Search results for "Diffraction"
showing 10 items of 1584 documents
Phase separation as a key to a thermoelectric high efficiency
2012
This work elucidates the possible reasons for the outstanding, but never reproduced thermoelectric properties of the doped Ti(0.5)Zr(0.25)Hf(0.25)NiSn Heusler compounds. The structural investigations done via synchrotron X-ray diffraction measurements and scanning electron microscope measurements, which clearly show that the microstructure consists of three temperature stable C1(b) phases with possible semi-coherent interfaces, are presented. The exceptional thermoelectric properties are due to this intrinsic phase separation. It is possible to reproduce the high Figure of Merit values with ZT = 1.2 at 830 K. Furthermore, the influence of doping different elements on the Sn position in this…
Effect of High Pressure on the Crystal Structure and Vibrational Properties of Olivine-Type LiNiPO4
2018
In this work, we present an experimental and theoretical study of the effects of high pressure and high temperature on the structural properties of olivine-type LiNiPO4. This compound is part of an interesting class of materials primarily studied for their potential use as electrodes in lithium-ion batteries. We found that the original olivine structure (α-phase) is stable up to ∼40 GPa. Above this pressure, the onset of a new phase is observed, as put in evidence by the X-ray diffraction (XRD) experiments. The structural refinement shows that the new phase (known as β-phase) belongs to space group Cmcm. At room temperature, the two phases coexist at least up to 50 GPa. A complete conversio…
Influence of hydrogen intercalation on the local structure around Re ions in perovskite‐type ReO 3
2005
octahedra with the Re-O-Re angle equal to 169° and the Re-O distance of about 1.90 A [9]. More accurate information on the local atomic and electronic structure of the bronzes can be ob-tained using XAS, which is a structural method complimentary to diffraction. To our knowledge, no such works have been performed until now. In this work, we present the first results of the in-situ XAS study of hydrogen intercalation into ReO
Structure solution of zeolites by automated electron diffraction tomography - Impact and treatment of preferential orientation
2014
Abstract In this paper the reliability of structure solution of nano-crystalline porous compounds with preferred orientation based on automated electron diffraction tomography (ADT) is discussed. It will be shown that the limitations of the data acquisition geometry can be overcome by completing the missing diffraction data with additional diffraction information. Apart from different ways of sample preparation, data merging with either additional ADT data sets or intensities derived from X-ray powder diffraction comprise an effective way to improve the accuracy of the structure solution.
Applications of automated diffraction tomography (ADT) on nanocrystalline porous materials
2013
Abstract Many porous materials, both inorganic and hybrid organic–inorganic, can only be synthesized as nanocrystals. X-ray powder diffraction delivers one-dimensional data from the overall sample and is therefore often limited by peak overlap at low or medium resolution and by peak broadening. Thus, structure solution of materials with large unit cells and low symmetry, disorder or pseudosymmetry, or available only in polyphasic systems, turns out to be problematic or even impossible. Electron diffraction allows collecting three-dimensional structure information from nanocrystalline materials, but is traditionally biased by low completeness of the diffraction data, dynamical scattering and…
Accommodation in human eye models: a comparison between the optical designs of Navarro, Arizona and Liou-Brennan.
2017
Aim To simulate and compare accommodation in accommodative and non-accommodative human eye models. Methods Ray tracing and optical design program was used. Three eye models were designed and studied: the Navarro, the Arizona and the Liou-Brennan. In order to make the Navarro and Liou-Brennan models to accommodate, specific geometric parameters of the models were altered with values that were chosen from the literature. For the Arizona model, its' mathematical functions for accommodation were used for the same accommodative demands. The simulation included four distances of accommodation for each model: at infinity, 3, 1 and 0.5 m.The results were diffraction images of a "letter F" for graph…
High-pressure structural, elastic, and thermodynamic properties of zircon-type HoPO4 and TmPO4
2017
[EN] Zircon-type holmium phosphate (HoPO4) and thulium phosphate (TmPO4) have been studied by single-crystal x-ray diffraction and ab initio calculations. We report on the influence of pressure on the crystal structure, and on the elastic and thermodynamic properties. The equation of state for both compounds is accurately determined. We have also obtained information on the polyhedral compressibility which is used to explain the anisotropic axial compressibility and the bulk compressibility. Both compounds are ductile and more resistive to volume compression than to shear deformation at all pressures. Furthermore, the elastic anisotropy is enhanced upon compression. Finally, the calculation…
Study of plastic deformation modes in zirconium by color image analysis
2004
Abstract Twinning, as a deformation mode, is a complement to slip. This paper deals with the study from a qualitative point of view, as well as from a quantitative one. Besides techniques widely used in materials science studies such as electron backscattered diffraction (EBSD) or X-ray diffraction (XRD), colour image analysis technique are presented here. Its results manage to confirm or complete the ones obtained, thanks to others methods.
Elastic Properties of Barium Zirconate Titanate Ceramics
2011
In the paper the influence of zirconium admixture on the structure and material constants of polycrystalline ferroelectric materials BaZrxTi1-xO3 (BZT) was examined. The barium zirconate titanate samples were prepared by a conventional solid state reaction method. A single phase with perovskite structure of the samples, was identified by an X-Ray diffraction technique at room temperature. The performed EDS study revealed that the samples were perfectly sintered and the material was chemically homogeneous. The dependence of shear modulus G on sample composition is similar to the respective dependence of Young's modulus E, whereas the Poisson's ratio ν decreases with the increase in zirconium…
Polymorphism in Strontium Tungstate SrWO 4 under Quasi-Hydrostatic Compression
2016
The structural and vibrational properties of SrWO4 have been studied experimentally up to 27 and 46 GPa, respectively, by angle-dispersive synchrotron X-ray diffraction and Raman spectroscopy measurements as well as using ab initio calculations. The existence of four polymorphs upon quasi-hydrostatic compression is reported. The three phase transitions were found at 11.5, 19.0, and 39.5 GPa. The ambient-pressure SrWO4 tetragonal scheelite-type structure (S.G. I41/a) undergoes a transition to a monoclinic fergusonite-type structure (S.G. I2/a) at 11.5 GPa with a 1.5% volume decrease. Subsequently, at 19.0 GPa, another structural transformation takes place. Our calculations indicate two possi…