Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 20 of 26 for “"Total Scattering"”.
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NMR and neutron total scattering studies of silicon-based anode materials for lithium-ion batteries
… reactions of lithium with silicon, using neutron total scattering and nuclear magnetic resonance, together with novel processing methodologies for analysing the resulting data, in the hope of suggesting ways of improving the performance of silicon-based lithium-ion batteries. Neutron total …
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The analysis of local structural effects in alloys using total scattering and reverse Monte Carlo techniques
… required for the analysis of diffuse scattering, such work has been largely abandoned and hence quantification and assessment of SRO is notably sparse in the literature. The recent development of reverse Monte-Carlo (RMC) methods for the analysis of total scattering data has opened a …
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Fingerprinting analysis of non-crystalline pharmaceutical compounds using high energy X-rays and the total scattering pair distribution function
… the use of high energy X-rays coupled with total scattering pair distribution function (TSPDF) and fingerprinting analysis to investigate the local structures of non-crystalline pharmaceutical compounds. The high energy X-rays allow us to experimentally collect diffuse scattering …
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Development of Multivariate Powder X-ray Diffraction Techniques and Total Scattering Analyses to Enable Informatic Calibration of Solid Dispersion Potential
… systems. Specific emphasis will be placed ontotal scattering data manipulations and their benefits over traditional practices. The concluding part of this work is devoted to illustrating the use of materials informatics in modeling solid dispersion potential, ultimately afforded by …
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The Development of Hybrid Liquids and Glasses
… midrange order in MOF glasses, measured by X-ray total-scattering, is interpreted using existing theory for inorganic glasses. The number of MOFs which form liquids on heating is small relative to the total number of known crystalline MOF structures due to decomposition of the framework occurring …
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Diffuse X-ray scattering from tropomyosin crystals
… in the crystal which profoundly affect the X-ray scattering are important. All motions in the crystal affect the Bragg scattering and also give rise to diffuse scattering between and surrounding the Bragg spots. The diffuse X-ray scattering may comprise a large part of the total scattering from …
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Dynamic Properties of Materials: Phonons from Neutron Scattering
… performed experimentally with neutron scattering techniques and coupled with the two powerful new computational methodologies I have developed. The first approach involves phonon-based simulations of the pair distribution function -- a histogram of localised atomic positions generated …
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ΦΑΣΜΑΤΟΣΚΟΠΙΚΗ ΜΕΛΕΤΗ ΒΑΘΜΙΔΩΝ ΘΕΡΜΟΚΡΑΣΙΑΣ ΣΤΗΝ ΕΠΙΦΑΝΕΙΑ ΗΜΙΑΓΩΓΩΝ, ΛΟΓΩ ΑΚΤΙΝΟΒΟΛΙΑΣ LASER
… IT AS THE RESULT OF AN INTEGRATION, OVER THE TOTAL SCATTERING VOLUME, OF ELEMENTARY CONTRIBUTIONS. THE CHARACTERISTICS OF THESE DIFFERENTIAL CONTRIBUTIONS (BANDS) VARY ACCORDING TO THE TEMPERATURE DEPENDENCE OF THE OPTICAL FUNCTIONSAND OF THE UNHARMONIC AND THERMOELASTIC PROPERTIES OF THE …
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Jahn-Teller distortions in layered nickel oxides
… structure, in conjunction with EXAFS and neutron total scattering as probes of the local structure, are presented. The neutron total scattering data is studied via modelling of large supercells. The analysis yields insight on the nature of the Jahn-Teller transitions. I find a displacive …
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Physical and Chemical Properties of Laboratory and Ambient Aerosols Related to Climate Change
… the agreement between measured and predicted total scattering coefficients (sigmasp) at RH = 80% from 35% to 11%. The closure experiment revealed the importance of keeping the nephelometry system isothermal when measuring particle scattering coefficients as a function of RH or as particles …
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Investigation of structural changes in vanadium containing transition metal oxides
We have completed an experiment to obtain diffuse scattering data for use in a comprehensive study of the local-structure changes as a function of molybdenum composition and have made large strides in interpreting some of the major changes found in this study. For these experiments, single crystals …
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Deep learning for nanofluidic scattering microscopy
… by several orders of magnitude. A video of the total scattering intensity is then recorded with a high frame rate camera (capturing 200 fps) in order to capture the movement of the molecules as well as the optical contrast of the biomolecules with respect to the nanochannel. From the movement of …
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Lattice Dynamics in Temperature-driven and Photo-induced Phase Transitions
<p>Advancements in inelastic X-ray and neutron scattering techniques nowadays allow for the nearly complete measurement of anharmonic phonon behaviors near phase transitions. It is difficult to explain the observed effects of phonon anharmonicity without using first-principles calculations, for …
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Local structure of hybrid metal-halide perovskites
… and temperature dependent X-ray and neutron total scattering of d6-MAPb(ClxBr1−x)3. It was found that both the local structure (r < 10 Å) and the average structure (r > 10 Å) at room temperature were well described by the same space group, in contrast to previous reports. Suppression of the …
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Applications in Remote Sensing Using the Method of Ordered Multiple Interactions
… the integral<br />equations describing surface scattering which is both computationally efficient and reliably<br />convergent. The method has been applied in a variety of ways to solving the electromagnetic<br />scattering from perfectly-conducting rough surfaces. A desire to more accurately …
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Synthesis and Characterisation of new materials formed from metal-organic frameworks and glasses
… components of the synthesised materials using total scattering X-ray pair distribution function data, through the development of a new methodology. This work provides a basis into the realm of combining ZIF glasses with inorganic and polymeric glasses, with the aim of designing functionalised …
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Towards Glasses from Two-Dimensional Hybrid Organic–Inorganic Perovskites
… glassy phases. Through a combination of X-ray total scattering, spectroscopic techniques, and solid-state NMR, structural disorder is elucidated over various length scales, while dynamic molecular motion during melting and vitrification is probed. These insights are further correlated with the …
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The formation of contrast in scanning helium microscopy
… (a first generation pinhole SHeM using a 90° total scattering angle) to operate in a modular manner with improved spatial resolution, improved angular resolution, or making changes in image perspective possible. Using the high spatial resolution mode the first helium micrographs with a large …
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Local Structures of Niobium-Containing Cation-Disordered Rocksalt Materials: Cobalt-Free Cathodes for Lithium-Ion Batteries
… employed, including X-ray diffraction, neutron total scattering, solid state nuclear magnetic resonance, X-ray absorption spectroscopy and magnetic susceptibility measurements. These techniques are used in combination with electrochemical cycling to probe the local and long-range structures of …
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