Search results for "init"
showing 10 items of 6629 documents
Electronic structure of single-crystal rocksalt CdO studied by soft x-ray spectroscopies andab initiocalculations
2008
Soft x-ray emission spectroscopy (XES) and x-ray absorption spectroscopy (XAS) are employed to investigate the occupied and unoccupied electronic structures in rocksalt-phase single-crystal CdO. Resonant XES at the OK edge reveals a clear Cd 4d-O 2p hybridized peak and momentum-dependent coherent contributions to the resonant emission spectra. Good agreement is obtained between the above-threshold XES and XAS spectra, and the calculated O 2p local partial density of states (PDOS). Calculation of the O 2p PDOS was performed within the GW framework of many-body perturbation theory.
Interplay between local structure, vibrational and electronic properties on CuO under pressure
2020
The electronic and local structural properties of CuO under pressure have been investigated by means of X-ray absorption spectroscopy (XAS) at Cu K edge and ab initio calculations, up to 17 GPa. The crystal structure of CuO consists of Cu motifs within CuO4 square planar units and two elongated apical Cu-O bonds. The CuO4 square planar units are stable in the studied pressure range, with Cu-O distances that are approximately constant up to 5 GPa, and then decrease slightly up to 17 GPa. In contrast, the elongated Cu-O apical distances decrease continuously with pressure in the studied range. An anomalous increase of the mean square relative displacement (EXAFS Debye-Waller, s2) of the elong…
On finite involutive Yang–Baxter groups
2021
[EN] A group G is said to be an involutive Yang¿Baxter group, or simply an IYB-group, if it is isomorphic to the permutation group of an involutive, nondegenerate set-theoretic solution of the Yang-Baxter equation. We give new sufficient conditions for a group that can be factorised as a product of two IYB-groups to be an IYB-group. Some earlier results are direct consequences of our main theorem.
A structural comparison of halloysite nanotubes of different origin by Small-Angle Neutron Scattering (SANS) and Electric Birefringence
2018
The structure of halloysite nanotubes (Hal) from different mines was investigated by Small-Angle Neutron Scattering (SANS) and Electric Birefringence (EBR) experiments. The analysis of the SANS curves allowed us to correlate the sizes and polydispersity and the specific surfaces (obtained by a Porod analysis of the SANS data) of the nanotubes with their specific geological setting. Contrast matching measurements were performed on patch Hal (from Western Australia) in order to determine their experimental scattering length density for a more precise analysis. Further characterization of the mesoscopic structure of Hal was carried out by Electric Birefringence (EBR), which allowed to study th…
Effects of particle clustering on the plastic deformation and damage initiation of particulate reinforced composite utilizing X-ray CT data and finit…
2018
In this paper, a new simulation technique which can include microstructural inhomogeneity of particulate reinforced composites is proposed to accurately study deformation pattern and damage mechanism in these composites. Three dimensional microstructures constructed from XCT images incorporated into finite element modeling codes with minimal approximation to capture the effects of cluster size, local volume fraction of particles in the cluster and the distance between clusters as relevant statistical quantities describing the microstructural inhomogeneity of particulate reinforced composites. A quantitative parameter as degree of clustering is defined to consider particle clustering effect.…
IM-17: a new zeolitic material, synthesis and structure elucidation from electron diffraction ADT data and Rietveld analysis
2014
International audience; The synthesis and the structure of IM-17, a new germanosilicate with a novel zeolitic topology, prepared hydrothermally with decamethonium as the organic structure directing agent, are reported. The structure of calcined and partially rehydrated IM-17 of chemical formula per unit cell |(H2O)14.4|[Si136.50Ge39.50O352] was solved ab initio using electron diffraction ADT data in the acentric Amm2 (setting Cm2m) space group and refined by the Rietveld method. This new zeolite framework type contains a 3D pore system made of intersecting 12, 10 and 8-ring channels.
V-containing ZrO2 inorganic yellow nano-pigments
2015
In this work we report new results on the preparation, characterization and color properties of the inorganic yellow nano-pigmenting system based on monoclinic V–ZrO2 solid solution nanoparticles. The series of solid solution nanopowders were obtained by a polyol technique where the precipitates, obtained after heating at 180 °C ethylene glycol solutions of vanadyl acetonate and zirconium n-propoxide, were annealed at different temperatures up to 1300 °C for a short duration, in order to improve their crystallinity and control the crystalline form of the final nanoparticles. On annealing at around 450 °C highly crystalline tetragonal V-containing zirconia particles were developed, which tra…
Facile synthesis and characterization of monocrystalline cubic ZrO2 nanoparticles
2007
Abstract Crystalline ZrO2 nanoparticles were prepared from zirconium isopropoxide by slow hydrolysis and subsequent hydrothermal treatment of solutions containing various amounts of sodium hydroxide at 180 °C. Whereas moderately basic solutions lead to the formation of nanoparticles of monoclinic ZrO2 with plate-like morphology, and nanoparticles of the cubic ZrO2 high-temperature polymorph with diameters of approx. 5 nm were obtained from strongly basic solutions. The morphology, structure and properties of as-synthesized nanoparticles were characterized using HRTEM, XRD, Raman spectroscopy, UV–vis, PL spectroscopy and BET measurements. The formation of both, the monoclinic and the cubic p…
ChemInform Abstract: Facile Synthesis and Characterization of Monocrystalline Cubic ZrO2Nanoparticles.
2008
Abstract Crystalline ZrO2 nanoparticles were prepared from zirconium isopropoxide by slow hydrolysis and subsequent hydrothermal treatment of solutions containing various amounts of sodium hydroxide at 180 °C. Whereas moderately basic solutions lead to the formation of nanoparticles of monoclinic ZrO2 with plate-like morphology, and nanoparticles of the cubic ZrO2 high-temperature polymorph with diameters of approx. 5 nm were obtained from strongly basic solutions. The morphology, structure and properties of as-synthesized nanoparticles were characterized using HRTEM, XRD, Raman spectroscopy, UV–vis, PL spectroscopy and BET measurements. The formation of both, the monoclinic and the cubic p…
Multiple Mean Models of Statistical Shape and Probability Priors for Automatic Prostate Segmentation
2011
International audience; Low contrast of the prostate gland, heterogeneous intensity distribution inside the prostate region, imaging artifacts like shadow regions, speckle and significant variations in prostate shape, size and in- ter dataset contrast in Trans Rectal Ultrasound (TRUS) images challenge computer aided automatic or semi-automatic segmentation of the prostate. In this paper, we propose a probabilistic framework for automatic initialization and propagation of multiple mean parametric models derived from principal component analysis of shape and posterior probability information of the prostate region to segment the prostate. Unlike traditional statistical models of shape and int…