Dissertations / Theses on the topic 'KKR Green's function method'
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Thieß, Alexander R. [Verfasser]. "Development and application of a massively parallel KKR Green function method for large scale systems / Alexander Reinhold Thieß." Aachen : Hochschulbibliothek der Rheinisch-Westfälischen Technischen Hochschule Aachen, 2012. http://d-nb.info/1020255145/34.
Full textZahn, Peter. "Screened Korringa-Kohn-Rostoker-Methode für Vielfachschichten." Doctoral thesis, Saechsische Landesbibliothek- Staats- und Universitaetsbibliothek Dresden, 2005. http://nbn-resolving.de/urn:nbn:de:swb:14-1119864864984-42479.
Full textA newly developed ab initio tight-binding-formulation of the Korringa-Kohn-Rostoker-Green's function method for layered systems is presented. Screened structure constants are calculated by means of a repulsive reference system. Advantages and limits of this transformation of the formalism are discussed in detail. The numerical effort for self consistent electronic structure calculations of systems with a large prolonged supercell scales linearly with the system size. Systems with up to 500 atoms per unit cell can be treated easily. The accuracy of the new method is of the same order as the traditional KKR method. Applications to electronic structure calculations and magnetic interlayer exchange coupling in Co/Cu(100) multilayers are presented
Zahn, Peter. "Screened Korringa-Kohn-Rostoker-Methode für Vielfachschichten." Doctoral thesis, Technische Universität Dresden, 1998. https://tud.qucosa.de/id/qucosa%3A24521.
Full textA newly developed ab initio tight-binding-formulation of the Korringa-Kohn-Rostoker-Green's function method for layered systems is presented. Screened structure constants are calculated by means of a repulsive reference system. Advantages and limits of this transformation of the formalism are discussed in detail. The numerical effort for self consistent electronic structure calculations of systems with a large prolonged supercell scales linearly with the system size. Systems with up to 500 atoms per unit cell can be treated easily. The accuracy of the new method is of the same order as the traditional KKR method. Applications to electronic structure calculations and magnetic interlayer exchange coupling in Co/Cu(100) multilayers are presented.
Yeo, Stephen K. N. "Generalised periodic Green's function analysis of microstrip dipole arrays /." Title page, contents and abstract only, 1996. http://web4.library.adelaide.edu.au/theses/09PH/09phy46.pdf.
Full textda, Costa Filho Carlos Alberto. "Elastodynamic Green's function retrieval : theory and applications in exploration geophysics." Thesis, University of Edinburgh, 2017. http://hdl.handle.net/1842/28760.
Full textFooladi, Samaneh, and Samaneh Fooladi. "Numerical Implementation of Elastodynamic Green's Function for Anisotropic Media." Thesis, The University of Arizona, 2016. http://hdl.handle.net/10150/623144.
Full textChen, Shuguang, and 陈曙光. "Nonequilibrium Green's function-hierarchical equation of motion method for time-dependent quantum transport." Thesis, The University of Hong Kong (Pokfulam, Hong Kong), 2014. http://hdl.handle.net/10722/206344.
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Chemistry
Doctoral
Doctor of Philosophy
Yasuda, Koji, and Daisuke Yamaki. "The extension of the fragment molecular orbital method with the many-particle Green's function." American Institute of Physics, 2006. http://hdl.handle.net/2237/8739.
Full textMa, Weili. "Discrete Green's function formulation of the finite difference time domain method and its application." Thesis, Queen Mary, University of London, 2004. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.408009.
Full textDelaney, J. A. Christopher. "Local density of states for one dimensional aperiodic binary sequences using local green's function method." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 1997. http://www.collectionscanada.ca/obj/s4/f2/dsk2/ftp04/mq21087.pdf.
Full textWatrous, Mitchell James. "Finite temperature densities via the Green's-function method with application to electron screening in plasmas /." Thesis, Connect to this title online; UW restricted, 1997. http://hdl.handle.net/1773/9705.
Full textFooladi, Samaneh, and Tribikram Kundu. "Application of distributed point source method (DPSM) to wave propagation in anisotropic media." SPIE-INT SOC OPTICAL ENGINEERING, 2017. http://hdl.handle.net/10150/625391.
Full textGeng, Weihua. "Interface method and Green's function based Poisson Boltzmann equation solver and interface technique based molecular dynamics." Diss., Connect to online resource - MSU authorized users, 2008.
Find full textTang, Wee-Hua. "EFFICIENT INTEGRAL EQUATION METHOD FOR 2.5D MICROWAVE CIRCUITS IN LAYERED MEDIA." UKnowledge, 2005. http://uknowledge.uky.edu/gradschool_diss/345.
Full textZhang, Yan. "Analysis of Elastic and Electrical Fields in Quantum Structures by Novel Green's Functions and Related Boundary Integral Methods." University of Akron / OhioLINK, 2010. http://rave.ohiolink.edu/etdc/view?acc_num=akron1290184113.
Full textLudick, Daniel Jacobus. "Efficient numerical analysis of finite antenna arrays using domain decomposition methods." Thesis, Stellenbosch : Stellenbosch University, 2014. http://hdl.handle.net/10019.1/96124.
Full textENGLISH ABSTRACT: This work considers the efficient numerical analysis of large, aperiodic finite antenna arrays. A Method of Moments (MoM) based domain decomposition technique called the Domain Green's Function Method (DGFM) is formulated to address a wide range of array problems in a memory and runtime efficient manner. The DGFM is a perturbation approach that builds on work initially conducted by Skrivervik and Mosig for disjoint arrays on multi-layered substrates, a detailed review of which will be provided in this thesis. Novel extensions considered for the DGFM are as follows: a formulation on a higher block matrix factorisation level that allows for the treatment of a wider range of applications, and is essentially independent of the elemental basis functions used for the MoM matrix formulation of the problem. As an example of this, both conventional Rao-Wilton-Glisson elements and also hierarchical higher order basis functions were used to model large array structures. Acceleration techniques have been developed for calculating the impedance matrix for large arrays including one based on using the Adaptive Cross Approximation (ACA) algorithm. Accuracy improvements that extend the initial perturbation assumption on which the method is based have also been formulated. Finally, the DGFM is applied to array geometries in complex environments, such as that in the presence of finite ground planes, by using the Numerical Green's Function (NGF) method in the hybrid NGF-DGFM formulation. In addition to the above, the DGFM is combined with the existing domain decomposition method, viz., the Characteristic Basis Function Method (CBFM), to be used for the analysis of very large arrays consisting of sub-array tiles, such as the Low-Frequency Array (LOFAR) for radio astronomy. Finally, interesting numerical applications for the DGFM are presented, in particular their usefulness for the electromagnetic analysis of large, aperiodic sparse arrays. For this part, the accuracy improvements of the DGFM are used to calculate quantities such as embedded element patterns, which is a major extension from its original formulation. The DGFM has been integrated as part of an efficient array analysis tool in the commercial computational electromagnetics software package, FEKO.
AFRIKAANSE OPSOMMING: In hierdie werkstuk word die doeltre ende analise van eindige, aperiodiese antenna samestellings behandel. Eindige gebied benaderings wat op die Moment Metode (MoM) berus, word as vetrekpunt gebruik. `n Tegniek genaamd die Gebied Green's Funksie Metode (GGFM) word voorgestel en is geskik vir die analise van `n verskeidenheid van ontkoppelde samestellings. Die e ektiewe gebruik van rekenaargeheue en looptyd is onderliggend in die implementasie daarvan. Die GGFM is 'n perturbasie metode wat op die oorspronklike werk van Skrivervik en Mosig berus. Laasgenoemde is hoofsaaklik ontwikkel vir die analise van ontkoppelde antenna samestellings op multilaag di elektrikums. `n Deeglike oorsig van voorafgaande word in die tesis verskaf. In hierdie tesis is die bogenoemde werk op `n unieke wyse uitgebrei: `n ho er blok matriks vlak formulering is ontwikkel wat dit moontlik maak vir die analise van `n verskeidenheid strukture en wat onafhanklik is van die onderliggende basis funksies. Beide lae-vlak Rao-Wilton-Glisson (RWG) basis funksies, asook ho er orde hierargiese basis funksies word gebruik vir die modellering van groot antenna samestellings. Die oorspronklike perturbasie aanname is uitgebrei deur akkuraatheidsverbeteringe vir die tegniek voor te stel. Die Aanpasbare Kruis Benaderings (AKB) tegniek is onder andere gebruik om spoed verbeteringe vir die GGFM te bewerkstellig. Die GGFM is verder uitgebrei vir die analise van antenna samestellings in `n komplekse omgewing, bv. `n antenna samestelling bo `n eindige grondplaat. Die Numeriese Green's Funksie (NGF) metode is hiervoor ingespan en die hibriede NGF-GGFM is ontwikkel. Die GGFM is verder met die Karakteristieke Basis Funksie Metode (KBFM) gekombineer. Die analise van groot skikkings wat bestaan uit sub-skikkings, soos die wat tans by die \Low- Frequency Array (LOFAR) " vir radio astronomie in Nederland gebruik word, kan hiermee gedoen word. In die werkstuk word die GGFM ook toegepas op `n reeks interessante numeriese voorbeelde, veral die toepaslike EM analise van groot aperiodiese samestellings. Die akkuraatheidsverbeteringe vir die GGFM maak die berekening van elementpatrone vir skikkings moontlik. Die GGFM is by the sagteware pakket FEKO geintegreer.
Yoerger, Edward J. Jr. "Vertical Acoustic Propagation in the Non-Homogeneous Layered Atmosphere for a Time-Harmonic, Compact Source." ScholarWorks@UNO, 2019. https://scholarworks.uno.edu/td/2709.
Full textBanerjee, Sourav. "Elastic Wave Propagation in Corrugated Wave Guides." Diss., Tucson, Arizona : University of Arizona, 2005. http://etd.library.arizona.edu/etd/GetFileServlet?file=file:///data1/pdf/etd/azu%5Fetd%5F1182%5F1%5Fm.pdf&type=application/pdf.
Full textHan, Feng. "Development of Novel Green’s Functions and Their Applications to Multiphase and Multilayered Structures." University of Akron / OhioLINK, 2006. http://rave.ohiolink.edu/etdc/view?acc_num=akron1147874663.
Full textZhang, Huaijian. "Boundary Integral Techniques in Three Dimensions for Deep Water Waves." The Ohio State University, 2011. http://rave.ohiolink.edu/etdc/view?acc_num=osu1306712208.
Full textTautenhahn, Martin, and Ivan Veselic'. "A note on correlated and non-monotone Anderson models." Universitätsbibliothek Chemnitz, 2008. http://nbn-resolving.de/urn:nbn:de:bsz:ch1-200800063.
Full textYu, Ke. "Multi-resolution Lattice Green's Function Method for High Reynolds Number External Flows." Thesis, 2021. https://thesis.library.caltech.edu/14253/1/Caltech_Thesis_Ke_Yu_final.pdf.
Full textThis work expands the state-of-the-art computational fluid dynamics (CFD) methods for simulating three-dimensional, turbulent, external flows by further developing the immersed boundary (IB) Lattice Green's function (LGF) method. The original IB-LGF method applies an exact far-field boundary condition using fundamental solutions on regular Cartesian grids and allows active computational cells to be restricted to vortical flow regions in an adaptive fashion as the flow evolves. The combination of spatial adaptivity and regular Cartesian structure leads to superior efficiency, scalability, and robustness, but necessitates uniform grid spacing. However, the scale separation associated with thin boundary layers and turbulence at higher Reynolds numbers favors a more flexible distribution of elements/cells, which is achieved in this thesis by developing a multi-resolution LGF approach that permits block-wise grid refinement while maintaining the important properties of the original scheme. We further show that the multi-resolution LGF method can be fruitfully combined with the IB method to simulate external flows around complex geometries at high Reynolds numbers. This novel multi-resolution IB-LGF scheme retains good efficiency, parallel scaling as well as robustness (conservation and stability properties). DNS of bluff and streamlined bodies at Reynolds numbers O(104) are conducted and the new multi-resolution scheme is shown to reduce the total number of computational cells up to 99.87%.
We also extended this method to large-eddy simulation (LES) with the stretched-vortex sub-grid-scale model. In validating the LES implementation, we considered an isolated spherical region of turbulence in free space. The initial condition is spherically windowed, isotropic homogeneous incompressible turbulence. We study the spectrum and statistics of the decaying turbulence and compare the results with decaying isotropic turbulence, including cases representing different low wavenumber behavior of the energy spectrum (i.e. k2 versus k4). At late times the turbulent sphere expands with both mean radius and integral scale showing similar time-wise growth exponents. The low wavenumber behavior has little effect on the inertial scales, and we find that decay rates follow Saffman's predictions in both cases, at least until about 400 initial eddy turnover times. The boundary of the spherical region develops intermittency and features ejections of vortex rings. These are shown to occur at the integral scale of the initial turbulence field and are hypothesized to occur due to a local imbalance of impulse on this scale.
Chen, Ku-Chen, and 陳谷塵. "A Study of Quantum Transport in Narrow-Wired Semiconductor by Using the Green's Function Method." Thesis, 2007. http://ndltd.ncl.edu.tw/handle/29479234237483745399.
Full text國立清華大學
電子工程研究所
96
Green’s Function is used to calculate the conductance in narrow wires which include several types of scatters. The research subjects are narrow wires, so the transport properties of the electrons belong to quantum transport, which is totally different from classic transport. This study discusses about the narrow wires that include: (1) a single scattering center, (2) rectangular potential barrier and (3) random distributed scattering centers. Both repulsive and attractive potentials are considered in each case. The delta function potentials are used for the discrete scattering centers. First, we use the Schrodinger equation to calculate the eigenvalues and eigenfunctions of the confined transverse modes of the narrow wires. Then, we use them to calculate the Green’s function in order to calculate the transmission probability. After that, we use the Landauer formula to calculate conductance. The results display the physical phenomena of quantum transport. The stepwise increases of quantum conductance are found for these wires. For a single attractive defect in the wire, there is a dip in the conductance caused by the existence of the quasi-donor level. For the rectangular barrier in the wire, there are resonances in the conductance which are similar to those of the potential barrier and well in quantum mechanics. For the random positive defects in the wire, there appears fluctuation in the conductance. This phenomenon helps us to understand the quantum interference effects. By changing part of the defects from repulsive to negative, the conductance is modified. There are some dips in the conductance due to the quasi-donor levels. The results are consistent with the work of Bagwell and Kumar [1, 2], who use the Scattering-Matrix to calculate conductance。
Hsu, Su-Haur, and 許書豪. "Study of the Bioheat Transfer by the Method of Green's function for the External Focused Ultrasound Hyperthermia." Thesis, 1997. http://ndltd.ncl.edu.tw/handle/46721572317671643700.
Full text國立臺灣大學
機械工程學系
85
The temperature distribution induced by the focused ultrasound hyperthermia is studied theoretically with the different focused ultrasound transducers and the blood perfusion rates. The three-dimensional transient mathematical model includes both the ultrasound power depositions caused by the spherical focused transducers and the Pennes model to described the heat transfer for the blood perfusion. The tissue is treated as a semi-infinite region in the space. It is assume that the initial temperature of the tissue is 310.15 K, the surface temperature is kept at 310.15 K, and the temperature of the tissue far from the surface approaches 310.15 K. With Green's function, the temperature distribution is represent in a simple interation. Accoding to the calculated result, three different controlling mechanics of the temperature development are identified. The ultrasound power deposition plays an important role in the beginning of time. At the time near the initial time, the variation of the temperature is proportional to the ultrasound power deposition. As the time goes by, the heat conduction shows its effect in the temperature development. It explains why the position with the low ultrasound power deposition may have a growth of the temperature and why the temperature distribution finally becomes smoother. When the time is longer, the blood perfusion becomes domiant. The blood perfusion not only determines when the transient process of the temperature development stops but also affects the asymptotic value of the temperature development. If the blood perfusion is stronger, the transient process will be shorter and the asymptotic value of the temperature will be lower.
Xu, Shu-Hao, and 許書豪. "Study of the Bioheat Transfer by the Method of Green's function for the External Focused Ultrasound Hyperthermia." Thesis, 1997. http://ndltd.ncl.edu.tw/handle/06483700702120936089.
Full textLin, Shih-Yao, and 林士堯. "A Study of Quantum Transport of Narrow Scale n+-n-n+ Devices by Using the Green's Function Method." Thesis, 2008. http://ndltd.ncl.edu.tw/handle/08789953098718264136.
Full textGuha, Amitava 1984. "Development of a Computer Program for Three Dimensional Frequency Domain Analysis of Zero Speed First Order Wave Body Interaction." Thesis, 2012. http://hdl.handle.net/1969.1/148193.
Full textWang, Cynthia Dewi. "The linear wave response of a single and a periodic line-array of floating elastic plates: a thesis presented in partial fulfillment of the requirements for the degree of Doctor of Philosophy in Mathematics at Massey University, Albany, New Zealand." 2004. http://hdl.handle.net/10179/1625.
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