The aim of this thesis is to introduce a general framework for what is informally referred to as finite-time dynamics. Within this framework, we study hyperbolicity of reference trajectories, existence of invariant manifolds as well as normal hyperbolicity of invariant manifolds called Lagrangian Coherent Structures. We focus on a simple derivation of analytical results. At the same time, our approach together with the analytical results has strong impact on the numerical implementation by providing calculable expressions for known functions and continuity results that ensure robust computation. The main results of the thesis are robustness of finite-time hyperbolicity in a very general setting, finite-time analogues to classical linearization theorems, an approach to the computation of so-called growth rates and the generalization of the variational approach to Lagrangian Coherent Structures.

This thesis deals with out-of-equilibrium transport phenomena in strongly correlated low-dimensional fermionic systems, with special emphasis on π-conjugated molecular materials. The focus of this work is to study real-time dynamics of spin and charge transport in these systems in order to investigate non-equilibrium transport in single-molecule electronic and spintronic devices. Chapter 1 describes the electronic structure and dynamics of strongly correlated fermionic systems in general, and in one-dimension, in particular. For this purpose, effective low-energy model Hamiltonians (used in this work) are discussed. Whenever applicable, approximate analytical and numerical methods commonly used in the literature to deal with these model Hamiltonians, are outlined. In the context of one-dimensional strongly correlated fermionic systems, analytical techniques like the Bethe ansatz and bosonization, and numerical procedures like exact diagonalization and DMRG, used for solving finite systems, are discussed in detail. Chapter 2 provides an overview of the different zero-temperature (T = 0) time-dependent DMRG algorithms, which have been used to study out-of-equilibrium time-dependent phenomena in low-dimensional strongly correlated systems. In Chapter 3 we employ the time-dependent DMRG algorithm proposed by Luo, Xiang and Wang [Phys. Rev. Lett. 91, 049701 (2003)], to study the role of dimerization and electronic correlations on the dynamics of spin-charge separation. We employ the H¨uckel and Hubbard models for our studies. We have modified the algorithm proposed by Luo et. al to overcome some of its limitations. Chapter 4 presents a generalized adaptive time-dependent density matrix renormalization group (DMRG) scheme developed by us, called the Double Time Window Targeting (DTWT) technique, which is capable of giving accurate results with lesser computational resources than required by the existing methods. This procedure originates from the amalgamation of the features of pace keeping DMRG algorithm, first proposed by Luo et. al, [Phys.Rev. Lett. 91, 049701 (2003)], and the time-step targeting (TST) algorithm by Feiguin and White [Phys. Rev. B 72, 020404 (2005)]. In chapter 5 we apply the Double Time Window Targeting (DTWT) technique, which was discussed in the previous chapter, for studying real-time quantum dynamics of spin-charge separation in π-conjugated polymers. We employ the Pariser-Parr-Pople (PPP) model which has long-range electron-electron interactions. For investigating real-time dynamics of spin and charge transport, we inject a hole at one end of polyene chains of different lengths and study the temporal evolution of its spin and charge degrees of freedom, using the DTWT td-DMRG algorithm. Chapter 6 we investigate the effect of terminal substituents on the dynamics of spin and charge transport in donor-acceptor substituted polyenes (D- (CH)x- A) chains, also known as push-pull polyenes. We employ long-range correlated model Hamiltonian for the D- (CH)x- A system and, real-time DMRG dynamics for time propagating the wave packet obtained by injecting a hole at a terminal site in the ground state of the system. Our studies reveal that the end groups do not affect the spin and charge velocities in any significant way, but change the amount of charge transported. We have compared these with the polymethineimine (CN)x system in which besides electron affinities, the nature of pz orbitals in conjugation also alternate from site to site. Chapter 7 presents our investigation on the effect of static electron-phonon coupling (dimerization) on the dynamics of spin-charge separation in particular, and transport in general, in π-conjugated polyene chains. The polyenes are modeled by the Pariser-Parr-Pople Hamiltonian, having long-range electron-electron correlations. Our studies reveal that spin and charge velocities depend both on the chain length and dimerization. The spin and charge velocities increase as dimerization increases, but the amount of charge and spin transported along the chain decrease with enhancement in dimerization. Furthermore, in the range 0.3≤ δ≤0.5, it is observed that the dynamics of spin-charge separation becomes complicated, and the charge degree of freedom is affected more by electron-phonon coupling compared to the spin degree of freedom.

Cette thèse porte sur l’étude des propriétés qualitatives des solutions des équations des ondes et de la chaleur semi-linéaires. Les résultats qui y sont décrits sont les suivants. Les deux premiers concernent l’existence et la description de dynamiques explosives de concentration en temps fini de l’état stationnaire à symétrie radiale dans le régime dit énergie surcritique ; en outre, pour l’équation des ondes la stabilité de ces phénomènes est étudiée dans le cas radial, et pour l’équation de la chaleur le cas plus général d’un domaine borné avec conditions de Dirichlet au bord est considéré. Le troisième porte sur la classification des dynamiques possibles près de l’état stationnaire radial pour l’équation de la chaleur dans le régime dit énergie critique, trois scénarios ayant lieu : la stabilisation, l’instabilité par explosion auto-similaire à profil explosif constant en espace, et l’instabilité par dissipation vers la solution nulle. Enfin, le quatrième a pour objet l’existence et la stabilité de profils explosifs auto-similaires non constants en espace pour l’équation de la chaleur dans le cas énergie surcritique / This thesis is devoted to the study of qualitative properties for solutions to the semilinear heat and wave equations. The results that are described are the following. The first two concern the existence and description of blow-up dynamics in which the radially symmetric stationary state is concentrated in finite time in the so-called energy supercritical regime; in addition, for the wave equation the stability of these phenomena is studied in the radial case, and for the heat equation the more general case of a bounded domain with Dirichlet condition at the boundary is considered. The third one deals with the classification of the possible dynamics near the radial stationary state for the heat equation in the so-called energy critical regime, where three scenarii occur: stabilization, instability by blow-up with the constant in space blow-up profile, and instability by dissipation to the null solution. Eventually, in the forth result we investigate the existence and the stability of self-similar blow-up profiles that are not constant in space, for the heat equation in the energy supercritical case

Une écoulement de cavité ouverte tridimensionnel saturé non-linéairement est étudié par une approche spatio-temporelle utilisant des données expérimentales résolues à la fois en temps et en espace. Ces données ont été acquises dans deux plans longitudinaux, respectivement perpendiculaire et parallèle au fond de la cavité, dans le régime incompressible, en air ou en eau. À l'aide de multiples méthodes de décompositions globales en temps et en espace, les ondes et les structures cohérentes constituant la dynamique dans le régime permanent et pouvant être produites par des mécanismes d'instabilités différents sont identifiées et caractérisées.Tout d'abord, on approfondit la compréhension de l'effet des non-linéarités sur les oscillations auto-entretenues de la couche cisaillée impactante et leurs interactions avec l'écoulement intra-cavitaire. En particulier, l'analyse spectrale d'une portion de l'espace des paramètres permet de mettre en évidence un lien entre l'accrochage des modes d'oscillations auto-entretenues, la modulation d'amplitude au niveau du coin impactant et l'intermittence de ces modes. De plus, l'observation des basses fréquences intéragissant fortement avec les oscillations de la couche de mélange démontre l'existence d'une dynamique tridimensionnelle intrinsèque à l'intérieur de la cavité malgré les perturbations causées par la couche cisaillée instable.Les analyses de stabilité linéaire ont montré que des instabilités centrifuges peuvent résulter de la courbure induite par la recirculation. L'étude de la dynamique après saturation révèle de nombreuses structures cohérentes dont les propriétés sont quantifiées et classées en s'appuyant sur la forme des instabilités sous-jacentes: des ondes transverses progressives ou stationnaires. Enfin, certains comportements des structures saturées suggèrent que les mécanismes non-linéaires gouvernant le développement de l'écoulement une fois sorti du régime linéaire pourraient être étudiés dans le cadre des équations d'amplitude. / A space-time study of a three-dimensional nonlinearly saturated open cavity flow is undertaken using time-resolved space-extended experimental data, acquired in both cross-stream and spanwise planes, in incompressible air and water flows. Through use of multiple modal decompositions in time and space, the waves and coherent structures composing the dynamics in the permanent regime are identified and characterised with respect to the instabilities arising in the flow.Effects of nonlinearities are thoroughly investigated in the impinging shear layer, regarding the self-sustained oscillations and their interactions with the inner-flow. In particular, the analysis conducted throughout the parameter space enlightens a global connection between the selection of locked-on modes and the amplitude modulation at the impingement and the mode switching phenomenon. Furthermore, observations of low frequencies interacting drastically with the shear layer flapping motion underline the existence of intrinsic coherent three-dimensional dynamics inside the cavity in spite of the shear layer disturbances.Linear stability analyses have demonstrated that centrifugal instabilities are at play along the main recirculation. The present investigation of the dynamics after onset of the saturation reveals numerous space-time coherent structures, whose properties are quantified and classified with respect to the underlying instabilities: travelling or standing spanwise waves. Finally, some patterns exhibited by the saturated structures suggest that the nonlinear mechanisms governing the mutations of the flow after the linear regime could gain more insight in the frame of amplitude equations.