La tesi estudia l'acoblament magnètic en sistemes de diferent dimensionalitat amb mètodes multireferencials. L’objectiu principal del treball és calcular propietats macroscòpiques, com la dependència de la susceptibilitat magnètica amb la temperatura, a partir de la constant d'intercanvi magnètic calculada, J. Aquest paràmetre microscòpic quantifica la interacció magnètica entre dos centres i es pot extreure per ajust de la corba de susceptibilitat experimental en sistemes finits però això no és possible en sistemes magnètics infinits com cadenes o capes 2D. L’estratègia del treball és calcular J en petits clusters i simular els sistemes estesos utilitzant aquesta J en l’Hamiltonià de Heisenberg en models de 8 a 16 centres. Amb l’espectre obtingut es construeixen les corbes de dependència tèrmica de la susceptibilitat magnètica que, comparades amb les experimentals, donen la possibilitat de quantificar les interaccions magnètiques dels materials estudiats a nivell microscòpic. S'han estudiat diferents tipus de sistemes estesos com cadenes i xarxes hexagonals, on els centres magnètics són ions de metalls de transició. / The thesis studies the magnetic coupling in systems of different dimensionality, by using multireference methods. The aim of the work is to determine macroscopic properties such as the thermal dependency of magnetic susceptibility, from the calculated magnetic exchange constant J. This microscopic parameter quantifies the magnetic interaction between two magnetic sites and can be extracted from the experimental susceptibility curve in finite systems. However this extraction is not possible in extended magnetic systems such as chains or 2D-layers. The strategy followed consists in calculating J in small clusters and in simulating the extended systems by introducing the calculated J in the Heisenberg Hamiltonian of 8 to 16 site models. From the spectrum, the thermal dependency of the magnetic susceptibility is the calculated. When compared to the experimental one, this curve gives a quantification of the magnetic interactions of the studied materials at the microscopic level. We have studied different types of extended systems such as chains and hexagonal lattices, where the magnetic sites are transition metal ions.

This thesis presents a Hamiltonian formulation of the electromagnetic fields in structured (inhomogeneous) media of arbitrary dimensionality, with arbitrary material dispersion and absorption consistent with causality. The method is based on an identification of the photonic component of the polariton modes of the system. Although the medium degrees of freedom are introduced in an oscillator model, only the macroscopic response of the medium appears in the derived eigenvalue equation for the polaritons. For both the discrete transparent-regime spectrum and the continuous absorptive-regime spectrum, standard codes for photonic modes in nonabsorptive systems can easily be leveraged to calculate polariton modes. Two applications of the theory are presented: pulse propagation and spontaneous parametric down-conversion (SPDC). In the propagation study, the dynamics of the nonfluctuating part of a classical-like pulse are expressed in terms of a Schr\"{o}dinger equation for a polariton effective field. The complex propagation parameters of that equation can be obtained from the same generalized dispersion surfaces typically used while neglecting absorption, without incurring additional computational complexity. As an example I characterize optical pulse propagation in an Au/MgF$_2$ metallodielectric stack, using the empirical response function, and elucidate the various roles of Bragg scattering, interband absorption and field expulsion. Further, I derive the Beer coefficient in causal structured media. The SPDC calculation is rigorous, captures the full 3D physics, and properly incorporates linear dispersion. I obtain an expression for the down-converted state, quantify pair-production properties, and characterize the scaling behavior of the SPDC energy. Dispersion affects the normalization of the polariton modes, and calculations of the down-conversion efficiency that neglect this can be off by 100$\%$ or more for common media regardless of geometry if the pump is near the band edge. Furthermore, I derive a 3D three-wave group velocity walkoff factor; due to the interplay of a topological property with a symmetry property, I show that even if down-conversion is into a narrow forward cone, neglect of the transverse walkoff can lead to an overestimate of the SPDC energy by orders of magnitude.

This thesis presents a Hamiltonian formulation of the electromagnetic fields in structured (inhomogeneous) media of arbitrary dimensionality, with arbitrary material dispersion and absorption consistent with causality. The method is based on an identification of the photonic component of the polariton modes of the system. Although the medium degrees of freedom are introduced in an oscillator model, only the macroscopic response of the medium appears in the derived eigenvalue equation for the polaritons. For both the discrete transparent-regime spectrum and the continuous absorptive-regime spectrum, standard codes for photonic modes in nonabsorptive systems can easily be leveraged to calculate polariton modes. Two applications of the theory are presented: pulse propagation and spontaneous parametric down-conversion (SPDC). In the propagation study, the dynamics of the nonfluctuating part of a classical-like pulse are expressed in terms of a Schr\"{o}dinger equation for a polariton effective field. The complex propagation parameters of that equation can be obtained from the same generalized dispersion surfaces typically used while neglecting absorption, without incurring additional computational complexity. As an example I characterize optical pulse propagation in an Au/MgF$_2$ metallodielectric stack, using the empirical response function, and elucidate the various roles of Bragg scattering, interband absorption and field expulsion. Further, I derive the Beer coefficient in causal structured media. The SPDC calculation is rigorous, captures the full 3D physics, and properly incorporates linear dispersion. I obtain an expression for the down-converted state, quantify pair-production properties, and characterize the scaling behavior of the SPDC energy. Dispersion affects the normalization of the polariton modes, and calculations of the down-conversion efficiency that neglect this can be off by 100$\%$ or more for common media regardless of geometry if the pump is near the band edge. Furthermore, I derive a 3D three-wave group velocity walkoff factor; due to the interplay of a topological property with a symmetry property, I show that even if down-conversion is into a narrow forward cone, neglect of the transverse walkoff can lead to an overestimate of the SPDC energy by orders of magnitude.

Superintegrable systems are classical and quantum Hamiltonian systems which enjoy much symmetry and structure that permit their solubility via analytic and even, algebraic means. The problem of classification of superintegrable systems can be approached by considering associated geometric structures. To this end, we invoke the invariant theory of Killing tensors (ITKT), and the recursive version of the Cartan method of moving frames to derive joint invariants. We are able to intrinsically characterise and interpret the arbitrary parameters appearing in the general form of the Smorodinsky-Winternitz superintegrable potential, where we determine that the more general the geometric structure associated with the SW potential is, the fewer arbitrary parameters it admits. Additionally, we classify the multi-separability of the Tremblay-Turbiner-Winternitz (TTW) system. We provide a proof that only for the case k = +/- 1 does the general TTW system admit orthogonal separation of variables with respect to both Cartesian and polar coordinates. / A study towards the classification of superintegrable systems defined on the Euclidean plane.

This thesis is devoted to a study of the effect of disorder on strongly correlated electrons. For non-interacting electrons, Anderson localization occurs if the amount of disorder is sufficient. For disorder-free systems, a Mott metal-insulator transition may occur if the electron-electron interactions are strong enough. The question we ask in this thesis is what happens when both disorder and interactions are present. We study the Anderson-Hubbard model, which is the simplest model to include both interactions and disorder, using a Gutzwiller variational wave function approach. We then study Anderson localization of electrons from the response of the Anderson-Hubbard Hamiltonian to an external magnetic field. An Aharonov-Bohm flux induces a persistent current in mesoscopic rings. Strong interactions result in two competing tendencies: they tend to suppress the current because of strong correlations, and they also screen the disorder potential and making the system more homogenous. We find that, for strongly interacting electrons, the localization length may be large, even though the current is suppressed by strong correlations. This unexpected result highlights how strongly correlated materials can be quiet di erent from weakly correlated ones. / Thesis (Ph.D, Physics, Engineering Physics and Astronomy) -- Queen's University, 2011-08-31 09:51:47.155

This thesis is devoted to two aspects of nonlinear PDEs which are fundamental for the understanding of the order and coherence observed in the underlying physical systems. These are symmetry properties and soliton solutions. We analyse these fundamental aspects for a number of models arising in various branches of theoretical physics and appli ed mathematics. We start with a fluid model of a plasma in the case of a general polytropic process. We propose a method of the analysis of unmagnetized travelling structures, alternative to the conventional formalism of Sagdeev 's pseudopotential. This method is then utilized to obtain the existence domain for compressive solitons and to establish the absence of rarefactive solitons and monotonic double layers in a two-component plasma. The second class of models under consideration arises in (2+1)-dimensional condensed matter physics. These are the Abelian gauge theories with Chern-Simons term, which are currently considered as candidates for the description of high-Te superconductivity and fra ctional quantum Hall effect. The emphasis here is on nonrelativistic theories. The standard model of a self-gravitating gas of nonrelativistic bosons coupled to the Chern-Simons gauge field is capable of describing asymptotically vanishing field configurations , such as lump-like solitons. We formulate an alternative model, which describes systems of repulsive particles with a background electric charge and allows to incorporate asymptotically nonvanishing configurations, such as condensate and its topological excitations. We demonstrate the absence of the condensate state in the standard nonrelativistic gauge theory and relate this fact to the inadequate Lagrangian formulation of its nongauged precursor. Using an appropriate modification of this Lagrangian as a basis for the gauge theory naturally leads to the new model. Reformulating it as a constrained Hamiltonian system allows us to find two self-duality limit s and construct a large variety of self-dual solutions. We demonstrate the equivalence of the model with the background charge and the standard model in the external magnetic field. Finally we discuss nontopological bubble solutions in Chem-Simons-Maxwell theories and demonstrate their absence in nonrelativistic theories. Finally, we consider a model of a nonhomogeneous nonlinear string. We continue the group theoretical classification of the string equations initiated by Ibragimov et al. and present their preliminary group classification with respect to a countable dimensional subalgebra of their equivalence algebra. This subalgebra is an extension of the 10-dimensional subalgebra considered by Ibragimov et al. Our main result here is a table of non-equivalent equations possessing an additional symmetry. / Thesis (Ph.D.)-University of Natal, 1994.

Some branches of quantum gravity demand the existence of higher dimensions and the addition of higher curvature terms to the gravitational Lagrangian in the form of the Lovelock polynomials. In this thesis we investigate some of the classical properties of Lovelock gravity. We first derive the Hamiltonian for Lovelock gravity and find that it takes the same form as in general relativity when written in terms of the Misner-Sharp mass function. We then minimally couple the action to matter fields to find Hamilton’s equations of motion. These are gauge fixed to be in the Painleve-Gullstrand co–ordinates and are well suited to numerical studies of black hole formation. We then use these equations of motion for the massless scalar field to study the formation of general relativistic black holes in four to eight dimensions and Einstein-Gauss-Bonnet black holes in five and six dimensions. We study Choptuik scaling, a phenomenon which relates the initial conditions of a matter distribution to the final observables of small black holes. In both higher dimensional general relativity and Einstein-Gauss-Bonnet gravity we confirm the existence of cusps in the mass scaling relation which had previously only been observed in four dimensional general relativity. In the general relativistic case we then calculate the critical exponents for four to eight dimensions and find agreement with previous calculations by Bland et al but not Sorkin et al who both worked in null co–ordinates. For the Einstein-Gauss-Bonnet case we find that the self-similar behaviour seen in the general relativistic case is destroyed. We find that it is replaced by some other form of scaling structure. In five dimensions we find that the period of the critical solution at the origin is proportional to roughly the cube root of the Gauss-Bonnet parameter and that there is evidence for a minimum black hole radius. In six dimensions we see evidence for a new type of scaling. We also show, from the equations of motion, that there is reason to expect qualitative differences between five and higher dimensions.

The fact that loosely bonded DNA bases could tolerate large structural fluctuations, form a dissipative environment for a charge traveling through the DNA. Nonlinear stochastic nature of structural fluctuations facilitates rich charge dynamics in DNA. We study the complex charge dynamics by solving a nonlinear, stochastic, coupled system of differential equations. Charge transfer between donor and acceptor in DNA occurs via different mechanisms depending on the distance between donor and acceptor. It changes from tunneling regime to a polaron assisted hopping regime depending on the donor-acceptor separation. Also we found that charge transport strongly depends on the feasibility of polaron formation. Hence it has complex dependence on temperature and charge-vibrations coupling strength. Mismatched base pairs, such as different conformations of the G・A mispair, cause only minor structural changes in the host DNA molecule, thereby making mispair recognition an arduous task. Electron transport in DNA that depends strongly on the hopping transfer integrals between the nearest base pairs, which in turn are affected by the presence of a mispair, might be an attractive approach in this regard. I report here on our investigations, via the I –V characteristics, of the effect of a mispair on the electrical properties of homogeneous and generic DNA molecules. The I –V characteristics of DNA were studied numerically within the double-stranded tight-binding model. The parameters of the tight-binding model, such as the transfer integrals and on-site energies, are determined from first-principles calculations. The changes in electrical current through the DNA chain due to the presence of a mispair depend on the conformation of the G・A mispair and are appreciable for DNA consisting of up to 90 base pairs. For homogeneous DNA sequences the current through DNA is suppressed and the strongest suppression is realized for the G(anti)・A(syn) conformation of the G・A mispair. For inhomogeneous (generic) DNA molecules, the mispair result can be either suppression or an enhancement of the current, depending on the type of mispairs and actual DNA sequence.

This thesis presents a geometric approach to studying kinematics, dynamics and controls of open-chain multi-body systems with non-zero momentum and multi-degree-of-freedom joints subject to holonomic and nonholonomic constraints. Some examples of such systems appear in space robotics, where mobile and free-base manipulators are developed. The proposed approach introduces a unified framework for considering holonomic and nonholonomic, multi-degree-of-freedom joints through: (i) generalization of the product of exponentials formula for kinematics, and (ii) aggregation of the dynamical reduction theories, using differential geometry. Further, this framework paves the ground for the input-output linearization and controller design for concurrent trajectory tracking of base-manipulator(s). In terms of kinematics, displacement subgroups are introduced, whose relative configuration manifolds are Lie groups and they are parametrized using the exponential map. Consequently, the product of exponentials formula for forward and differential kinematics is generalized to include multi-degree-of-freedom joints and nonholonomic constraints in open-chain multi-body systems. As for dynamics, it is observed that the action of the relative configuration manifold corresponding to the first joint of an open-chain multi-body system leaves Hamilton's equation invariant. Using the symplectic reduction theorem, the dynamical equations of such systems with constant momentum (not necessarily zero) are formulated in the reduced phase space, which present the system dynamics based on the internal parameters of the system. In the nonholonomic case, a three-step reduction process is presented for nonholonomic Hamiltonian mechanical systems. The Chaplygin reduction theorem eliminates the nonholonomic constraints in the first step, and an almost symplectic reduction procedure in the unconstrained phase space further reduces the dynamical equations. Consequently, the proposed approach is used to reduce the dynamical equations of nonholonomic open-chain multi-body systems. Regarding the controls, it is shown that a generic free-base, holonomic or nonholonomic open-chain multi-body system is input-output linearizable in the reduced phase space. As a result, a feed-forward servo control law is proposed to concurrently control the base and the extremities of such systems. It is shown that the closed-loop system is exponentially stable, using a proper Lyapunov function. In each chapter of the thesis, the developed concepts are illustrated through various case studies.

Some branches of quantum gravity demand the existence of higher dimensions and the addition of higher curvature terms to the gravitational Lagrangian in the form of the Lovelock polynomials. In this thesis we investigate some of the classical properties of Lovelock gravity. We first derive the Hamiltonian for Lovelock gravity and find that it takes the same form as in general relativity when written in terms of the Misner-Sharp mass function. We then minimally couple the action to matter fields to find Hamilton’s equations of motion. These are gauge fixed to be in the Painleve-Gullstrand co–ordinates and are well suited to numerical studies of black hole formation. We then use these equations of motion for the massless scalar field to study the formation of general relativistic black holes in four to eight dimensions and Einstein-Gauss-Bonnet black holes in five and six dimensions. We study Choptuik scaling, a phenomenon which relates the initial conditions of a matter distribution to the final observables of small black holes. In both higher dimensional general relativity and Einstein-Gauss-Bonnet gravity we confirm the existence of cusps in the mass scaling relation which had previously only been observed in four dimensional general relativity. In the general relativistic case we then calculate the critical exponents for four to eight dimensions and find agreement with previous calculations by Bland et al but not Sorkin et al who both worked in null co–ordinates. For the Einstein-Gauss-Bonnet case we find that the self-similar behaviour seen in the general relativistic case is destroyed. We find that it is replaced by some other form of scaling structure. In five dimensions we find that the period of the critical solution at the origin is proportional to roughly the cube root of the Gauss-Bonnet parameter and that there is evidence for a minimum black hole radius. In six dimensions we see evidence for a new type of scaling. We also show, from the equations of motion, that there is reason to expect qualitative differences between five and higher dimensions.