Dissertations / Theses on the topic 'SOLID-STATE METHOD'
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Jolly, Michael Matthew. "Method development in biological solid-state NMR." Thesis, University of Southampton, 2017. https://eprints.soton.ac.uk/422129/.
Full textAsami, Sam. "Method development for biomolecular solid-state NMR spectroscopy." Doctoral thesis, Humboldt-Universität zu Berlin, Mathematisch-Naturwissenschaftliche Fakultät I, 2014. http://dx.doi.org/10.18452/17044.
Full textIn this thesis, a novel labeling scheme for solid-state NMR spectroscopy, the Reduced Adjoining Protonation (RAP) scheme, is introduced, which allows proton detection of all aliphatic sites, as shown for the microcrystalline SH3 domain of alpha-spectrin. These samples yield high-resolution, 1H-detected 1H,13C correlation spectra. In addition, the benefit of high MAS frequencies was investigated. 1H- and 13C-detected 3D assignment experiments are implemented, which allowed us to assign 90% of all aliphatic resonances of alpha-spectrin SH3. As the chemical shift is dependent on the structural motif, it can be employed to derive secondary structure information. Furthermore, a 1H-detected H(H)CH 3D experiment is introduced, to obtain long-range 1H,1H contacts, which can be used for the determination of the tertiary structure. To obtain artifact-free relaxation data, the RAP labeling scheme was modified to obtain sparsely proton labeled, 13C dilute samples, in which spin diffusion is suppressed. To probe sub-microsecond dynamics, we report experiments to determine 13C T1 relaxation times and 1H,13C dipolar coupling tensors for backbone and side chain resonances, respectively. Furthermore, we show, that the RAP labeling scheme can be applied to non-crystalline systems, such as amyloid fibrils of the Alzheimer’s disease peptide Abeta1-40. Using 1H-detection, we obtained high-resolution 1H,13C correlation spectra. Finally, we applied the perdeuteration approach to the L7Ae-box C/D protein-RNA complex from P. furiosus. We obtained high-resolution, 1H-detected 1H,15N, as well as 13C,13C correlation spectra of the protein-RNA complex. In addition, we established a methodology to determine accurate distance and angular restraints for the protein-RNA interface and propose approaches for the chemical shift assignment of RNA resonances.
Michaud-Rioux, Vincent. "Real space DFT by locally optimal block preconditioned conjugate gradient method." Thesis, McGill University, 2012. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=110628.
Full textEn physique de la matière condensée, les calculs numériques sont souvent nécessaires pour parvenir à comprendre les phénomènes microscopiques observés lors d'expériences ou à prédire quantitativement des propriétés physiques. En pratique, les systèmes d'échelle atomique sont irréguliers (rugosité de surface) ou comportent des défauts (atomes de substitution ou lacunes), ce qui induit des effets trop sévères pour être ignorés ou traités comme des perturbations. Dans cette thèse, nous présentons une méthode qui permet d'étudier des systèmes d'échelle atomique à partir des lois fondamentales de la physique. Notre logiciel, nommé MatRcal, qui signifie "Matlab-based real space calculator", est développé dans le langage Matlab. La physique est décrite par la théorie de la fonctionnelle de la densité. La méthode projette l'Hamiltonien de Kohn-Sham sur un maillage Cartésien uniforme. Le calcul des différences finies est utilisé pour discrétiser l'opérateur Laplacien. Le potentiel dû aux noyaux atomiques est approximé par des pseudopotentiels non-empiriques. Les pseudopotentiels sont générés en suivant la procédure proposée par Troullier et Martins. Nous utilisons la forme séparable introduite par Kleinman et Bylander. Nous soutenons que la méthode est plus simple et pourtant présente de nombreux avantages par rapport aux conventionnelles méthodes spectrales. Nous introduisons plusieurs techniques mathématiques pertinentes à notre étude et certains détails d'implémentation. Entre autres, nous présentons et comparons plusieurs algorithmes de calcul de vecteurs propres utilisés pour diagonaliser l'Hamiltonien de Kohn-Sham. Nous validons notre méthode en comparant la largeur de bande interdite "HOMO-LUMO" de nombreuses molécules organiques et inorganiques prédites par notre méthode avec celles prédites par le logiciel commercial Gaussian. Notre méthode permet des gains en rapidité et en parallélisme, mais la possibilité de traiter des conditions limites non-périodiques sera le principal atout pour de futures simulations de dispositifs nanoélectroniques.
Huq, Syed Ejazul. "Thin film deposition by the ionized cluster beam method." Thesis, University of Cambridge, 1988. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.304288.
Full textSilver, Mark. "Application of the pseudopotential method to the theory of semiconductors." Thesis, University of Surrey, 1991. http://epubs.surrey.ac.uk/2988/.
Full textEl-Badawy, Z. I. "Organic films deposited by the Langmuir-Blodgett method and by adsorption." Thesis, Lancaster University, 1986. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.374634.
Full textAnderez, Dora M. Gomez. "A study of the synchrotron Laue method for quantitative crystal structure analysis." Thesis, University of York, 1990. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.238717.
Full textWilliams, Joshua R. "Fundamental investigations of skutterudite phase formation by the modulated elemental reactant method /." view abstract or download file of text, 2002. http://wwwlib.umi.com/cr/uoregon/fullcit?p3055721.
Full textTypescript. Includes vita and abstract. Includes bibliographical references (leaves 124-128). Also available for download via the World Wide Web; free to University of Oregon users.
Yamada, Takashi. "Basic properties of Dual Reciprocity Boundary Element Method and applications to magnetic field analysis." Thesis, University of Portsmouth, 1994. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.240420.
Full textRandhawa, Banljinder Singh. "Electromagnetic modelling of curved structures using a hybrid finite-volume finite-difference time-domain method." Thesis, University of York, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.362043.
Full textGrainger, David S. "The application of the maximum entropy method to one- and two-dimensional nuclear magnetic resonance spectroscopy." Thesis, University of Oxford, 1991. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.291092.
Full textWellington, Joseph Paul William. "Applications of the periodic electrostatic embedded cluster method to solid state actinide chemistry." Thesis, University College London (University of London), 2017. http://discovery.ucl.ac.uk/1571738/.
Full textPang, King-Hung Geoffrey. "Absolute measurement of the lattice parameter of perfect diamonds of known nitrogen content by the divergent beam (Kossel) X-ray method." Thesis, University of Bristol, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.319399.
Full textChen, Rung-Sheng. "The bend and polish method of aspheric surface manufacture : an investigation into optical design for this process and into the process itself." Thesis, Imperial College London, 2001. http://hdl.handle.net/10044/1/8158.
Full textAsami, Sam [Verfasser], Bernd [Akademischer Betreuer] Reif, Andreas [Akademischer Betreuer] Möglich, and Hartmut [Akademischer Betreuer] Oschkinat. "Method development for biomolecular solid-state NMR spectroscopy : accessing structure and dynamics of biomolecules in the solid-state / Sam Asami. Gutachter: Bernd Reif ; Andreas Möglich ; Hartmut Oschkinat." Berlin : Humboldt Universität zu Berlin, Mathematisch-Naturwissenschaftliche Fakultät I, 2014. http://d-nb.info/1060425262/34.
Full textAsami, Sam [Verfasser], Bernd Akademischer Betreuer] Reif, Andreas [Akademischer Betreuer] Möglich, and Hartmut [Akademischer Betreuer] [Oschkinat. "Method development for biomolecular solid-state NMR spectroscopy : accessing structure and dynamics of biomolecules in the solid-state / Sam Asami. Gutachter: Bernd Reif ; Andreas Möglich ; Hartmut Oschkinat." Berlin : Humboldt Universität zu Berlin, Mathematisch-Naturwissenschaftliche Fakultät I, 2014. http://nbn-resolving.de/urn:nbn:de:kobv:11-100220957.
Full textBennett, Patrick M. "Solid State Fermentation in a Spouted Bed Reactor and Modelling Thereof." The Ohio State University, 2013. http://rave.ohiolink.edu/etdc/view?acc_num=osu1384774243.
Full textBorghi, Giovanni. "Gutzwiller approximation applied to inhomogeneous lattice models and solid-state systems." Doctoral thesis, SISSA, 2011. http://hdl.handle.net/20.500.11767/4290.
Full textSANTOS, IVANILDO A. dos. "Estudo das soluções sólidas de LiGdsub(1-x)Lusub(x)Fsub(4) visando o crescimento de cristais." reponame:Repositório Institucional do IPEN, 2008. http://repositorio.ipen.br:8080/xmlui/handle/123456789/11656.
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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
Dissertação (Mestrado)
IPEN/D
Instituto de Pesquisas Energéticas e Nucleares - IPEN/CNEN-SP
FAPESP:05/57580-2
So, Biu 1959. "THE METHODOLOGY AND IMPLEMENTATION OF RELAXATION METHOD TO INVESTIGATE ELECTRO-THERMAL INTERACTIONS IN SOLID-STATE INTEGRATED CIRCUITS." Thesis, The University of Arizona, 1987. http://hdl.handle.net/10150/276384.
Full textLechner, Ruep Ekkehard, Goetz Schuck, and Klaus Langer. "Mechanism of proton conduction in solid-state protonic conductors: method and results from investigations by QENS techniques." Diffusion fundamentals 12 (2010) 3, 2010. https://ul.qucosa.de/id/qucosa%3A13865.
Full textBiswal, Mamata. "Determination and first principles calculations, using the PAW/GIPAW method, of NMR parameters in inorganic fluorides." Phd thesis, Université du Maine, 2013. http://tel.archives-ouvertes.fr/tel-01015856.
Full textEsters, Marco. "Experimental and Computational Investigations of Kinetically Stable Selenides Synthesized by the Modulated Elemental Reactants Method." Thesis, University of Oregon, 2018. http://hdl.handle.net/1794/23175.
Full textFERRARI, MARCO A. "Laser de Nd:YLF para aplicacoes em lidas." reponame:Repositório Institucional do IPEN, 2008. http://repositorio.ipen.br:8080/xmlui/handle/123456789/11745.
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Dissertação (Mestrado)
IPEN/D
Instituto de Pesquisas Energeticas e Nucleares - IPEN-CNEN/SP
Nomura, Kaoru. "Development of a Selective Homonuclear Dipolar Recoupling Method in Magic-Angle Spinning Solid-State NMR and Its Application to the Structural Analysis of a Molicule." 京都大学 (Kyoto University), 1999. http://hdl.handle.net/2433/181980.
Full textJunior, Nelson Alves. "Efeitos da desordem do campo cristalino sobre as fases moduladas de um modelo magnético." Universidade de São Paulo, 2001. http://www.teses.usp.br/teses/disponiveis/43/43134/tde-09122013-094058/.
Full textIn this thesis we present a mean-field study of the effects of the disorder of the single-ion anisotropy on the phase diagrams of the spin-l ANNNI model. Previous mean-field results for the model with constant single-ion anisotropy showed partially disordered phases in the phase diagrams of the model. H owever , the existence of such phases cannot be taken as granted, due to the fiuctuations not taken into account in the mean-field approximation. Thus, we studied the model with constant single-ion anisotropy by means of Monte Carlo simulations. Qur aim was to give credit to previous mean-field results and to get more confidence in the mean-field results showed in this thesis obtained for a random single-ion anisotropy. The results obtained from the simulations showed evidences that the configuration of the commensurate phase with period 6 displaying disordered planes, found at low temperatures, may undergo an internaI phase transition to a phase in which such planes are absent. This result is in agreement with previous mean-field studies. For a random single-ion anisotropy, we investigated the phase diagrams of the model within mean-field approximation. For a generic probability distribution of the anisotropy, we obtained the free-energy functional and the mean-field equations, as well as the expressions for the criticallines and tricritical points of the model. In order to investigate disorder effects, we obtained phase diagrams of the model by considering a double-delta and a Gaussian probability distribution of the single-ion anisotropy.
Elbagerma, Mohamed A. "Analytical method development for structural studies of pharmaceutical and related materials in solution and solid state : an investigation of the solid forms and mechanisms of formation of cocrystal systems using vibrational spectroscopic and X-ray diffraction techniques." Thesis, University of Bradford, 2010. http://hdl.handle.net/10454/4467.
Full textSalas-Illanes, Nora. "Electronic Structure of Selected Materials by Means of the QSGW Method within the LAPW+LO Framework." Doctoral thesis, Humboldt-Universität zu Berlin, 2019. http://dx.doi.org/10.18452/19804.
Full textMaterials shape the modern world: they appear everywhere in our daily life. We investigate what governs the material's properties, in order to tailor them to meet our needs. Properties, e.g., bandgaps, and electronic density distribution are determined by the electronic structure. Most predictions on materials follow from computational physics, in particular density-functional theory (DFT). This scheme returns ground-state properties, but it fails to provide excited-state energies. To find the latter, we have to recourse to a higher degree of theory, namely many-body perturbation theory (MBPT). Within MBPT, the most popular framework is the GW approximation (GWA) which describes electrons as quasiparticles (QP). The difference in energy between a non-interacting particle and a QP is called the self-energy. In GWA, the product of the Green function G and W, the screened Coulomb interaction, returns the self-energy. GWA is in principle self-consistent, but is mostly implemented as a perturbative correction to DFT results, known as G0W0. Unfortunately, the electronic structure given by G0W0 depends on the initial DFT results. This PhD project consists in the implementation of the self-consistent quasiparticle GW (QSGW) in the exciting code. This software package uses the all-electron linearized augmented planewave (LAPW) method, treating every electron on equal footing. Starting from DFT, the QSGW method (based in the GWA) optimizes the one-particle Hamiltonian through a self-consistent search for an optimized exchange-correlation potential. At the end of the iterative process, the QSGW method provides eigenfunctions and eigenvalues of the QPs. Considering nine crystalline solids, we present their electronic structure by means of QSGW. We present the bandstructures and density of state diagrams, comparing QSGW results to DFT and G0W0 results. In addition, we study the electronic charge density and wavefunction in selected materials.
Bos, Cornelis [Verfasser]. "Atomistic simulation of interface controlled solid-state phase transformations : development and application of a multi-lattice kinetic Monte Carlo method / Institut für Metallkunde der Universität Stuttgartt ... Vorgelegt von Cornelis Bos." Stuttgart : Max-Planck-Inst. für Metallforschung, 2006. http://d-nb.info/979722705/34.
Full textBeyer, Frank R. "Hauptspannungstrajektorien in der numerischen Festkörpermechanik." Doctoral thesis, Saechsische Landesbibliothek- Staats- und Universitaetsbibliothek Dresden, 2015. http://nbn-resolving.de/urn:nbn:de:bsz:14-qucosa-178497.
Full textThere are several kinds of visualisation for the illustration of the results of mechanical investigations of structural elements’ load bearing behaviour. The illustration of the stress state via principal stress trajectories, mainly principal normal stress trajectories, is one of them. In the field of civil engineering, trajectory plots are still of notable interest, particularly in solid construction. Thus, the truss models as part of the European engineering standards for steel-reinforced concrete are primarily developed using principal stress trajectories. For this reason, trajectory plots are not only part of the academic subjects taught at university, but they are also used in scientific publications for the illustration of complex stress states. Unfortunately, fundamental misrepresentations are not rare in the relevant literature and scientific works. This work provides a suitable algorithm for accurate trajectory plots based on numerically computed stress solutions (e.g. using the finite element method). By means of systematic investigations of several structural element’s geometries and loading situations, a number of prevalent misinterpretations was identified. The analogy often assumed between stress trajectories and streamlines of fluid flow in terms of “load flow” has been disproved. A property of traditional trajectory plots is not able to indicate the level of stress. Thus, in areas of narrowing trajectories stress concentrations are often assumed. By means of examples this assumption was clearly disproved. To prevent the appearance of such misimpressions, the stress levels are represented using a colour scale known from contour plots. An adaptive incrementation during path tracing allows a significant increase of accuracy compared with uniform incrementation. Suitable stop criteria ensure reliable detection of outer and inner borders as well as closing of trajectories. One important aspect is the appearance of singularities like isotropic points, isotropic borders and isotropic areas, where the principal stress directions in terms of eigenvectors are not unique. Non-observance is one of the main causes of misrepresentations of trajectory plots in literature. The effects due to the appearance of isotropic points and the arising problems for calculation and interpretation of stress trajectories were systematically analysed, and proposals for a solution were made. Up to now, the usage of trajectory plots was limited to two-dimensional problems. The potential of stress trajectories for the visualisation of three-dimensional stress states was still unexplored. Therefore, the algorithm for the calculation of stress trajectories was augmented in three dimensions. Some parts of the two-dimensional algorithm like adaptive incrementation could be directly translated simply considering the third coordinate, whereas the necessary modifications of some parts turned out to be non-trivial. The stress trajectories of three-dimensional stress states prove to be space curves. An essential finding from the calculated three-dimensional trajectory plots was, that three-dimensional trajectories – compared to two-dimensional trajectories – generally do not intersect each other. According to this, three-dimensional trajectories generally do not build meshes. The interpretable display of three-dimensional trajectories is still a difficulty. In this work, the applicability of some methods has been tested and assessed. To enable a large group of users to create stress trajectory plots individually, easily operated software solutions with a graphical user interface should be developed. For this purpose, the developed algorithm for tracing trajectories is described in every detail. In the field of three-dimensional stress trajectories need of further research came to light, which is specified in the corresponding parts of this work. In addition, the developed algorithm allows also the calculation of stress trajectories of geometrical and material non-linear as well as dynamic and other problems, if only the stress state is available. Furthermore, the algorithm can be applied for the calculation of principal shear stress trajectories and principal moment trajectories
Bennett, David Alexander. "Structural methods in solid-state NMR." Thesis, University of Nottingham, 2013. http://eprints.nottingham.ac.uk/13242/.
Full textArzakantsyan, Mikayel. "Yb:YAG Laser Crystals with Controlled Doping Distribution." Phd thesis, Ecole Polytechnique X, 2013. http://pastel.archives-ouvertes.fr/pastel-00879616.
Full textGolub, Pavlo. "Chemical bonding analysis of complex solids in real space from the projector augmented-wave method." Doctoral thesis, Saechsische Landesbibliothek- Staats- und Universitaetsbibliothek Dresden, 2017. http://nbn-resolving.de/urn:nbn:de:bsz:14-qucosa-227653.
Full textOhaňka, Zdeněk. "Vliv velikosti částic a způsobu přípravy na hydrataci vápenato-hlinitých fází." Master's thesis, Vysoké učení technické v Brně. Fakulta chemická, 2018. http://www.nusl.cz/ntk/nusl-376802.
Full textSaalwächter, Kay. "Heteronuclear recoupling methods in solid state NMR." [S.l. : s.n.], 2000. http://ArchiMeD.uni-mainz.de/pub/2000/0070/diss.pdf.
Full textFreitas, Vânia Patrícia Castro Teixeira. "Organic-inorganic hybrids for green photonics." Doctoral thesis, Universidade de Aveiro, 2016. http://hdl.handle.net/10773/17325.
Full textThe presente work aims to synthesize new bridge silsesquioxanes organic-inorganic hybrid materials, and characterize the local structure and photoluminescence properties overlooking potential applications in the area of green photonics, namely, in solid-state lighting and luminescent solar concentrators. In this context, three distinct families of materials based on six precursors which differ in their structural organization were synthesized, i.e. precursors with structure: 1) linear where the organic component is based on malonamide group, P2-m and P4-m; 2) linear which has been added an aromatic ring whose organic part is based on amide and/or thioamida, P(UU), P(UT) and P(TT) and 3) branched which the organic component is based on amide group, t-UPTES (5000). Two organic-inorganic hybrids (M2-m e M4-m) which results from hydrolysis and condensation of the precursors P2-m e P4-m were synthetized. The role of the presence of one or two malonamide groups was studied in terms of local structure and photoluminescence properties. Three organic-inorganic hybrids H(UU), H(UT) and H(TT) based on P(UU), P(UT) and P(TT) were synthesized and structurally characterized aiming to study the role of the hydrogen bond in the self-assembling of these materials. The presence of different types of hydrogen bonds (bifurcated, linear and cyclic) induces different conformations which affect the physical properties (mechanical and optical) of the materials. Hybrids based on t-UPTES(5000) precursor were synthesized based on different synthesis strategies. Changing the concentration of HCl and water content as well as the synthesis in a controlled environment allowed the improvement of the optical properties of this system, in particular, the absolute emission quantum yield and the absorption coefficient. In addition, it were studied the recombination mechanisms responsible for the emission through the comparison between the corresponding photoluminescence properties of the organic and inorganic models. Finally, due to the structural simplicity of the precursors P2-m and P4-m, these were doped with Eu3+. The local structure of the corresponding hybrids shows local coordination between the ion and the host. Efficient materials concerning the absolute emission quantum yield values motivated the development of luminescent solar concentrators with a maximum absolute emission quantum yield of 0.600.06 and optical conversion efficiency in the absorption spectral region (300-380 nm) of 12.3%.
O presente trabalho propõe sintetizar novos materiais híbridos orgânicos-inorgânicos do tipo silsesquioxanos em ponte e caracterizar a sua estrutura e propriedades de fotoluminescência com vista a potenciais aplicações na área da fotónica sustentável, nomeadamente, iluminação de estado sólido e concentradores solares luminescentes. Neste âmbito, foram sintetizadas três famílias distintas de materiais baseados em seis precursores que diferem na sua organização estrutural, ou seja, precursores com estrutura: 1) linear onde a componente orgânica é baseada no grupo malonamida, P2-m e P4-m; 2) linear onde foi adicionado um anel aromático cuja componente orgânica é baseada em amida e/ou thioamida, P(UU), P(UT) e P(TT), e 3) tri-ramificada onde a componente orgânica é baseada no grupo amida, t-UPTES(5000). Dois híbridos orgânicos-inorgânicos (M2-m e M4-m) que resultam da hidrólise e condensação dos precursores P2-m e P4-m foram sintetizados. O papel da presença de um ou dois grupos malonamida foi estudado em termos de estrutura local e propriedades de fotoluminescência. Três híbridos orgânicos-inorganicos, H(UU), H(UT) e H(TT), baseados, respetivamente, em P(UU), P(UT) e P(TT), foram sintetizados e caracterizados estruturalmente com o objetivo de estudar o papel das ligações de hidrogénio na auto-organização destes materiais. A presença de diferentes tipos de ligações de hidrogénio (bifurcada, linear e cíclica) induz diferentes tipos de configurações que têm influência nas propriedades físicas (mecânicas e óticas) dos materiais. Híbridos baseados no precursor t-UPTES(5000) foram sintetizados tendo em conta diferentes estratégias de síntese. A variação da concentração de HCl e quantidade de água bem como a síntese em ambiente controlado permitiram melhorar as propriedades óticas deste sistema nomeadamente, o rendimento quântico absoluto e o coeficiente de absorção. Foram também discutidos, os mecanismos de recombinação responsáveis pela emissão através da comparação das propriedades de fotoluminescência observadas nos correspondentes modelos orgânicos e inorgânicos. Finalmente, devido à simplicidade estrutural os precursores P2-m e P4-m, estes foram dopados com Eu3+. A estrutura local dos correspondentes híbridos mostra coordenação local entre o ião e a matriz. Materiais eficientes do ponto de vista de rendimento quântico absoluto motivaram o desenvolvimento de concentradores solares luminescentes que apresentam rendimento quântico absoluto máximo de 0.600.06 e eficiência ótica de conversão na região espetral de absorção (300-380 nm) de 12.3 %.
Ball, Thomas James. "Development of new methods in solid-state NMR." Thesis, University of Glasgow, 2008. http://theses.gla.ac.uk/385/.
Full textHaies, Ibraheem. "New methods for nitrogen-14 solid state NMR." Thesis, University of Southampton, 2015. https://eprints.soton.ac.uk/382902/.
Full textAsp, Grönhagen Klara. "Phase-field modeling of surface-energy driven processes." Doctoral thesis, KTH, Metallografi, 2009. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-11036.
Full textQC 20100622
Senanayake, Nishan M. "Exploring Heusler Alloys as Catalysts for Ammonia Dissociation." Bowling Green State University / OhioLINK, 2016. http://rave.ohiolink.edu/etdc/view?acc_num=bgsu1467314800.
Full textIbbett, D. A. "A developmental system for solid state NMR imaging." Thesis, University of Kent, 1988. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.380989.
Full textBoland, Martin Peter. "Evaluation of solid-state NMR methods for drug discovery." Thesis, University of Manchester, 2005. https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.549037.
Full textRalph, Adam Charles. "Physical and direct methods in crystallography." Thesis, University of York, 1991. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.304487.
Full textAvadhut, Yamini. "Quantitative solid state nuclear magnetic resonance methods for inorganic materials." Diss., lmu, 2012. http://nbn-resolving.de/urn:nbn:de:bvb:19-153598.
Full textPéraud, Jean-Philippe M. (Jean-Philippe Michel). "Efficient multiscale methods for micro/nanoscale solid state heat transfer." Thesis, Massachusetts Institute of Technology, 2015. http://hdl.handle.net/1721.1/101537.
Full textCataloged from PDF version of thesis.
Includes bibliographical references (pages 193-199).
In this thesis, we develop methods for solving the linearized Boltzmann transport equation (BTE) in the relaxation-time approximation for describing small-scale solidstate heat transfer. We first discuss a Monte Carlo (MC) solution method that builds upon the deviational energy-based Monte Carlo method presented in [J.-P. Péraud and N.G. Hadjiconstantinou, Physical Review B, 84(20), p. 205331, 2011]. By linearizing the deviational Boltzmann equation we formulate a kinetic-type algorithm in which each computational particle is treated independently; this feature is shown to be consequence of the energy-based formulation and the linearity of the governing equation and results in an "event-driven" algorithm that requires no time discretization. In addition to a much simpler and more accurate algorithm (no time discretization error), this formulation leads to considerable speedup and memory savings, as well as the ability to efficiently treat materials with wide ranges of phonon relaxation times, such as silicon. A second, complementary, simulation method developed in this thesis is based on the adjoint formulation of the linearized BTE, also derived here. The adjoint formulation describes the dynamics of phonons travelling backward in time, that is, being emitted from the "detectors" and detected by the "sources" of the original problem. By switching the detector with the source in cases where the former is small, that is when high accuracy is needed in small regions of phase-space, the adjoint formulation provides significant computational savings and in some cases makes previously intractable problems possible. We also develop an asymptotic theory for solving the BTE at small Knudsen numbers, namely at scales where Monte Carlo methods or other existing computational methods become inefficient. The asymptotic approach, which is based on a Hilbert expansion of the distribution function, shows that the macroscopic equation governing heat transport for non-zero but small Knudsen numbers is the heat equation, albeit supplemented with jump-type boundary conditions. Specifically, we show that the traditional no-jump boundary condition is only applicable in the macroscopic limit where the Knudsen number approaches zero. Kinetic effects, always present at the boundaries, become increasingly important as the Knudsen number increases, and manifest themselves in the form of temperature jumps that enter as boundary conditions to the heat equation, as well as local corrections in the form of kinetic boundary layers that need to be superposed to the heat equation solution. We present techniques for efficiently calculating the associated jump coefficients and boundary layers for different material models when analytical results are not available. All results are validated using deviational Monte Carlo methods primarily developed in this thesis. We finally demonstrate that the asymptotic solution method developed here can be used for calculating the Kapitza conductance (and temperature jump) associated with the interface between materials.
by Jean-Philippe Péraud.
Ph. D.
Cai, Yu-Sin, and 蔡育欣. "Preparation of ZnS phosphor by solid-state sintering method." Thesis, 2012. http://ndltd.ncl.edu.tw/handle/2e72uq.
Full text國立東華大學
材料科學與工程學系
100
In this study, zinc sulfide (ZnS) phosphors powders are prepared by solid-state sintering method. The effects of sintering temperature, dopant, and selection of flux on the luminescence properties are investigated. X-ray diffraction (XRD), photoluminescence spectrometer (PL), field-emission scanning electron microscopy (FE-SEM), and energy dispersive x-ray spectroscopy (EDS) are used to investigate the crystal structure, luminescence properties, and powder structures identified. ZnS is Ⅱ-Ⅵ group semiconductor material, generally used in phosphors powder, also applied in electroluminescence devices and light-emitting diode. ZnS have good luminous properties and is a candidate material for phosphors that emit visible light. The ZnS thin is sintered under the temperature of 600 ℃~900 ℃ in the nitrogen atmosphere and blue-green light (523 nm) is achieved for the films. Orange-yellow light (585 nm) is achieved for ZnS films doped with manganese.Experimental results reveal both manganese dopant and fluxing NaCl can enhance the luminous intensity of the ZnS powder.
TU, CHIH-CHENG, and 塗智丞. "Preparation of Zn2SiO4:Mn Phosphors by Solid State Method." Thesis, 2019. http://ndltd.ncl.edu.tw/handle/egh4y7.
Full text國立高雄科技大學
微電子工程系
107
In this study, the preparation of inorganic phosphor powder was carried out by solid-state method using zinc oxide (ZnO) and silicon dioxide (SiO2) as raw materials. The raw materials of ZnO : SiO2 ((2~1):1) were mixed with the activator MnO2 and then they were sintered. The properties of the samples were analyzed by XRD, PL and SEM. The effect of activator content on fluorescence characteristics was investigated. XRD analysis showed that the sintering temperature must be at least 1100 °C to obtain zinc silicate ( α- Zn2SiO4 )structure. At the same time, residual zinc oxide is also found in the synthesized materials. To improve the problem of zinc oxide residue, the mixed rate of ZnO to SiO2 was reduced from 2:1 to 1:1. The obtained Zn2SiO4:Mn2+phosphor shows green light fluorescent luminescence(FL) at the wavelength of about 526 nm under 280 nm UV excitation. The sample doped with 0.2 mol Mn2+ shows the strongest FL. The Mn2+ FL emission corresponds to the transition of the electrons from the 4T1 excited-state to the 6A1 ground-state. Furthermore, the raw material ratio of ZnO to SiO2 is found to have great influence on FL emission. As the ratio of ZnO to SiO2 is reduced to 1:1, the sample has the best FL emission.
Tsai, C.-H., and 蔡正雄. "Photoluminescence of Sr2MgSi2O7¬:Eu3+ Phosphor Prepared by Solid State Reaction Method." Thesis, 2011. http://ndltd.ncl.edu.tw/handle/nc59q7.
Full text國立臺北科技大學
材料科學與工程研究所
99
The study used the solid state reaction to prepare the Sr2MgSi2O7:Eu3+ Phosphor .We found the optimal parameters to synthesize the Host, Sr2MgSi2O7 ,by different calcined temperature、holding time、different H3BO3 c Concentration .We probe the influence of luminescence characteristic on Sr2MgSi2O7:Eu3+ phosphors by different doping concentration of Eu The result shows the sharp emission peak at 613nm that attributed to the typical f→f transition of Eu3+, whereas the emission peaks﹕578nm、589nm、613nm、652nm、702nm are attributed to the Eu3+ 5D0→7FJ=0 to 4 at the excitation 395nm. The luminous intensity increased as raising the concentration of activator, and the maximum luminous intensity was observed with Eu 6mole%、H3BO3 5wt% ,and fired at 1350°C for 4hours.
HUNG, CHIEN-YU, and 洪阡郁. "Development of a new solid state culture method for Antrodia cinnamomea." Thesis, 2019. http://ndltd.ncl.edu.tw/handle/9tq25u.
Full text銘傳大學
生物科技學系碩士班
107
Many experiments are studying changing medium components and culture methods to promote the growth of mycelium of Antrodia cinnamomea and enhance the efficacy of mycelium. In this study, the effects of addition of Cinnamomum kanehirae Hayata wood meal, soybean flour and farina tritici on the growth and metabolite production were tested in the experiment. In addition, dsign incubators with different angles to cultivate Antrodia cinnamomea and observe the growth of mycelium and mtabolite production. In the above experiment, it can observed that the addition of a few amount of wood meal and farina tritici can promote the growth of mycelium. And the addition of a few amount of wood meal, soybean flour and farina tritici could enhance the antioxidation ability. Adenosine content is not enhance by the additives. In the experiment of self-made incubator, it was found that when the angel was 60∘, the growth diameter of mycelium is largest and increase adenosine content. However, the effect of different angles of placement on the improvement of antioxidation ability varies depending on the species.
Lee, You-Wei, and 李祐瑋. "Preparation of Lithium Aluminosilicate Nanopaticles by Solid-State Method and Purification." Thesis, 2014. http://ndltd.ncl.edu.tw/handle/10915919587874373200.
Full text明志科技大學
化學工程系碩士班
102
Abstract This researches are primarily exploring preparation of Lithium Aluminosilicate nanoparticles and purification through the Size Exclusion Chromatography of HPLC (HPLC-SEC). The study is constitutes with two main parts. (1) Generally accessible SiO2 will be used to examine whether or not the application of HPLC-SEC by inorganic nanoparticles grading. While exploring appropriateness of detectors, the result of the experiment demonstrates that intensity of UV detector will vary directly proportional to SiO2, which reveals that there is a relationship between SiO2 and HPLC of detectors; extract in red polarity effect, the methanol content of 0% would be the best condition; from the HPLC-SEC application to SiO2 particle size classification, the fact that inorganic nanoparticles can be used to perform HPLC-SEC is proved. (2) Using the solid state reaction method to preparation LAS powder will result in problems such as agglomeration and particle coarsening. To cope with the phenomenon, particle coarsening, the use of nano-bead mill may be required to make appropriate reduction in the diameter of particle. In terms of the impurities, pollution, HPLC-SEC should be the solution to it. The outcome of the experiment shows that speed of 2500 rpm and a bead mill bead mill time 4h are the best conditions. The addition of CTAB dispersant LAS can better stabilize nano particles; using 0.3mm zirconia ball, bead mill reduce the diameter to approximately 70nm can meet the appropriate size of condition to perform HPLC-SEC Finally, The bead mill was contaminated LAS powder were isolated and purified through HPLC-SEC HPLC-SEC analysis appears in Figure elution peak elution time 8.2min and 14.3min, with a resolution of 2.03. To EDS composition analysis, proving HPLC-SEC can LAS roughly separation and purification of nanoparticles.