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Thèses sur le sujet « Electron scattering calculations »

Auteur : Grafiati

Publié le 7 juin 2025

Mis à jour le 2 août 2025

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1

Hamilton, J. R. "R-matrix calculations modelling electron-molecule scattering and system dynamics." Thesis, University College London (University of London), 2018. http://discovery.ucl.ac.uk/10041913/.

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This thesis presents several theoretical investigations into electron scattering with complex molecular systems from interstellar and atmospheric systems to systems for application in industrial plasma etching of silicon surfaces. Through these investigations new methods for calculating dissociation branching ratios for several electron scattering processes, viz. electron impact-dissociative ionisation, -neutral dissociation and -dissociative attachment, are developed and tested. This thesis also presents computational schemes for calculation of high energy electron molecule scattering cross s

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2

Huang, Yunfei. "Front-form calculations of exchange currents in elastic electron-deuteron scattering." Diss., University of Iowa, 2008. https://ir.uiowa.edu/etd/217.

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Electron-deuteron scattering is an ideal tool for studying nuclear structure and nuclear forces. The elastic deuteron current matrix elements have been calculated using a Poincaré invariant quantum model with a light-front kinematic symmetry. The impulse approximation violates the Poincarécovariance and current conservation for the interacting system and two-body currents are required to satisfy these constraints. A model two-body current that has a structure motivated by "pair'' currents was constructed in this work. It appears naturally in quantum field theory. The Argonne V18 potential was

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3

Thiagarajan, Kannan. "Tight-binding calculations of electron scattering rates in semiconducting zigzag carbon nanotubes." Licentiate thesis, Mittuniversitetet, Institutionen för informationsteknologi och medier, 2011. http://urn.kb.se/resolve?urn=urn:nbn:se:miun:diva-13162.

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The technological interest in a material depends very much on its electrical, magnetic, optical and/or mechanical properties. In carbon nanotubes the atoms form a cylindrical structure with a diameter of the order 1 nm, but the nanotubes can be up to several hundred micrometers in length. This makes carbon nanotubes a remarkable model for one-dimensional systems. A lot of efforts have been dedicated to manufacturing carbon nanotubes, which is expected to be the material for the next generation of devices. Despite all the attention that carbon nanotubes have received from the scientific communi

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4

Alahmade, Walaa M. "ANALYTICAL AND MONTE CARLO CALCULATIONS FOR ELASTIC ELECTRON-TRITON SCATTERING AT JEFFERSON LABORATORY." Kent State University / OhioLINK, 2015. http://rave.ohiolink.edu/etdc/view?acc_num=kent1429465640.

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5

Ross, William Charles. "Monte Carlo calculations of inner shell ionization profiles and the secondary electron background in electron spectroscopy." Thesis, University of York, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.298446.

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6

SMITH, MARK SCOTT. "THE FORMULATION OF THE STREAMING RAY METHOD FOR ELECTRON TRANSPORT CALCULATIONS IN TWO DIMENSIONS." Diss., The University of Arizona, 1987. http://hdl.handle.net/10150/184222.

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In this work, the method of streaming rays have been expanded to two spatial dimensions (three phase space dimensions, x, y, and s) and was used as a basis for the development of the electron transport computer code SR2D. The streaming ray algorithm is an Eulerian-Lagrangian hybrid. Electrons are followed as they traverse the medium along specified streaming rays. Fluxes, however, are computed at the centers of the fixed cells. The development of the SR2D code required the specification of a Lagrangian streaming ray network overlaying a three dimensional Eulerian grid. In contrast to its one d

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7

Paglia, Gianluca. "Determination of the structure of y-alumina using empirical and first principle calculations combined with supporting experiments." Thesis, Curtin University, 2004. http://hdl.handle.net/20.500.11937/2341.

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Aluminas have had some form of chemical and industrial use throughout history. For little over a century corundum (α-Al2O3) has been the most widely used and known of the aluminas. The emerging metastable aluminas, including the γ, δ, η, θ, κ, β, and χ polymorphs, have been growing in importance. In particular, γ-Al2O3 has received wide attention, with established use as a catalyst and catalyst support, and growing application in wear abrasives, structural composites, and as part of burner systems in miniature power supplies. It is also growing in importance as part of the feedstock for alumin

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8

Paglia, Gianluca. "Determination of the structure of y-alumina using empirical and first principle calculations combined with supporting experiments." Curtin University of Technology, Department of Applied Physics & Department of Applied Chemistry, 2004. http://espace.library.curtin.edu.au:80/R/?func=dbin-jump-full&object_id=14992.

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Aluminas have had some form of chemical and industrial use throughout history. For little over a century corundum (α-Al2O3) has been the most widely used and known of the aluminas. The emerging metastable aluminas, including the γ, δ, η, θ, κ, β, and χ polymorphs, have been growing in importance. In particular, γ-Al2O3 has received wide attention, with established use as a catalyst and catalyst support, and growing application in wear abrasives, structural composites, and as part of burner systems in miniature power supplies. It is also growing in importance as part of the feedstock for alumin

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9

Wu, Huayou. "Convergent close-coupling calculations of positron-helium collisions." Thesis, Wu, Huayou (2004) Convergent close-coupling calculations of positron-helium collisions. PhD thesis, Murdoch University, 2004. https://researchrepository.murdoch.edu.au/id/eprint/416/.

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The Convergent Close Coupling (CCC) method is applied, for the first time, to the scattering of positrons on helium. The helium target wave functions are obtained within various configuration interaction (CI) expansions. In the full CI expansion the two electrons are treated equally and thus all electron-electron correlations are taken into account. In the frozen-core (FC) approximation the CI expansion fixes one of the electrons to be described by a pure 1s orbital of He+, while maintaining the required singlet and triplet symmetries. Lastly, the multi-configuration (MC) approximation relaxes

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10

Wu, Huayou. "Convergent Close-Coupling Calculations of Positron-Helium Collisions." Murdoch University, 2004. http://wwwlib.murdoch.edu.au/adt/browse/view/adt-MU20050107.101745.

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The Convergent Close Coupling (CCC) method is applied, for the first time, to the scattering of positrons on helium. The helium target wave functions are obtained within various configuration interaction (CI) expansions. In the full CI expansion the two electrons are treated equally and thus all electron-electron correlations are taken into account. In the frozen-core (FC) approximation the CI expansion fixes one of the electrons to be described by a pure 1s orbital of He+, while maintaining the required singlet and triplet symmetries. Lastly, the multi-configuration (MC) approximation relaxes

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11

Lee, Zhongbo [Verfasser]. "Incorporate elastic and inelastic scattering into image calculation for low-voltage transmission electron microscope / Zhongbo Lee." Ulm : Universität Ulm. Fakultät für Naturwissenschaften, 2014. http://d-nb.info/1049987411/34.

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12

Heggarty, Jonathan W. "Parallel R-matrix computation." Thesis, Queen's University Belfast, 1999. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.287468.

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13

Jenkins, Anne Ceri. "Applications of spin-polarised relativistic scattering theory to the calculation of the electronic properties of heavy metals and alloys." Thesis, Keele University, 1997. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.321408.

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14

Venkatapathi, Sarankumar. "Temperature effects on the electronic properties of lead telluride (PbTe) and the influence of nano-size precipitates on the performance of thermoelectric materials. (SrTe precipitates in PbTe bulk material)." Thesis, Virginia Tech, 2013. http://hdl.handle.net/10919/51947.

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This study seeks to evaluate the temperature effects on the electronic properties of thermoelectric materials, using first principles Density Functional Theory (DFT) calculations by incorporating the temperature effects on structural properties of the material. Using the electronic properties attained, the charge carrier scattering relaxation times were determined. The effect of interface between PbTe and SrTe on the charge carrier mobility was studied by finding out the relative alignment of energy bands at the semiconductor heterojunction. The crystal shape of the SrTe precipitates in the Pb

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15

Brunet, Laurence. "Repartition spatiale de la densite electronique moleculaire en composantes atomiques in situ." Paris 6, 1987. http://www.theses.fr/1987PA066042.

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Modelisation originale de la densite electronique moleculaire par la superposition de densites atomiques spheriques, centrees sur les noyaux a partir de calculs d'orbitales moleculaires, avec trois invariants : la charge totale, le potentiel electrons-noyaux, le moment dipolaire. Description de la methode numerique pour determiner les densites associes aux atomes dans une base d'orbitales gaussiennes. Renseignements obtenus sur les modifications spatiales de la charge electronique par formation de liaisons, sur les facteurs de structure atomiques effectifs, apres transformation de fourier, en

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16

Allder, Anne. "Calculations of quasielastic electron scattering from nuclei at high momentum transfers." Thesis, 1992. https://thesis.library.caltech.edu/6648/1/Allder_ae_1992.pdf.

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I perform calculations of high momentum-transfer, quasielastic electron scattering from nuclei using a relativistic, microscopic model of the reaction that includes the effects of final-state interactions via an eikonal approximation and the effects of color transparency via a cross-section that varies along the exit path of the proton. The results of this microscopic calculation agree to 5% with a semiclassical estimate based on the mean free path of the proton in the nuclear medium. The overall uncertainty in the calculation is on the order of 10%; this figure is dominated by uncertainties

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17

Huang, Yunfei Polyzou Wayne Nicholas. "Front-form calculations of exchange currents in elastic electron-deuteron scattering." 2008. http://ir.uiowa.edu/etd/217.

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18

Jensen, Daniel Christian. "Monte Carlo calculation of electron multiple scattering in thin foils." Thesis, 1988. http://hdl.handle.net/10945/23320.

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The electron photon transport code ITS has many applications in the physics and medical industries. The code was originally intended for the use in determining particle transport in think materials. The code breaks down for very thin targets because the multiple scattering approximation used to determine the electron deflection angles for thin steps is inadequate. A method of correction has been developed by Tom Jordan and Joseph Mack which combines a small angle approximation theory to the multiple scattering and an explicit large angle treatment based on a Poisson distribution. This method h

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19

Robin, Abel. "Trajectory and channeling effects in the scattering of ions off a metal surface - Probing the electronic density corrugation at a surface by grazing axial ion channeling." Doctoral thesis, 2003. https://repositorium.ub.uni-osnabrueck.de/handle/urn:nbn:de:gbv:700-2003112519.

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The presented work investigates planar and axial channeling effects in ion-surface collisions. Therefore, energy loss and charge state distributions depending on the crystalline surface direction are recorded and analyzed. Several additional scattering parameters, like the primary energy, the outgoing charge state, the scattering angle, and the angle of incidence are varied. Multi-peak structures in the energy spectra are observed under axial channeling conditions and attributed to different trajectory classes. Using combined trajectory and inelastic energy loss calculations we are able to una

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20

Arifin, Mohammad. "Calculation of two-electron photoionization of metastable helium using the convergent close-coupling method." Master's thesis, 2000. http://hdl.handle.net/1885/147208.

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21

Kostadinova, Ofeliya. "Raman spectroscopic study and dynamic properties of chalcogenide glasses and liquids." Thesis, 2009. http://nemertes.lis.upatras.gr/jspui/handle/10889/4095.

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Chalcogenide glasses (ChGs) are produced by alloying together a “chalcogen” element” (S, Se or Te) with other elements, generally from group V (Sb, As) or group IV (Ge, Si) to form covalently bonded solids. A variety of stable non-crystalline materials can be prepared in bulk, fiber, and thin film forms using melt-quenching, vacuum deposition, and other less common techniques. Being amorphous semiconductors, ChGs exhibit a variety of photo-induced phenomena when irradiated with proper light and therefore find a wide range of technological applications (optical data storage, telecommunications,

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