectroscopy

2016

Strontium titanate is a model quantum paraelectric in which, in the region of dominating quantum statistics, the ferroelectric instability is inhibited due to nearly complete compensation of the harmonic contribution into ferroelectric soft mode frequency by the zero- point motion contribution. The enhancement of atomic masses by the substitution of 16 O with 18O decreases the zero-point atomic motion, and low-T ferroelectricity in SrTi18O3 is realized. In this study we report on the local structure of Ti in SrTi16O3 and SrTi18O3 investigated by Extended X-ray Absorption Fine Structure measurements in the temperature range 6 - 300 K.

Interpretation of the U L3-edge EXAFS in uranium dioxide using molecular dynamics and density functional theory simulations

2016

X-ray absorption spectroscopy is employed to study the local structure of pure and Cr-doped UO2 at 300 K. The U L3-edge EXAFS spectrum is interpreted within the multiplescattering (MS) theory using the results of the classical and ab initio molecular dynamics simulations, allowing us to validate the accuracy of theoretical models. The Cr K-edge XANES is simulated within the full-multiple-scattering formalism considering a substitutional model (Cr at U site). It is shown that both unrelaxed and relaxed structures, produced by ab initio density functional theory (DFT) calculations, fail to describe the experiment.

Zn K-edge XANES in nanocrystalline ZnO

2007

Zn K-edge XANES in ZnO has been calculated within the full-multiple-scattering (FMS) and finite difference method (FDM) formalism using the ab initio FDMNES code. The influence of non-muffin-tin potential, bulk defects, surface termination and polarization effects on XANES has been analysed. The obtained theoretical results are compared with available experimental data for polycrystalline and nanocrystalline zinc oxide systems.

Nanoscale x-ray absorption spectroscopy using XEOL-SNOM detection mode

2007

The first results obtained with the prototype system at the synchrotron beamline ID03 at ESRF are presented and illustrate the possibility to detect an element-specific contrast and to perform nanoscale x-ray absorption spectroscopy experiments at the Zn K and W L 3 absorption edges in mixed zinc oxide-zinc tungstate thin films.

Line Shape Measurement and Modelling for Plasma Diagnostics

2014

In this paper we discuss different methods of narrow spectral line shape measurements for a wide spectral range by means of high-resolution spectrometers such as the Fabry-Perot spectrometer, Zeeman spectrometer and Fourier transform spectrometer as well as a theoretical model for spectral line shape modelling and solving of the inverse task based on Tikhonov's regularization method. Special attention is devoted to the line shape measurements for the optically thin light sources filled with Hg, Ar, Xe, Kr for their use in high precision analysers for detection of heavy metals and benzene.

Comparison of ZrO2:Y nanocrystals and macroscopic single crystal luminescence

2007

The luminescence spectra of a tetragonally structured ZrO2:Y single crystal and nanocrystals were compared. It was found that the number of luminescence centers contributed to the spectra. The excitation of luminescence within the band gap region led to different luminescence spectra for the single crystal and nanocrystal samples, whereas recombinative luminescence spectra were the same for both samples. The origin of this difference is that in the nanocrystals, even under excitation within the band gap, charge carriers were created. Zirconium- oxygen complexes distorted by intrinsic defects were proposed to be the luminescence centres responsible for the wide luminescence band observed.

An accurate optical technique for measuring the nuclear polarisation of 3He gas

2010

12 pages; International audience; In the metastability exchange optical pumping cells of our on-site production unit and of our other experimental set-ups, we use a light absorption technique to measure the 3He nuclear polarisation. It involves weak probe beams at 1083 nm, that are either perpendicular or parallel to the magnetic field and cell axis, with suitable light polarisations. When metastability exchange collisions control the populations of the sublevels in the 23S state, absolute values of the 3He ground state nuclear polarisation are directly inferred from the ratio of the absorption rates measured for these probe beams. Our report focuses on the transverse detection scheme for w…